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7<meta name="csrf-param" content="authenticity_token" /> 8<meta name="csrf-token" content="yuXvuI-7a-9LXMQ5Ut17cP9SgJDa5PGv_bwabmGk5efjns5kh9Be9S21OUw4q5NFAvP_mdCbiYtbknsO08K4dw" /></head><body class="entries-c index-a" data-a="index" data-c="entries" data-spy="scroll" data-target=".sidenav"><header><nav class="navbar navbar-default navbar-fixed-top"><div class="container-fluid"><div class="navbar-header"><button class="navbar-toggle" data-target="#main-nav" data-toggle="collapse" type="button"><span class="sr-only">Toggle navigation</span><span class="icon-bar"></span><span class="icon-bar"></span><span class="icon-bar"></span></button><a class="navbar-brand" data-no-turbolink="true" href="/"><img class="navlogo" src="/assets/navlogo-2b9b1dff68a87a0e062659d543888d1163ab33ae33a682fdcd22ba6e2c180328.png" /></a></div><div class="collapse navbar-collapse" id="main-nav"><ul class="nav navbar-nav"><li><a data-no-turbolink="true" href="/entries">Compounds</a></li><li><a href="/food_sources">Foods</a></li><li class="dropdown"><a class="dropdown-toggle" data-toggle="dropdown" href="#">Search <b class="caret"></b></a><ul class="dropdown-menu"><li class="dropdown-submenu"><a href="#" tabindex="-1">Basic Search</a><ul class="dropdown-menu"><li><a data-no-turbolink="true" href="/search/mass?resource=entry">Mass Search</a></li><li><a data-no-turbolink="true" href="/search/formula">Formula Search</a></li><li><a data-no-turbolink="true" href="/search/compounds">Compound Search</a></li><li><a data-no-turbolink="true" href="/search/foods">Food Search</a></li><li><a data-no-turbolink="true" href="/search/biomarkers">Biomarker Search</a></li></ul></li><li><a data-no-turbolink="true" href="/structures/search/entry/structure">
8Structure Search</a></li><li><a data-no-turbolink="true" href="/unearth/advanced/entries">Advanced Search</a></li><li><a data-turbolinks="false" href="/spectra/ms/search">LC-MS Search</a></li><li><a data-turbolinks="false" href="/spectra/ms_ms/search">LC-MS/MS Search</a></li><li><a data-turbolinks="false" href="/spectra/c_ms/search">GC-MS Search</a></li></ul></li><li><a href="/about">About</a></li><li><a href="/contact">Contact Us</a></li></ul><p class="beta-warning"><strong>Version 1.4</strong></p></div></div></nav></header><main class="container-fluid" role="main"><div class="page-header"><div class="actions"><a class="primary" href="/entries/classification"><span class="glyphicon glyphicon-th-list"> </span> Browse Classification</a></div><h1>Compounds</h1></div><ul class="nav nav-tabs toggle-row-display" id="browsers"><li class="entries index"><a class="toggle-row-display" data-show="all" href="#show-all">All</a></li><li class="entries precursors"><a class="toggle-row-display" data-show="precursors" href="#show-precursors">Food Phytochemicals</a></li><li class="entries known_metabolites"><a class="toggle-row-display" data-show="metabolites" href="#show-metabolites">Known Metabolites</a></li><li class="entries predicted_metabolites"><a class="toggle-row-display" data-show="predicted" href="#show-predicted">Predicted Metabolites</a></li><li class="entries precursors_and_metabolites"><a class="toggle-row-display" data-show="both" href="#show-both">Predicted and Known</a></li><li class="entries selected_entries"><a class="toggle-row-display" data-show="selected" href="#show-selected">Selected <strong id='select-counter'></strong></a></li><li class="entries biomarkers"><a class="toggle-row-display" data-show="biomarkers" href="#show-biomarkers">Intake Biomarkers</a></li></ul><div class="entry-table"><table class="datatable" id="entries"><thead><tr><th class="no-sort no-export select-row"></th><th class="chemical-name">Chemical Name</th><th class="toggleable">Systematic name</th><th class="toggleable start-hidden">Identifier</th><th class="toggleable start-hidden">Primary key</th><th class="toggleable">Monoisotopic mass</th><th class="toggleable no-sort">Formula</th><th class="toggleable start-hidden">Phytochemical family</th><th class="toggleable start-hidden">Phytochemical class</th><th class="toggleable start-hidden">Phytochemical subclass</th><th class="toggleable start-hidden">Metabolite family</th><th class="toggleable start-hidden">Metabolite class</th><th class="toggleable start-hidden">Metabolite subclass</th><th class="toggleable start-hidden">Synonyms</th><th class="toggleable no-sort no-export">Structure</th><th class="toggleable start-hidden no-sort">InChI Key</th><th class="toggleable start-hidden">CAS Number</th><th class="toggleable start-hidden">IUPAC Name</th><th class="toggleable start-hidden">Average mass</th><th class="toggleable start-hidden">Solubility</th><th class="toggleable start-hidden">Predicted alogps logp</th><th class="toggleable start-hidden">Predicted alogps logs</th><th class="toggleable start-hidden">Inchi</th><th class="toggleable start-hidden">Smiles</th><th class="toggleable start-hidden">Pka strongest basic</th><th class="toggleable start-hidden">Pka strongest acidic</th><th class="toggleable start-hidden">Food sources</th><th class="toggleable start-hidden">Metabolites / Precursor</th><th class="toggleable start-hidden">Intake biomarkers</th><th class="no-sort no-export"></th></tr></thead><tbody><tr data-biomarker="none" data-kind="precursor" id="1"><td></td><td><a href="/entries/PHUB000001">16-O-Methylcafestol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000001</td><td>1</td><td>330.219494826</td><td>C<sub>21</sub>H<sub>30</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000001/image.svg" src="" /></td><td>BDVVNPOGDNWUOI-VVHJISIGSA-N</td><td></td><td>[(1S,4S,12S,13R,16S,17R)-17-methoxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6-dien-17-yl]methanol</td><td>330.468</td><td>7.30e-03 g/l</td><td>3.64</td><td>-4.66</td><td>InChI=1S/C21H30O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(12-20,13-22)23-2/h7,10,14,16,18,22H,3-6,8-9,11-13H2,1-2H3/t14-,16+,18-,19+,20-,21-/m0/s1</td><td>CO[C@]1(CO)C[C@]23C[C@@H]1CC[C@H]2[C@]1(C)CCC2=C(C=CO2)[C@H]1CC3</td><td>-2.729103849493244</td><td>14.358205957739798</td><td><a href="/food_sources/39">Coffee</a> / <a href="/food_sources/372">Green robusta coffee</a> / <a href="/food_sources/346">Roasted coffee</a> / <a href="/food_sources/131">Robusta coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000001">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2"><td></td><td><a href="/entries/PHUB000002">3'-O-beta-D-glucopyranosyl-2'-O-isovaleryl-2beta-(2-desoxy-atractyligenin)-beta-D-glucopyranoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000002</td><td>2</td><td>728.361921103</td><td>C<sub>36</sub>H<sub>56</sub>O<sub>15</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000002/image.svg" src="" /></td><td>DOYDQNQLCHBFDK-KSEREDHQSA-N</td><td></td><td>(1R,4R,5R,7R,9R,10S,13R,15S)-15-hydroxy-7-{[(3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid</td><td>728.829</td><td>1.16e+00 g/l</td><td>-0.08</td><td>-2.80</td><td>InChI=1S/C36H56O15/c1-15(2)9-24(39)50-30-29(51-33-28(43)27(42)25(40)21(13-37)48-33)26(41)22(14-38)49-34(30)47-18-10-19(32(45)46)20-7-8-36-11-17(16(3)31(36)44)5-6-23(36)35(20,4)12-18/h15,17-23,25-31,33-34,37-38,40-44H,3,5-14H2,1-2,4H3,(H,45,46)/t17-,18-,19-,20-,21-,22-,23+,25-,26-,27+,28-,29+,30-,31+,33+,34?,35-,36-/m1/s1</td><td>[H][C@]12C[C@@]3(CC[C@]4([H])[C@@H](C[C@H](C[C@@]4(C)[C@]3([H])CC1)OC1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1OC(=O)CC(C)C)C(O)=O)[C@@H](O)C2=C</td><td>-0.7380456232170344</td><td>4.043988347402118</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000002">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3"><td></td><td><a href="/entries/PHUB000003">Atractyligenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000003</td><td>3</td><td>320.198759382</td><td>C<sub>19</sub>H<sub>28</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,15-Dihydroxy-18-nor-16-kauren-19-oic acid</td><td class="structure"><img data-src="/structures/PHUB000003/image.svg" src="" /></td><td>YRHWUYVCCPXYMB-JIMOHSCASA-N</td><td>10391-47-6</td><td>(1R,4R,5R,7R,9R,10S,13R,15S)-7,15-dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid</td><td>320.429</td><td>7.44e-01 g/l</td><td>1.80</td><td>-2.63</td><td>InChI=1S/C19H28O4/c1-10-11-3-4-15-18(2)9-12(20)7-13(17(22)23)14(18)5-6-19(15,8-11)16(10)21/h11-16,20-21H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13-,14-,15+,16+,18-,19-/m1/s1</td><td>
8[H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)C[C@H](O)C[C@H]2C(O)=O)C(=C)[C@@H]4O</td><td>-0.7380403608206755</td><td>4.586914603255659</td><td><a href="/food_sources/39">Coffee</a> / <a href="/food_sources/131">Robusta coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000003">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="4"><td></td><td><a href="/entries/PHUB000004">Atractyligenin (2-O-beta-glucopyranosyl-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000004</td><td>4</td><td>480.272318248</td><td>C<sub>26</sub>H<sub>40</sub>O<sub>8</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000004/image.svg" src="" /></td><td>YEAZCNLETNYACR-DRBRKHBCSA-N</td><td></td><td>(1R,4R,5R,7R,9R,10S,13R,15S)-7-{[(3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy}-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid</td><td>480.598</td><td>1.02e+00 g/l</td><td>0.46</td><td>-2.67</td><td>InChI=1S/C26H40O8/c1-12-14-4-5-19-25(3)10-15(33-24-21(29)13(2)20(28)18(11-27)34-24)8-16(23(31)32)17(25)6-7-26(19,9-14)22(12)30/h13-22,24,27-30H,1,4-11H2,2-3H3,(H,31,32)/t13-,14+,15+,16+,17+,18+,19-,20-,21+,22-,24?,25+,26+/m0/s1</td><td>[H][C@]12C[C@@]3(CC[C@]4([H])[C@@H](C[C@H](C[C@@]4(C)[C@]3([H])CC1)OC1O[C@H](CO)[C@@H](O)[C@H](C)[C@H]1O)C(O)=O)[C@@H](O)C2=C</td><td>-0.7378413365816456</td><td>4.331855044029375</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000004">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="5"><td></td><td><a href="/entries/PHUB000005">Atractyloside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000005</td><td>5</td><td>726.222727749</td><td>C<sub>30</sub>H<sub>46</sub>O<sub>16</sub>S<sub>2</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Attrattiloside; Potassium atractylate</td><td class="structure"><img data-src="/structures/PHUB000005/image.svg" src="" /></td><td>FYQXODZRNSCOTR-UHFFFAOYSA-N</td><td>17754-44-8</td><td></td><td>726.8</td><td></td><td></td><td></td><td>InChI=1S/C30H46O16S2/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41)</td><td>CC(C)CC(=O)OC1C(OC2CC(C3CCC45CC(CCC4C3(C)C2)C(=C)C5O)C(O)=O)OC(CO)C(OS(O)(=O)=O)C1OS(O)(=O)=O</td><td></td><td></td><td><a href="/food_sources/39">Coffee</a> / <a href="/food_sources/346">Roasted coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000005">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="6"><td></td><td><a href="/entries/PHUB000006">Cafestol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000006</td><td>6</td><td>316.203844762</td><td>C<sub>20</sub>H<sub>28</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(â)-cafestol; Cafesterol</td><td class="structure"><img data-src="/structures/PHUB000006/image.svg" src="" /></td><td>DNJVYWXIDISQRD-JTSSGKSMSA-N</td><td>469-83-0</td><td>(1S,4S,12S,13R,16S,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6-dien-17-ol</td><td>316.441</td><td>1.80e-02 g/l</td><td>3.04</td><td>-4.24</td><td>InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15+,17-,18+,19-,20-/m0/s1</td><td>C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)C3</td><td>-2.7454146697920976</td><td>13.685426593369503</td><td><a href="/food_sources/173">Arabica coffee</a> / <a href="/food_sources/373">Arabica coffee oil</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/131">Robusta coffee</a></td><td><a href="/entries/PHUB000913">Cafestol (2-hydroxy-, 3,4-epoxide, glutathione conjugate)</a> / <a href="/entries/PHUB000914">Cafestol (2-hydroxy-)</a> / <a href="/entries/PHUB000915">Cafestol (2-hydroxy-,3,4-epoxide)</a> / <a href="/entries/PHUB000916">Cafestol glucuronide</a> / <a href="/entries/PHUB000917">Cafestol sulfate</a> / <a href="/entries/PHUB000006">Cafestol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000006">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="7"><td></td><td><a href="/entries/PHUB000007">Carboxyatractyloside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000007</td><td>7</td><td>770.212556989</td><td>C<sub>31</sub>H<sub>46</sub>O<sub>18</sub>S<sub>2</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000007/image.svg" src="" /></td><td>AQFATIOBERWBDY-LNQSNDDKSA-N</td><td></td><td>(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-{[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]-4,5-bis(sulfooxy)oxan-2-yl]oxy}-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5,5-dicarboxylic acid</td><td>770.81</td><td>2.39e+00 g/l</td><td>-0.44</td><td>-2.51</td><td>InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1</td><td>CC(C)CC(=O)O[C@H]1[C@H](O[C@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(O)=O)C(O)=O)[C@@H](O)C5=C)O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O</td><td>-0.6863997970983317</td><td>-2.2947555587453943</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000007">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="8"><td></td><td><a href="/entries/PHUB000008">Carnosol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000008</td><td>8</td><td>330.183109317</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Picrosalvin</td><td class="structure"><img data-src="/structures/PHUB000008/image.svg" src="" /></td><td>XUSYGBPHQBWGAD-PJSUUKDQSA-N</td><td></td><td></td><td>330.424</td><td>3.95e-02 g/l</td><td>4.35</td><td>-3.92</td><td>InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1</td><td>CC(C)C1=CC2=C(C(O)=C1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O</td><td></td><td></td><td><a href="/food_sources/376">Basil</a> / <a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/134">Rosemary</a> / <a href="/food_sources/374">Rosemary tea</a> / <a href="/food_sources/378">White sage (Salvia apiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000008">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="9"><td></td><td><a href="/entries/PHUB000009">Ineketone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000009</td><td>9</td><td>318.219494826</td><td>C<sub>20</sub>H<sub>30</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000009/image.svg" src="" /></td><td>BWRPYSJNBVBIRP-FLFBIERCSA-N</td><td></td><td></td><td>318.457</td><td>4.91e-02 g/l</td><td>2.71</td><td>-3.81</td><td>InChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3/t15-,16-,18-,19+,20+/m0/s1</td><td>CC1(C)CCC[C@H]2[C@]3(C)[C@@H](O)C[C@@](C)(C=C)C=C3C(=O)C[C@]12O</td><td></td><td></td><td><a href="/food_sources/130">Rice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000009">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="10"><td></td><td><a href="/entries/PHUB000010">Kahweol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000010</td><td>10</td><td>314.188194697</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000010/image.svg" src="" /></td><td>JEKMKNDURXDJAD-HWUKTEKMSA-N</td><td>6894-43-5</td><td>(1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6,10-trien-17-ol</td><td>314.425</td><td>2.01e-02 g/l</td><td>2.97</td><td>-4.19</td><td>InChI=1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1</td><td>C[C@@]12C=CC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3</td><td>-2.7926234671860763</td><td>13.685413916695513</td><td><a href="/food_sources/173">Arabica coffee</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/131">Robusta coffee</a></td><td><a href="/entries/PHUB000918">Kahweol glucuronide</a> / <a href="/entries/PHUB000919">Kahweol sulfate</a> / <a href="/entries/PHUB000010">Kahweol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000010">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="11"><td></td><td><a href="/entries/PHUB000011">Asparagoside A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000011</td><td>11</td><td>578.381868699</td><td>C<sub>33</sub>H<sub>54</sub>O<sub>8</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3beta,5beta,25S)-Spirostan-3-yl beta-D-glucopyranoside; Sarsasaponin monoglucoside</td><td class="structure"><img data-src="/structures/PHUB000011/image.svg" src="" /></td><td>ZNEIIZNXGCIAAL-TXUJEBAWSA-N</td><td></td><td>(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]oxy]oxane-3,4,5-triol</td><td>578.787</td><td>5.50e-03 g/l</td><td>2.79</td><td>-5.02</td><td>InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1</td><td>[H]OC[C@@]1([H])O[C@@]([H])(O[C@@]2([H])CC[C@@]3(C)[C@]([H])(CC[C@@]4([H])[C@]5([H])C[C@]6([H])O[C@]7(CC[C@]([H])(C)CO7)[C@@]([H])(C)[C@]6([H])[C@@]5(C)CC[C@]34[H])C2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]</td><td>-2.981083541525649</td><td>12.210576079649135</td><td><a href="/food_sources/9">Asparagus</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000011">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="12"><td></td><td><a href="/entries/PHUB000012">Betulin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000012</td><td>12</td><td>442.38108085</td><td>C<sub>30</sub>H<sub>50</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Miscellaneous terpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000012/image.svg" src="" /></td><td>FVWJYYTZTCVBKE-ROUWMTJPSA-N</td><td></td><td>(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol</td><td>442.728</td><td>3.21e-04 g/l</td><td>5.34</td><td>-6.14</td><td>InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1</td><td>[H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C</td><td>-0.6518587038951265</td><td>18.849606698531858</td><td><a href="/food_sources/18">Broad bean</a> / <a href="/food_sources/43">Common hazelnut</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000012">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="13"><td></td><td><a href="/entries/PHUB000013">Capsicoside A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000013</td><td>13</td><td>1422.651465113</td><td>C<sub>63</sub>H<sub>106</sub>O<sub>35</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000013/image.svg" src="" /></td><td>WUSQCDWYDVFLMN-CIHABUNJSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6S)-6-{[(2R,3R,4S,5R,6R)-2-{[(1R,2S,4S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-6,15-dihydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-16-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>1423.506</td><td>1.59e+01 g/l</td><td>-1.70</td><td>-1.95</td><td>InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)7-10-63(85)22(2)36-29(98-63)12-26-24-6-5-23-11-28(27(70)13-62(23,4)25(24)8-9-61(26,36)3)87-59-50(84)52(40(74)33(17-67)91-59)95-58-49(83)45(79)51(35(19-69)93-58)94
8-60-54(97-57-48(82)44(78)39(73)32(16-66)90-57)53(41(75)34(18-68)92-60)96-56-47(81)43(77)38(72)31(15-65)89-56/h21-60,64-85H,5-20H2,1-4H3/t21-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48-,49-,50-,51+,52+,53+,54-,55-,56+,57+,58+,59-,60+,61+,62+,63-/m1/s1</td><td>C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.678622843774449</td><td>11.422696678496772</td><td><a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/105">Paprika</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000013">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="14"><td></td><td><a href="/entries/PHUB000014">Cucurbitacin C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000014</td><td>14</td><td>560.334918506</td><td>C<sub>32</sub>H<sub>48</sub>O<sub>8</sub></td><td>Terpenoids</td><td>Miscellaneous terpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000014/image.svg" src="" /></td><td>DGIGXLXLGBAJJN-TUOUHCSQSA-N</td><td></td><td>(3E,6R)-6-[(1R,2R,3aS,3bS,7S,9aR,9bR,11aR)-2,7-dihydroxy-9b-(hydroxymethyl)-3a,6,6,11a-tetramethyl-10-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate</td><td>560.728</td><td>1.07e-02 g/l</td><td>3.19</td><td>-4.72</td><td>InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1</td><td>[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C)[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O</td><td>-0.8705403425165059</td><td>12.938366656363076</td><td><a href="/food_sources/56">Cucumber</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000014">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="15"><td></td><td><a href="/entries/PHUB000015">Nuatigenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000015</td><td>15</td><td>430.308309832</td><td>C<sub>27</sub>H<sub>42</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000015/image.svg" src="" /></td><td>NELZMZLNTYWIPD-MLBSDYKWSA-N</td><td></td><td>(1'S,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S)-5-(hydroxymethyl)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-16'-ol</td><td>430.629</td><td>4.54e-03 g/l</td><td>3.20</td><td>-4.98</td><td>InChI=1S/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1</td><td>[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@](C)(CO)O1)O2</td><td>
8-1.3963371594677016</td><td>14.369273629173774</td><td><a href="/food_sources/100">Oat</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000015">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="16"><td></td><td><a href="/entries/PHUB000016">Officinalisnin I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000016</td><td>16</td><td>920.498080227</td><td>C<sub>45</sub>H<sub>76</sub>O<sub>19</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000016/image.svg" src="" /></td><td>SORUXVRKWOHYEO-YGNOLRTQSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-{[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-16-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>921.084</td><td>7.46e-01 g/l</td><td>-0.49</td><td>-3.09</td><td>InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45-/m1/s1</td><td>C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.648377595753652</td><td>11.557459716650856</td><td><a href="/food_sources/9">Asparagus</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000016">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="17"><td></td><td><a href="/entries/PHUB000017">Sarsasapogenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000017</td><td>17</td><td>416.329045277</td><td>C<sub>27</sub>H<sub>44</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Parigenin</td><td class="structure"><img data-src="/structures/PHUB000017/image.svg" src="" /></td><td>GMBQZIIUCVWOCD-WWASVFFGSA-N</td><td></td><td>(1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-16'-ol</td><td>416.646</td><td>3.28e-05 g/l</td><td>4.52</td><td>-7.10</td><td>InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1</td><td>[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@H](C)CO1)O2</td><td>-1.3560752133131748</td><td>18.2963963211217</td><td><a href="/food_sources/9">Asparagus</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000017">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="18"><td></td><td><a href="/entries/PHUB000018">Squalene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000018</td><td>18</td><td>410.39125161</td><td>C<sub>30</sub>H<sub>50</sub></td><td>Terpenoids</td><td>Miscellaneous terpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000018/image.svg" src="" /></td><td>YYGNTYWPHWGJRM-AAJYLUCBSA-N</td><td></td><td>(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene</td><td>410.73</td><td>5.02e-04 g/l</td><td>8.64</td><td>-5.91</td><td>InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+</td><td>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/155">Wheat germ</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000018">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="19"><td></td><td><a href="/entries/PHUB000019">Trigonelloside C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000019</td><td>19</td><td>1048.545424345</td><td>C<sub>51</sub>H<sub>84</sub>O<sub>22</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Asparasaponin I</td><td class="structure"><img data-src="/structures/PHUB000019/image.svg" src="" /></td><td>LVTJOONKWUXEFR-YFQJTNJMSA-N</td><td></td><td>(2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-6-{[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-
8hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol</td><td>1049.211</td><td>8.96e-01 g/l</td><td>-0.22</td><td>-3.07</td><td>InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48+,49-,50-,51+/m0/s1</td><td>C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.6765054853651766</td><td>11.505555253225195</td><td><a href="/food_sources/66">Fenugreek</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000019">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="20"><td></td><td><a href="/entries/PHUB000020">2,2-dimethyl-5-(1-methyl-1-propenyl)-tetrahydrofuran</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000020</td><td>20</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Ocimen quintoxide</td><td class="structure"><img data-src="/structures/PHUB000020/image.svg" src="" /></td><td>LPEYLSKLVYWOEQ-UHFFFAOYSA-N</td><td></td><td>5-(but-2-en-2-yl)-2,2-dimethyloxolane</td><td>154.253</td><td>4.38e-01 g/l</td><td>3.82</td><td>-2.55</td><td>InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3</td><td>CC=C(C)C1CCC(C)(C)O1</td><td>-4.21342096490661</td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000020">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="21"><td></td><td><a href="/entries/PHUB000021">2-vinyl-2-methyl-tetrahydrofuran-5-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000021</td><td>21</td><td>126.068079562</td><td>C<sub>7</sub>H<sub>10</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000021/image.svg" src="" /></td><td>QESPSAHXYXIGBG-UHFFFAOYSA-N</td><td></td><td>5-ethenyl-5-methyloxolan-2-one</td><td>126.155</td><td>9.66e+00 g/l</td><td>1.49</td><td>-1.12</td><td>InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3</td><td>CC1(CCC(=O)O1)C=C</td><td>-7.0617137391233475</td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000021">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="22"><td></td><td><a href="/entries/PHUB000022">3,7-dimethyloct-1-en-3,6,7-triol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000022</td><td>22</td><td>188.141244504</td><td>C<sub>10</sub>H<sub>20</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000022/image.svg" src="" /></td><td>CNYFGLAROLNGDG-UHFFFAOYSA-N</td><td></td><td>2,6-dimethyloct-7-ene-2,3,6-triol</td><td>188.267</td><td>2.96e+01 g/l</td><td>0.51</td><td>-0.80</td><td>InChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3</td><td>CC(C)(O)C(O)CCC(C)(O)C=C</td><td>-2.928368277329806</td><td>13.789625367565753</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000022">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="23"><td></td><td><a href="/entries/PHUB000023">3,7-dimethylocta-1,5-dien-3,7-diol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000023</td><td>23</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000023/image.svg" src="" /></td><td>QEOHJVNDENHRCH-UHFFFAOYSA-N</td><td></td><td>2,6-dimethylocta-3,7-diene-2,6-diol</td><td>170.252</td><td>2.32e+00 g/l</td><td>1.62</td><td>-1.87</td><td>InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3</td><td>CC(C)(O)C=CCC(C)(O)C=C</td><td>-1.1553935849547616</td><td>17.781254105926628</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000023">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="24"><td></td><td><a href="/entries/PHUB000024">3,7-dimethylocta-1,7-dien-3,6-diol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000024</td><td>24</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000024/image.svg" src="" /></td><td>HZHJGFRDKJPQPV-UHFFFAOYSA-N</td><td></td><td>2,6-dimethylocta-1,7-diene-3,6-diol</td><td>170.252</td><td>4.55e+00 g/l</td><td>1.28</td><td>-1.57</td><td>InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3</td><td>CC(=C)C(O)CCC(C)(O)C=C</td><td>-2.9285638879007285</td><td>14.36716394908944</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000024">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="25"><td></td><td><a href="/entries/PHUB000025">3,7-dimethylocta-1-en-3,7-diol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000025</td><td>25</td><td>172.146329884</td><td>C<sub>10</sub>H<sub>20</sub>O<sub>2</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000025/image.svg" src="" /></td><td>SRPFYGUVQUDURC-UHFFFAOYSA-N</td><td></td><td>2,6-dimethyloct-7-ene-2,6-diol</td><td>172.268</td><td>3.28e+00 g/l</td><td>1.65</td><td>-1.72</td><td>InChI=1S/C10H20O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5,11-12H,1,6-8H2,2-4H3</td><td>CC(C)(O)CCCC(C)(O)C=C</td><td>-0.9937745963456137</td><td>18.336824648789403</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000025">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="26"><td></td><td><a href="/entries/PHUB000026">Amarogentin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000026</td><td>26</td><td>586.168641026</td><td>C<sub>29</sub>H<sub>30</sub>O<sub>13</sub></td><td>Terpenoids</td><td>Miscellaneous terpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000026/image.svg" src="" /></td><td>DBOVHQOUSDWAPQ-WTONXPSSSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{[(3S,4R,4aS)-4-ethenyl-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,3',5-trihydroxy-[1,1'-biphenyl]-2-carboxylate</td><td>586.546</td><td>3.94e-01 g/l</td><td>1.89</td><td>-3.17</td><td>InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1</td><td>[H][C@@]1(O[C@@H]2OC=C3C(=O)OCC[C@@]3([H])[C@H]2C=C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)C1=C(C=C(O)C=C1O)C1=CC(O)=CC=C1</td><td>-2.981085408876641</td><td>8.439058411570242</td><td><a href="/food_sources/72">Gentian</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000026">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="27"><td></td><td><a href="/entries/PHUB000027">Camphene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000027</td><td>27</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000027/image.svg" src="" /></td><td>CRPUJAZIXJMDBK-UHFFFAOYSA-N</td><td></td><td>2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane</td><td>136.238</td><td>6.21e-02 g/l</td><td>4.56</td><td>-3.34</td><td>InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3</td><td>CC1(C)C2CCC(C2)C1=C</td><td></td><td></td><td><a href="/food_sources/134">Rosemary</a></td><td><a href="/entries/PHUB000957">Camphene-2,10-glycol</a> / <a href="/entries/PHUB000958">Camphene-10,2-glycol</a> / <a href="/entries/PHUB000959">6-exo-Hydroxycamphene</a> / <a href="/entries/PHUB000960">7-Hydroxycamphene</a> / <a href="/entries/PHUB000961">3-Hydroxytricyclene</a> / <a href="/entries/PHUB000962">10-hydroxytricyclene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000027">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="28"><td></td><td><a href="/entries/PHUB000028">Camphor</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000028</td><td>28</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Bornan-2-one; Camphan-2-one</td><td class="structure"><img data-src="/structures/PHUB000028/image.svg" src="" /></td><td>DSSYKIVIOFKYAU-XVKPBYJWSA-N</td><td></td><td>(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one</td><td>152.237</td><td>8.80e-01 g/l</td><td>2.85</td><td>-2.24</td><td>InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10-/m0/s1</td><td>CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2</td><td>-7.4857085586657375</td><td></td><td><a href="/food_sources/36">Cinnamon</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/134">Rosemary</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000028">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="29"><td></td><td><a href="/entries/PHUB000029">Carane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000029</td><td>29</td><td>138.14085058</td><td>C<sub>10</sub>H<sub>18</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000029/image.svg" src="" /></td><td>BWRHOYDPVJPXMF-UHFFFAOYSA-N</td><td></td><td>3,7,7-trimethylbicyclo[4.1.0]heptane</td><td>138.254</td><td>3.89e-03 g/l</td><td>4.02</td><td>-4.55</td><td>InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3</td><td>CC1CCC2C(C1)C2(C)C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td><a href="/entries/PHUB000963">Carane 9,10-dicarboxylic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000029">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="30"><td></td><td><a href="/entries/PHUB000030">Carene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000030</td><td>30</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Car-3-ene; Carene (3-); Carene (delta-3-); Isodiprene</td><td class="structure"><img data-src="/structures/PHUB000030/image.svg" src="" /></td><td>KALFVDDBBPRATR-UHFFFAOYSA-N</td><td></td><td>3,7,7-trimethylbicyclo[4.1.0]hept-1-ene</td><td>136.238</td><td>1.78e-01 g/l</td><td>4.17</td><td>-2.88</td><td>InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6-8H,4-5H2,1-3H3</td><td>CC1CCC2C(=C1)C2(C)C</td><td></td><td></td><td><a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/114">Pepper</a></td><td><a href="/entries/PHUB000964">m-mentha-4,6-dien-8-ol</a> / <a href="/entries/PHUB000965">2-(3-Methylphenyl)propan-2-ol</a> / <a href="/entries/PHUB000966">3-Carene-9-ol</a> / <a href="/entries/PHUB000967">3-Carene-9-carboxylic acid</a> / <a href="/entries/PHUB000968">3-carene-9,10-dicarboxylic acid</a> / <a href="/entries/PHUB000969">3-caren-10-ol-9-carboxylic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000030">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="31"><td></td><td><a href="/entries/PHUB000031">Carvacrol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000031</td><td>31</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-p-cymenol; Isothymol</td><td class="structure"><img data-src="/structures/PHUB000031/image.svg" src="" /></td><td>RECUKUPTGUEGMW-UHFFFAOYSA-N</td><td></td><td>2-methyl-5-(propan-2-yl)phenol</td><td>150.221</td><td>4.70e-01 g/l</td><td>3.20</td><td>-2.50</td><td>InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3</td><td>CC(C)C1=CC(O)=C(C)C=C1</td><td>-5.466114337746285</td><td>10.422968132468661</td><td><a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/380">Hop marjoram</a> / <a href="/food_sources/382">Nigella (Nigella sativa)</a> / <a href="/food_sources/272">Summer savory</a> / <a href="/food_sources/148">Sweet marjoram</a> / <a href="/food_sources/381">Thyme (Thymus capitatus )</a> / <a href="/food_sources/288">Winter savory</a></td><td><a href="/entries/PHUB001787">2,3-Dihydroxy-p-cymene</a> / <a href="/entries/PHUB001788">2-(-3-Hydroxy-4-methylphenyl)propan-2-ol</a> / <a href="/entries/PHUB001789">2-(-3-Hydroxy-4-methylphenyl)propan-1-ol</a> / <a href="/entries/PHUB001790">2-Hydroxymethyl-5-(1-methylethyl)phenol</a> / <a href="/entries/PHUB001791">2-(3-Hydroxy-4-methylphenyl)propionic acid</a> / <a href="/entries/PHUB001792">2-Hydroxymethyl-4-(1-methylethyl)benzoic acid</a> / <a href="/entries/PHUB001793">2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000031">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="32"><td></td><td><a href="/entries/PHUB000032">Carvomenthenol (4-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000032</td><td>32</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpineol (4-)</td><td class="structure"><img data-src="/structures/PHUB000032/image.svg" src="" /></td><td>WRYLYDPHFGVWKC-SNVBAGLBSA-N</td><td></td><td>(1S)-4-methyl-1-(propan-2-yl)cyclohex-3-en-1-ol</td><td>154.253</td><td>2.50e+00 g/l</td><td>2.81</td><td>-1.79</td><td>InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m1/s1</td><td>CC(C)[C@]1(O)CCC(C)=CC1</td><td>-0.6121113415408137</td><td>19.999288199495165</td><td><a href="/food_sources/7">Apple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000032">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="33"><td></td><td><a href="/entries/PHUB000033">Carvone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-die-6-ona</td><td>PHUB000033</td><td>33</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Carvol</td><td class="structure"><img data-src="/structures/PHUB000033/image.svg" src="" /></td><td>ULDHMXUKGWMISQ-UHFFFAOYSA-N</td><td></td><td>2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one</td><td>150.221</td><td>1.16e+00 g/l</td><td>2.77</td><td>-2.11</td><td>InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3</td><td>CC(=C)C1CC=C(C)C(=O)C1</td><td>-4.655503656223822</td><td></td><td><a href="/food_sources/21">Caraway</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td><a href="/entries/PHUB000970">Carveol</a> / <a href="/entries/PHUB000971">Carveol glucuronide</a> / <a href="/entries/PHUB000972">Dihydrocarveol</a> / <a href="/entries/PHUB000973">Carvonic acid</a> / <a href="/entries/PHUB000974">Dihydrocarvonic acid</a> / <a href="/entries/PHUB000975">Uroterpenolone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000033">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="35"><td></td><td><a href="/entries/PHUB000035">Citronellal</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000035</td><td>35</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,7-Dimethyloct-6-enal</td><td class="structure"><img data-src="/structures/PHUB000035/image.svg" src="" /></td><td>NEHNMFOYXAPHSD-UHFFFAOYSA-N</td><td></td><td>3,7-dimethyloct-6-enal</td><td>154.253</td><td>3.59e-01 g/l</td><td>3.25</td><td>-2.63</td><td>InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3</td><td>CC(CCC=C(C)C)CC=O</td><td>-6.9503143064911965</td><td>18.182854758257992</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/87">Lemon</a> / <a href="/food_sources/231">Lemon grass</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000035">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="36"><td></td><td><a href="/entries/PHUB000036">Citronellol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000036</td><td>36</td><td>156.151415264</td><td>C<sub>10</sub>H<sub>20</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,7-dimethyloct-6-en-1-ol</td><td class="structure"><img data-src="/structures/PHUB000036/image.svg" src="" /></td><td>QMVPMAAFGQKVCJ-UHFFFAOYSA-N</td><td></td><td>3,7-dimethyloct-6-en-1-ol</td><td>156.269</td><td>8.46e-01 g/l</td><td>3.48</td><td>-2.27</td><td>InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3</td><td>CC(CCO)CCC=C(C)C</td><td>-1.8759770595769654</td><td>17.10979181623922</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000036">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="37"><td></td><td><a href="/entries/PHUB000037">Citronellyl acetate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000037</td><td>37</td><td>198.161979948</td><td>C<sub>12</sub>H<sub>22</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,7-Dimethyl-6-octen-1-yl acetate</td><td class="structure"><img data-src="/structures/PHUB000037/image.svg" src="" /></td><td>JOZKFWLRHCDGJA-UHFFFAOYSA-N</td><td></td><td>3,7-dimethyloct-6-en-1-yl acetate</td><td>198.306</td><td>6.85e-02 g/l</td><td>4.13</td><td>-3.46</td><td>InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3</td><td>CC(CCOC(C)=O)CCC=C(C)C</td><td>-6.99383218095138</td><td></td><td><a href="/food_sources/73">Ginger</a> / <a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000037">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="38"><td></td><td><a href="/entries/PHUB000038">Cuminaldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000038</td><td>38</td><td>148.088815006</td><td>C<sub>10</sub>H<sub>12</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cumaldehyde; Cuminal</td><td class="structure"><img data-src="/structures/PHUB000038/image.svg" src="" /></td><td>WTWBUQJHJGUZCY-UHFFFAOYSA-N</td><td></td><td>4-(propan-2-yl)benzaldehyde</td><td>148.205</td><td>1.46e-01 g/l</td><td>2.73</td><td>-3.01</td><td>InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3</td><td>[H]C(=O)C1=CC=C(C=C1)C(C)C</td><td>-7.10346927497791</td><td></td><td><a href="/food_sources/57">Cumin</a></td><td><a href="/entries/PHUB000978">9-hydroxy-p-mentha-1,3,5-trien-7-oic acid</a> / <a href="/entries/PHUB000979">p-mentha-1,3,5-trien-7,9-dioic acid</a> / <a href="/entries/PHUB000980">p-mentha-1,3,5-trien-7-ol</a> / <a href="/entries/PHUB000986">4-isopropylbenzoic acid</a> / <a href="/entries/PHUB000987">4-(1-Hydroxy-1-methylethyl)benzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000038">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="39"><td></td><td><a href="/entries/PHUB000039">Cymene-p</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000039</td><td>39</td><td>134.109550451</td><td>C<sub>10</sub>H<sub>14</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cymene; Dolcymen; Isopropyltoluene</td><td class="structure"><img data-src="/structures/PHUB000039/image.svg" src="" /></td><td>HFPZCAJZSCWRBC-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(propan-2-yl)benzene</td><td>134.222</td><td>1.69e-02 g/l</td><td>4.17</td><td>-3.90</td><td>InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3</td><td>CC(C)C1=CC=C(C)C=C1</td><td></td><td></td><td><a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/76">Grape wine</a></td><td><a href="/entries/PHUB000981">2-(4-Methylphenyl)propan-1-ol</a> / <a href="/entries/PHUB000982">2-(4-Methylphenyl)propanoic acid</a> / <a href="/entries/PHUB000983">2-(4-Methylphenyl)propan-2-ol</a> / <a href="/entries/PHUB000984">2-hydroxy-2-(4-Methylphenyl)propanoic acid</a> / <a href="/entries/PHUB000985">2-(4-Methylphenyl)prop-2-enoic acid</a> / <a href="/entries/PHUB000986">4-isopropylbenzoic acid</a> / <a href="/entries/PHUB000987">4-(1-Hydroxy-1-methylethyl)benzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000039">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="40"><td></td><td><a href="/entries/PHUB000040">Damascenone-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000040</td><td>40</td><td>190.1357652</td><td>C<sub>13</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one; Damascenone</td><td class="structure"><img data-src="/structures/PHUB000040/image.svg" src="" /></td><td>POIARNZEYGURDG-FNORWQNLSA-N</td><td></td><td>(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one</td><td>190.286</td><td>1.91e-01 g/l</td><td>4.02</td><td>-3.00</td><td>InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+</td><td>C\C=C\C(=O)C1=C(C)C=CCC1(C)C</td><td>-4.246642868703947</td><td></td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/90">Lichee</a> / <a href="/food_sources/118">Pineapple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000040">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="41"><td></td><td><a href="/entries/PHUB000041">Gentiopicrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000041</td><td>41</td><td>356.110732224</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>9</sub></td><td>Terpenoids</td><td>Miscellaneous terpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000041/image.svg" src="" /></td><td>DUAGQYUORDTXOR-GPQRQXLASA-N</td><td></td><td>(5R,6S)-5-ethenyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,5H,6H-pyrano[3,4-c]pyran-1-one</td><td>356.327</td><td>1.59e+01 g/l</td><td>-1.01</td><td>-1.35</td><td>InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1</td><td>[H][C@@]1(O[C@@H]2OC=C3C(=O)OCC=C3[C@H]2C=C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810847629851693</td><td>12.206043169361854</td><td><a href="/food_sources/72">Gentian</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000041">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="43"><td></td><td><a href="/entries/PHUB000043">Geranic acid (trans-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000043</td><td>43</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000043/image.svg" src="" /></td><td>ZHYZQXUYZJNEHD-VQHVLOKHSA-N</td><td></td><td>(2E)-3,7-dimethylocta-2,6-dienoic acid</td><td>168.236</td><td>1.22e+00 g/l</td><td>2.72</td><td>-2.14</td><td>InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+</td><td>CC(C)=CCC\C(C)=C\C(O)=O</td><td></td><td>5.057430681599353</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000043">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="44"><td></td><td><a href="/entries/PHUB000044">Geraniol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000044</td><td>44</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Geraniol-beta; Lemonol</td><td class="structure"><img data-src="/structures/PHUB000044/image.svg" src="" /></td><td>GLZPCOQZEFWAFX-JXMROGBWSA-N</td><td></td><td>(2E)-3,7-dimethylocta-2,6-dien-1-ol</td><td>154.253</td><td>1.37e+00 g/l</td><td>2.89</td><td>-2.05</td><td>InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+</td><td>CC(C)=CCC\C(C)=C\CO</td><td>-2.2170474067293595</td><td>16.330024218725743</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/90">Lichee</a></td><td><a href="/entries/PHUB001817">8-carboxygeraniol</a> / <a href="/entries/PHUB001818">Hildebrandt acid</a> / <a href="/entries/PHUB001845">8-hydroxygeraniol</a> / <a href="/entries/PHUB001844">Geranic acid</a> / <a href="/entries/PHUB001819">3-hydroxycitronelic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000044">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="46"><td></td><td><a href="/entries/PHUB000046">Geranyl methylate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000046</td><td>46</td><td>182.13067982</td><td>C<sub>11</sub>H<sub>18</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000046/image.svg" src="" /></td><td>ACOBBFVLNKYODD-CSKARUKUSA-N</td><td></td><td>methyl (2E)-3,7-dimethylocta-2,6-dienoate</td><td>182.263</td><td>3.76e-01 g/l</td><td>3.67</td><td>-2.69</td><td>InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+</td><td>COC(=O)\C=C(/C)CCC=C(C)C</td><td>-6.794097333724184</td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000046">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="47"><td></td><td><a href="/entries/PHUB000047">Geranyl acetate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000047</td><td>47</td><td>196.146329884</td><td>C<sub>12</sub>H<sub>20</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000047/image.svg" src="" /></td><td>HIGQPQRQIQDZMP-DHZHZOJOSA-N</td><td></td><td>(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate</td><td>196.29</td><td>1.90e-01 g/l</td><td>4.11</td><td>-3.01</td><td>InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+</td><td>CC(C)=CCC\C(C)=C\COC(C)=O</td><td>-7.004434726067085</td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000047">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="48"><td></td><td><a href="/entries/PHUB000048">Geranyl acetone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000048</td><td>48</td><td>194.167065328</td><td>C<sub>13</sub>H<sub>22</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000048/image.svg" src="" /></td><td>HNZUNIKWNYHEJJ-FMIVXFBMSA-N</td><td></td><td>(5E)-6,10-dimethylundeca-5,9-dien-2-one</td><td>194.318</td><td>9.42e-02 g/l</td><td>4.59</td><td>-3.31</td><td>InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+</td><td>CC(C)=CCC\C(C)=C\CCC(C)=O</td><td>-7.277827143039398</td><td>19.598762051814713</td><td><a href="/food_sources/7">Apple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000048">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="49"><td></td><td><a href="/entries/PHUB000049">Hotrienol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000049</td><td>49</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,7-Dimethylocta-1,5,7-trien-3-ol</td><td class="structure"><img data-src="/structures/PHUB000049/image.svg" src="" /></td><td>ZJIQIJIQBTVTDY-VOTSOKGWSA-N</td><td></td><td>(5E)-3,7-dimethylocta-1,5,7-trien-3-ol</td><td>152.237</td><td>3.12e-01 g/l</td><td>2.81</td><td>-2.69</td><td>InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+</td><td>[H]\C(CC(C)(O)C=C)=C(\[H])C(C)=C</td><td>-1.3247526558772973</td><td>18.37002136287769</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/151">Tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000049">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="50"><td></td><td><a href="/entries/PHUB000050">Isoestragole</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000050</td><td>50</td><td>148.088815006</td><td>C<sub>10</sub>H<sub>12</sub>O</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Anethole</td><td class="structure"><img data-src="/structures/PHUB000050/image.svg" src="" /></td><td>RUVINXPYWBROJD-ONEGZZNKSA-N</td><td></td><td>1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene</td><td>148.205</td><td>1.77e-01 g/l</td><td>3.40</td><td>-2.92</td><td>InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+</td><td>COC1=CC=C(\C=C\C)C=C1</td><td>-4.822404266999745</td><td></td><td><a href="/food_sources/7">Apple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000050">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="51"><td></td><td><a href="/entries/PHUB000051">Limonene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000051</td><td>51</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cajeputen; Cinene; Kautschin</td><td class="structure"><img data-src="/structures/PHUB000051/image.svg" src="" /></td><td>XMGQYMWWDOXHJM-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene</td><td>136.238</td><td>4.57e-01 g/l</td><td>4.50</td><td>-2.47</td><td>InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3</td><td>CC(=C)C1CCC(C)=CC1</td><td></td><td></td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/74">Ginseng</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/87">Lemon</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/96">Mint</a> / <a href="/food_sources/99">Nutmeg</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/114">Pepper</a> / <a href="/food_sources/116">Peppermint</a> / <a href="/food_sources/271">Star anise</a> / <a href="/food_sources/149">Sweet orange</a></td><td><a href="/entries/PHUB000033">Carvone</a> / <a href="/entries/PHUB000990">Limonene-1,2-diol</a> / <a href="/entries/PHUB000991">Limonene-8,9-diol</a> / <a href="/entries/PHUB000992">Limonene-8,9-diol glucuronide</a> / <a href="/entries/PHUB000993">Limonene-10-ol</a> / <a href="/entries/PHUB000994">Limonene-10-glucuronide</a> / <a href="/entries/PHUB000075">Perillyl alcohol</a> / <a href="/entries/PHUB000996">Perillic acid</a> / <a href="/entries/PHUB000997">Perillic acid glucuronide</a> / <a href="/entries/PHUB000998">Perillyl glycine</a> / <a href="/entries/PHUB000999">Perillic acid-8,9-diol</a> / <a href="/entries/PHUB001000">Dihydroperillic acid (trans-)</a> / <a href="/entries/PHUB001001">Dihydroperillic acid (cis-)</a> / <a href="/entries/PHUB001002">Dihydroperillic acid glucuronide (trans-)</a> / <a href="/entries/PHUB001003">Dihydroperillic acid glucuronide (cis-)</a> / <a href="/entries/PHUB001004">p-mentha-1,8-dien-10-carboxylic-acid</a> / <a href="/entries/PHUB001847">Limonene-1,2-glycol</a> / <a href="/entries/PHUB001846">Limonene-1,2-epoxide</a> / <a href="/entries/PHUB001848">Limonene-8,9-epoxide</a> / <a href="/entries/PHUB000970">Carveol</a> / <a href="/entries/PHUB002610">dihydroxy-p-mentha-8-en-7-oic acid glucuronide</a> / <a href="/entries/PHUB002611">8-hydroxyperillic acid-9-glucuronide</a> / <a href="/entries/PHUB002612">2-hydroxy-p-menthan-7-oic acid</a> / <a href="/entries/PHUB002613">2-hydroxy-p-menthan-7-oic acid glucuronide</a> / <a href="/entries/PHUB002614">hydroxy-p-menth-8-en-7-oic acid glucuronide I</a> / <a href="/entries/PHUB002615">dihydroperillic acid-2-glucuronide</a> / <a href="/entries/PHUB002616">dihydroperilloyl-7-glycine</a> / <a href="/entries/PHUB002617">hydroxy-p-menth-8-en-7-oic acid glycine II</a> / <a href="/entries/PHUB002618">Perillic acid sulfate</a> / <a href="/entries/PHUB002619">1-Hydroxylimonene-2-glucuronide</a> / <a href="/entries/PHUB002620">2-Hydroxylimonene-1-glucuronide</a> / <a href="/entries/PHUB002621">9-hydroxylimonene-8-glucuronide</a> / <a href="/entries/PHUB002622">8-hydroxylimonene-9-glucuronide</a> / <a href="/entries/PHUB002624">8-hydroxy-p-menthan-7-oic acid-9-glucuronide</a> / <a href="/entries/PHUB002623">8,9-dihydroxy-p-menthan-7-oic acid</a> / <a href="/entries/PHUB002625">9-hydroxy-p-menthan-7-oic acid-8-glucuronide</a> / <a href="/entries/PHUB002626">8,9-dihydroxy-p-menthan-7-oic acid glucuronide III</a> / <a href="/entries/PHUB002627">8,9-epoxy-p-menth-1ene</a> / <a href="/entries/PHUB002628">Dihydrocarveol glucuronide</a> / <a href="/entries/PHUB002631">Perillyl-beta-D-glucuronide</a> / <a href="/entries/PHUB002632">p-menth-2,8-dien-1-ol</a> / <a href="/entries/PHUB002633">dihydroperillic acid methyl ester</a> / <a href="/entries/PHUB002634">perillic acid methyl ester</a> / <a href="/entries/PHUB002705">Perillic acid-8,9-diol glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000051">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="52"><td></td><td><a href="/entries/PHUB000052">Linalool</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000052</td><td>52</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Linalol</td><td class="structure"><img data-src="/structures/PHUB000052/image.svg" src="" /></td><td>CDOSHBSSFJOMGT-UHFFFAOYSA-N</td><td></td><td>3,7-dimethylocta-1,6-dien-3-ol</td><td>154.253</td><td>4.76e-01 g/l</td><td>2.68</td><td>-2.51</td><td>InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3</td><td>CC(C)=CCCC(C)(O)C=C</td><td>-1.2856635235681075</td><td>18.459388377759243</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/376">Basil</a> / <a href="/food_sources/36">Cinnamon</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/52">Coriander</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/90">Lichee</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/271">Star anise</a> / <a href="/food_sources/145">Sweet basil</a> / <a href="/food_sources/146">Sweet bay</a> / <a href="/food_sources/147">Sweet cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000052">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="53"><td></td><td><a href="/entries/PHUB000053">Linalool (8-hydroxydihydro-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000053</td><td>53</td><td>172.146329884</td><td>C<sub>10</sub>H<sub>20</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000053/image.svg" src="" /></td><td>GFOMTORUAWAGGU-UHFFFAOYSA-N</td><td></td><td>2,6-dimethyloct-7-ene-1,6-diol</td><td>172.268</td><td>2.62e+00 g/l</td><td>1.98</td><td>-1.82</td><td>InChI=1S/C10H20O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,9,11-12H,1,5-8H2,2-3H3</td><td>[H]OCC(C)CCCC(C)(O[H])C=C</td><td>-1.1942132894570818</td><td>17.418322395425836</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000053">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="54"><td></td><td><a href="/entries/PHUB000054">Linalool (cis-8-hydroxy-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000054</td><td>54</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000054/image.svg" src="" /></td><td>NSMIMJYEKVSYMT-TWGQIWQCSA-N</td><td></td><td>(2Z)-2,6-dimethylocta-2,7-diene-1,6-diol</td><td>170.252</td><td>4.55e+00 g/l</td><td>1.35</td><td>-1.57</td><td>InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6-</td><td>[H]OC\C(C)=C/CCC(C)(O[H])C=C</td><td>-1.2856637071402215</td><td>16.644023096128976</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000054">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="55"><td></td><td><a href="/entries/PHUB000055">Linalool (trans-8-hydroxy-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000055</td><td>55</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000055/image.svg" src="" /></td><td>NSMIMJYEKVSYMT-RMKNXTFCSA-N</td><td></td><td>(2E)-2,6-dimethylocta-2,7-diene-1,6-diol</td><td>170.252</td><td>4.55e+00 g/l</td><td>1.35</td><td>-1.57</td><td>InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+</td><td>[H]OC\C(C)=C\CCC(C)(O[H])C=C</td><td>-1.2856637071402215</td><td>16.644023096128976</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000055">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="56"><td></td><td><a href="/entries/PHUB000056">linalool oxide (cis-anhydrofuran)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000056</td><td>56</td><td>166.1357652</td><td>C<sub>11</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cis-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran</td><td class="structure"><img data-src="/structures/PHUB000056/image.svg" src="" /></td><td>WHAUGOYPBNDJOT-GHMZBOCLSA-N</td><td></td><td>(2S,5R)-2-ethenyl-2,5-dimethyl-5-(prop-1-en-2-yl)oxolane</td><td>166.264</td><td>7.48e-02 g/l</td><td>3.58</td><td>-3.35</td><td>InChI=1S/C11H18O/c1-6-10(4)7-8-11(5,12-10)9(2)3/h6H,1-2,7-8H2,3-5H3/t10-,11-/m1/s1</td><td>CC(=C)[C@@]1(C)CC[C@](C)(O1)C=C</td><td>-4.2625778493078865</td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000056">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="57"><td></td><td><a href="/entries/PHUB000057">linalool oxide (cis-furan)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000057</td><td>57</td><td>184.146329884</td><td>C<sub>11</sub>H<sub>20</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cis-5-(2-hydroxyisopropyl)-2-methyl-2-vinyl-tetrahydrofuran</td><td class="structure"><img data-src="/structures/PHUB000057/image.svg" src="" /></td><td>SUOCCLKULOHEBG-GHMZBOCLSA-N</td><td></td><td>2-[(2R,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol</td><td>184.279</td><td>3.52e-01 g/l</td><td>1.99</td><td>-2.72</td><td>InChI=1S/C11H20O2/c1-6-10(4)7-8-11(5,13-10)9(2,3)12/h6,12H,1,7-8H2,2-5H3/t10-,11-/m1/s1</td><td>CC(C)(O)[C@@]1(C)CC[C@](C)(O1)C=C</td><td>-3.1878398448367196</td><td>14.11056276900613</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000057">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="58"><td></td><td><a href="/entries/PHUB000058">Linalool oxide (cis-pyran)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000058</td><td>58</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cis-5-hydroxy-2,6,6-trimethyl-2-vinyltetrahydropyran</td><td class="structure"><img data-src="/structures/PHUB000058/image.svg" src="" /></td><td>BCTBAGTXFYWYMW-WCBMZHEXSA-N</td><td></td><td>(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol</td><td>170.252</td><td>1.58e+00 g/l</td><td>1.68</td><td>-2.03</td><td>InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1</td><td>CC1(C)O[C@@](C)(CC[C@@H]1O)C=C</td><td>-3.23432994340745</td><td>14.004275392301212</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000058">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="59"><td></td><td><a href="/entries/PHUB000059">linalool oxide (trans-anhydrofuran)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000059</td><td>59</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>ttrans-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran</td><td class="structure"><img data-src="/structures/PHUB000059/image.svg" src="" /></td><td>XIGFNCYVSHOLIF-VHSXEESVSA-N</td><td></td><td>(2S,5S)-2-ethenyl-2-methyl-5-(prop-1-en-2-yl)oxolane</td><td>152.237</td><td>1.37e-01 g/l</td><td>3.13</td><td>-3.05</td><td>InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10+/m0/s1</td><td>CC(=C)[C@@H]1CC[C@](C)(O1)C=C</td><td>-4.242702514205473</td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000059">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="60"><td></td><td><a href="/entries/PHUB000060">linalool oxide (trans-furan)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000060</td><td>60</td><td>184.146329884</td><td>C<sub>11</sub>H<sub>20</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>trans-5-(2-hydroxyisopropyl)-2-methyl-2-vinyl-tetrahydrofuran</td><td class="structure"><img data-src="/structures/PHUB000060/image.svg" src="" /></td><td>SUOCCLKULOHEBG-MNOVXSKESA-N</td><td></td><td>2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol</td><td>184.279</td><td>3.52e-01 g/l</td><td>1.99</td><td>-2.72</td><td>InChI=1S/C11H20O2/c1-6-10(4)7-8-11(5,13-10)9(2,3)12/h6,12H,1,7-8H2,2-5H3/t10-,11+/m1/s1</td><td>[H]OC(C)(C)[C@]1(C)CC[C@](C)(O1)C=C</td><td>-3.1878398448367196</td><td>14.11056276900613</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000060">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="61"><td></td><td><a href="/entries/PHUB000061">Linalool oxide (trans-pyran)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000061</td><td>61</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>trans-5-hydroxy-2,6,6-trimethyl-2-vinyltetrahydropyran</td><td class="structure"><img data-src="/structures/PHUB000061/image.svg" src="" /></td><td>BCTBAGTXFYWYMW-WPRPVWTQSA-N</td><td></td><td>(3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol</td><td>170.252</td><td>1.58e+00 g/l</td><td>1.68</td><td>-2.03</td><td>InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m0/s1</td><td>[H]O[C@H]1CC[C@@](C)(OC1(C)C)C=C</td><td>-3.23432994340745</td><td>14.004275392301212</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000061">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="62"><td></td><td><a href="/entries/PHUB000062">(-)-Menthol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000062</td><td>62</td><td>156.151415264</td><td>C<sub>10</sub>H<sub>20</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Peppermint camphor</td><td class="structure"><img data-src="/structures/PHUB000062/image.svg" src="" /></td><td>NOOLISFMXDJSKH-KXUCPTDWSA-N</td><td>2216-51-5</td><td>(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol</td><td>156.269</td><td>5.58e-01 g/l</td><td>2.68</td><td>-2.45</td><td>InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1</td><td>CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O</td><td>-0.8087842408951698</td><td>19.54964736878105</td><td><a href="/food_sources/96">Mint</a> / <a href="/food_sources/116">Peppermint</a></td><td><a href="/entries/PHUB001011">7-hydroxymenthol</a> / <a href="/entries/PHUB001012">3-hydroxy-p-menthan-7-oic acid</a> / <a href="/entries/PHUB001013">Methane (3,8-dihydroxy-7-carboxylic acid)</a> / <a href="/entries/PHUB001014">p-menthane-3,7,8-triol</a> / <a href="/entries/PHUB001015">8-Hydroxymenthol</a> / <a href="/entries/PHUB001016">Menthol glucuronide</a> / <a href="/entries/PHUB001017">Menthane (3,8-oxy-p-, 7-carboxylic acid)</a> / <a href="/entries/PHUB001018">3,8-dihydroxy-p-menthan-7-oic acid</a> / <a href="/entries/PHUB001019">9-hydroxymenthol</a> / <a href="/entries/PHUB001020">Menthane (3-hydroxy-p-, 9-carboxylic acid)</a> / <a href="/entries/PHUB001021">8-hydroxymenthol-3-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000062">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="63"><td></td><td><a href="/entries/PHUB000063">(-)-Menthone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000063</td><td>63</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Menthone (L-); trans-menthone</td><td class="structure"><img data-src="/structures/PHUB000063/image.svg" src="" /></td><td>NFLGAXVYCFJBMK-BDAKNGLRSA-N</td><td>89-80-5, 14073-97-3</td><td></td><td>154.253</td><td></td><td></td><td></td><td>InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1</td><td>CC(C)[C@@H]1CC[C@@H](C)CC1=O</td><td></td><td></td><td><a href="/food_sources/96">Mint</a> / <a href="/food_sources/116">Peppermint</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000063">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="64"><td></td><td><a href="/entries/PHUB000064">Menthyl acetate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000064</td><td>64</td><td>198.161979948</td><td>C<sub>12</sub>H<sub>22</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Menthol acetate</td><td class="structure"><img data-src="/structures/PHUB000064/image.svg" src="" /></td><td>XHXUANMFYXWVNG-ADEWGFFLSA-N</td><td>5157-89-1</td><td></td><td>198.306</td><td></td><td></td><td></td><td>InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1</td><td>CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O</td><td></td><td></td><td><a href="/food_sources/96">Mint</a> / <a href="/food_sources/116">Peppermint</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000064">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="65"><td></td><td><a href="/entries/PHUB000065">Monotropein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000065</td><td>65</td><td>390.116211528</td><td>C<sub>16</sub>H<sub>22</sub>O<sub>11</sub></td><td>Terpenoids</td><td>Miscellaneous terpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000065/image.svg" src="" /></td><td>HPWWQPXTUDMRBI-NJPMDSMTSA-N</td><td></td><td>(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid</td><td>390.341</td><td>5.02e+01 g/l</td><td>-1.91</td><td>-0.89</td><td>InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1</td><td>[H][C@]12C=C[C@](O)(CO)[C@@]1([H])[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O</td><td>-2.9810847602026636</td><td>3.9137748463385265</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/15">Bilberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000065">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="66"><td></td><td><a href="/entries/PHUB000066">Monotropein (6,7-dihydro-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000066</td><td>66</td><td>392.131861593</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>11</sub></td><td>Terpenoids</td><td>Miscellaneous terpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000066/image.svg" src="" /></td><td>PMUMTYKKCFIWAK-NJPMDSMTSA-N</td><td></td><td>(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid</td><td>392.357</td><td>9.30e+01 g/l</td><td>-2.07</td><td>-0.63</td><td>InChI=1S/C16H24O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h4,6,8-12,14-15,17-21,24H,1-3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1</td><td>[H][C@]12CC[C@](O)(CO)[C@@]1([H])[C@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)OC=C2C(O)=O</td><td>-2.9810847601928367</td><td>3.99568034802688</td><td><a href="/food_sources/5">American cranberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000066">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="67"><td></td><td><a href="/entries/PHUB000067">Myrcene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000067</td><td>67</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Myrcene-beta</td><td class="structure"><img data-src="/structures/PHUB000067/image.svg" src="" /></td><td>UAHWPYUMFXYFJY-UHFFFAOYSA-N</td><td>123-35-3</td><td>7-methyl-3-methylideneocta-1,6-diene</td><td>136.238</td><td>7.75e-02 g/l</td><td>4.32</td><td>-3.25</td><td>InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3</td><td>CC(C)=CCCC(=C)C=C</td><td></td><td></td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/106">Parsley</a></td><td><a href="/entries/PHUB001005">Myrcene-3(10)-glycol</a> / <a href="/entries/PHUB001006">Myrcene (3-Hydroxy, 10-carboxylic acid)</a> / <a href="/entries/PHUB001007">Myrcene-1,2-glycol</a> / <a href="/entries/PHUB001008">Myrcene (2-hydroxy, 1-carboxylic acid)</a> / <a href="/entries/PHUB000991">Limonene-8,9-diol</a> / <a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000067">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="68"><td></td><td><a href="/entries/PHUB000068">Myrcenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000068</td><td>68</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000068/image.svg" src="" /></td><td>IEVYLQISZQFFGA-YFHOEESVSA-N</td><td></td><td>(2Z)-2-methyl-6-methylideneocta-2,7-dien-1-ol</td><td>152.237</td><td>5.96e-01 g/l</td><td>2.69</td><td>-2.41</td><td>InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7-</td><td>C\C(CO)=C\CCC(=C)C=C</td><td>-2.079706837139099</td><td>16.64401729049131</td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000068">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="69"><td></td><td><a href="/entries/PHUB000069">Neral</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000069</td><td>69</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Citral B; Citral-cis</td><td class="structure"><img data-src="/structures/PHUB000069/image.svg" src="" /></td><td>WTEVQBCEXWBHNA-YFHOEESVSA-N</td><td></td><td>(2Z)-3,7-dimethylocta-2,6-dienal</td><td>152.237</td><td>4.00e-01 g/l</td><td>3.37</td><td>-2.58</td><td>InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-</td><td>CC(C)=CCC\C(C)=C/C=O</td><td>-4.056096067340819</td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000069">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="70"><td></td><td><a href="/entries/PHUB000070">Nerol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000070</td><td>70</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000070/image.svg" src="" /></td><td>GLZPCOQZEFWAFX-YFHOEESVSA-N</td><td></td><td>(2Z)-3,7-dimethylocta-2,6-dien-1-ol</td><td>154.253</td><td>1.37e+00 g/l</td><td>2.89</td><td>-2.05</td><td>InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-</td><td>CC(C)=CCC\C(C)=C/CO</td><td>-2.2170474067293595</td><td>16.330024218725743</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000070">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="71"><td></td><td><a href="/entries/PHUB000071">Ocimene-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000071</td><td>71</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Allocimene; Ocimene</td><td class="structure"><img data-src="/structures/PHUB000071/image.svg" src="" /></td><td>XJPBRODHZKDRCB-CSKARUKUSA-N</td><td></td><td>(3E)-3,7-dimethylocta-1,3,7-triene</td><td>136.238</td><td>7.71e-02 g/l</td><td>4.25</td><td>-3.25</td><td>InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+</td><td>CC(=C)CC\C=C(/C)C=C</td><td></td><td></td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/145">Sweet basil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000071">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="72"><td></td><td><a href="/entries/PHUB000072">Ocimenol-cis</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000072</td><td>72</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000072/image.svg" src="" /></td><td>IJFKZRMIRAVXRK-CLFYSBASSA-N</td><td></td><td>(5Z)-2,6-dimethylocta-5,7-dien-2-ol</td><td>154.253</td><td>5.74e-01 g/l</td><td>3.10</td><td>-2.43</td><td>InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3/b9-7-</td><td>[H]OC(C)(C)CC\C=C(\C)C=C</td><td>-1.199875898028253</td><td>18.655519208897456</td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000072">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="73"><td></td><td><a href="/entries/PHUB000073">Ocimenol-trans</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000073</td><td>73</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000073/image.svg" src="" /></td><td>IJFKZRMIRAVXRK-VQHVLOKHSA-N</td><td></td><td>(5E)-2,6-dimethylocta-5,7-dien-2-ol</td><td>154.253</td><td>5.74e-01 g/l</td><td>3.10</td><td>-2.43</td><td>InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3/b9-7+</td><td>[H]\C(CCC(C)(C)O)=C(\C)C=C</td><td>-1.199875898028253</td><td>18.655519208897456</td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000073">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="74"><td></td><td><a href="/entries/PHUB000074">Oleuropein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000074</td><td>74</td><td>540.18429109</td><td>C<sub>25</sub>H<sub>32</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>[2S-(2α,3E,4β)]-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-ac; 2-(3,4-dihydroxyphenyl)ethyl (2S-(2α,3E,4β))-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(m</td><td class="structure"><img data-src="/structures/PHUB000074/image.svg" src="" /></td><td>RFWGABANNQMHMZ-AGKURNLASA-N</td><td>32619-42-4</td><td>methyl (2R,3Z,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate</td><td>540.518</td><td>7.33e-01 g/l</td><td>0.63</td><td>-2.87</td><td>InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3-/t14-,18+,20+,21-,22+,24+,25-/m0/s1</td><td>COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C/C)[C@@H]1CC(=O)OCCC1=CC(O)=C(O)C=C1</td><td>-2.9810849052288235</td><td>9.284203782971378</td><td><a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000074">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="75"><td></td><td><a href="/entries/PHUB000075">Perillyl alcohol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dien-7-ol</td><td>PHUB000075</td><td>75</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000075/image.svg" src="" /></td><td>NDTYTMIUWGWIMO-UHFFFAOYSA-N</td><td></td><td>[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol</td><td>152.237</td><td>1.90e+00 g/l</td><td>2.50</td><td>-1.90</td><td>InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3</td><td>CC(=C)C1CCC(CO)=CC1</td><td>-1.986736242852114</td><td>16.85657008950134</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000075">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="76"><td></td><td><a href="/entries/PHUB000076">Perillyl aldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000076</td><td>76</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Perillaldehyde</td><td class="structure"><img data-src="/structures/PHUB000076/image.svg" src="" /></td><td>RUMOYJJNUMEFDD-UHFFFAOYSA-N</td><td></td><td>4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde</td><td>150.221</td><td>5.81e-01 g/l</td><td>2.97</td><td>-2.41</td><td>InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3</td><td>[H]C(=O)C1=CCC(CC1)C(C)=C</td><td>-4.326978487493531</td><td></td><td><a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td><a href="/entries/PHUB001022">(-)-Perillyl alcohol</a> / <a href="/entries/PHUB001023">Dihydroperillyl alcohol</a> / <a href="/entries/PHUB001025">Perillyl aldehyde metabolite 4</a> / <a href="/entries/PHUB000986">4-isopropylbenzoic acid</a> / <a href="/entries/PHUB000996">Perillic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000076">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="77"><td></td><td><a href="/entries/PHUB000077">Phellandrene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000077</td><td>77</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-Mentha-1,5-diene</td><td class="structure"><img data-src="/structures/PHUB000077/image.svg" src="" /></td><td>OGLDWXZKYODSOB-UHFFFAOYSA-N</td><td></td><td>2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene</td><td>136.238</td><td>1.33e-01 g/l</td><td>4.29</td><td>-3.01</td><td>InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3</td><td>CC(C)C1CC=C(C)C=C1</td><td></td><td></td><td><a href="/food_sources/59">Dill</a> / <a href="/food_sources/116">Peppermint</a> / <a href="/food_sources/146">Sweet bay</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000077">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="78"><td></td><td><a href="/entries/PHUB000078">Phellandrene-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000078</td><td>78</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-Mentha-1(7),2-diene</td><td class="structure"><img data-src="/structures/PHUB000078/image.svg" src="" /></td><td>LFJQCDVYDGGFCH-UHFFFAOYSA-N</td><td></td><td>3-methylidene-6-(propan-2-yl)cyclohex-1-ene</td><td>136.238</td><td>3.44e-02 g/l</td><td>3.98</td><td>-3.60</td><td>InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3</td><td>CC(C)C1CCC(=C)C=C1</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a> / <a href="/food_sources/106">Parsley</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000078">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="79"><td></td><td><a href="/entries/PHUB000079">Pinene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000079</td><td>79</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Pinene; Pinene</td><td class="structure"><img data-src="/structures/PHUB000079/image.svg" src="" /></td><td>GRWFGVWFFZKLTI-UHFFFAOYSA-N</td><td></td><td>2,6,6-trimethylbicyclo[3.1.1]hept-2-ene</td><td>136.238</td><td>1.58e-01 g/l</td><td>3.66</td><td>-2.94</td><td>InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3</td><td>CC1=CCC2CC1C2(C)C</td><td></td><td></td><td><a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/99">Nutmeg</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/114">Pepper</a> / <a href="/food_sources/116">Peppermint</a> / <a href="/food_sources/271">Star anise</a> / <a href="/food_sources/146">Sweet bay</a></td><td><a href="/entries/PHUB001026">Verbenol (trans-)</a> / <a href="/entries/PHUB001027">Myrtenol</a> / <a href="/entries/PHUB001028">Myrtenic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000079">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="80"><td></td><td><a href="/entries/PHUB000080">Pinene-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000080</td><td>80</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Nopinene</td><td class="structure"><img data-src="/structures/PHUB000080/image.svg" src="" /></td><td>WTARULDDTDQWMU-UHFFFAOYSA-N</td><td></td><td>6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane</td><td>136.238</td><td>6.37e-02 g/l</td><td>3.94</td><td>-3.33</td><td>InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3</td><td>CC1(C)C2CC1C(=C)CC2</td><td></td><td></td><td><a href="/food_sources/48">Common sage</a> / <a href="/food_sources/57">Cumin</a> / <a href="/food_sources/65">Fennel</a> / <a href="/food_sources/73">Ginger</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/99">Nutmeg</a> / <a href="/food_sources/114">Pepper</a> / <a href="/food_sources/116">Peppermint</a> / <a href="/food_sources/134">Rosemary</a> / <a href="/food_sources/146">Sweet bay</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000080">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="81"><td></td><td><a href="/entries/PHUB000081">Rose oxide (cis)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000081</td><td>81</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000081/image.svg" src="" /></td><td>CZCBTSFUTPZVKJ-NXEZZACHSA-N</td><td></td><td>(2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane</td><td>154.253</td><td>3.74e-01 g/l</td><td>3.30</td><td>-2.62</td><td>InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m1/s1</td><td>C[C@@H]1CCO[C@@H](C1)C=C(C)C</td><td>-4.172092453567934</td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/90">Lichee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000081">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="82"><td></td><td><a href="/entries/PHUB000082">Rose oxide (trans)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000082</td><td>82</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000082/image.svg" src="" /></td><td>CZCBTSFUTPZVKJ-ZJUUUORDSA-N</td><td></td><td>(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane</td><td>154.253</td><td>3.74e-01 g/l</td><td>3.30</td><td>-2.62</td><td>InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10+/m1/s1</td><td>C[C@@H]1CCO[C@H](C1)C=C(C)C</td><td>-4.172092453567934</td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000082">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="83"><td></td><td><a href="/entries/PHUB000083">Sabinene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000083</td><td>83</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000083/image.svg" src="" /></td><td>NDVASEGYNIMXJL-NXEZZACHSA-N</td><td></td><td>(1R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane</td><td>136.238</td><td>6.40e-02 g/l</td><td>3.04</td><td>-3.33</td><td>InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1</td><td>CC(C)[C@@]12C[C@@H]1C(=C)CC2</td><td></td><td></td><td><a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/99">Nutmeg</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/114">Pepper</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000083">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="84"><td></td><td><a href="/entries/PHUB000084">4-thujanol (cis)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Z-thujan-4-ol</td><td>PHUB000084</td><td>84</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Sabinene-hydrate (cis)</td><td class="structure"><img data-src="/structures/PHUB000084/image.svg" src="" /></td><td>KXSDPILWMGFJMM-GUBZILKMSA-N</td><td></td><td>(1R,2S,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol</td><td>154.253</td><td>8.10e-01 g/l</td><td>2.12</td><td>-2.28</td><td>InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1</td><td>CC(C)[C@]12C[C@H]1[C@@](C)(O)CC2</td><td>-0.9918331508592839</td><td>19.131154204711283</td><td><a href="/food_sources/148">Sweet marjoram</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000084">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="85"><td></td><td><a href="/entries/PHUB000085">4-thujanol (trans)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>E-thujan-4-ol</td><td>PHUB000085</td><td>85</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Sabinene-hydrate (trans)</td><td class="structure"><img data-src="/structures/PHUB000085/image.svg" src="" /></td><td>KXSDPILWMGFJMM-AEJSXWLSSA-N</td><td></td><td>(1R,2R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol</td><td>154.253</td><td>8.10e-01 g/l</td><td>2.12</td><td>-2.28</td><td>InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1</td><td>CC(C)[C@]12C[C@H]1[C@](C)(O)CC2</td><td>-0.9918331508592839</td><td>19.131154204711283</td><td><a href="/food_sources/148">Sweet marjoram</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000085">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="86"><td></td><td><a href="/entries/PHUB000086">Santolinatriene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000086</td><td>86</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000086/image.svg" src="" /></td><td>ZQGDEJAPCUGBRH-UHFFFAOYSA-N</td><td></td><td>3-ethenyl-2,5-dimethylhexa-1,4-diene</td><td>136.238</td><td>9.81e-02 g/l</td><td>3.76</td><td>-3.14</td><td>InChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h6-7,10H,1,4H2,2-3,5H3</td><td>CC(C)=CC(C=C)C(C)=C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000086">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="87"><td></td><td><a href="/entries/PHUB000087">Terpinen-4-ol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>p-menth-1-en-4-ol</td><td>PHUB000087</td><td>87</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000087/image.svg" src="" /></td><td>WRYLYDPHFGVWKC-UHFFFAOYSA-N</td><td></td><td>4-methyl-1-(propan-2-yl)cyclohex-3-en-1-ol</td><td>154.253</td><td>2.50e+00 g/l</td><td>2.81</td><td>-1.79</td><td>InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3</td><td>CC(C)C1(O)CCC(C)=CC1</td><td>-0.6121113415408137</td><td>19.999288199495165</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/148">Sweet marjoram</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000087">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="88"><td></td><td><a href="/entries/PHUB000088">Terpinene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000088</td><td>88</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000088/image.svg" src="" /></td><td>YHQGMYUVUMAZJR-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene</td><td>136.238</td><td>4.98e-01 g/l</td><td>4.51</td><td>-2.44</td><td>InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3</td><td>CC(C)C1=CC=C(C)CC1</td><td></td><td></td><td><a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000088">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="89"><td></td><td><a href="/entries/PHUB000089">Terpinene-gamma</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000089</td><td>89</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000089/image.svg" src="" /></td><td>YKFLAYDHMOASIY-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene</td><td>136.238</td><td>5.35e-01 g/l</td><td>4.36</td><td>-2.41</td><td>InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3</td><td>CC(C)C1=CCC(C)=CC1</td><td></td><td></td><td><a href="/food_sources/57">Cumin</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/103">Orange juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000089">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="90"><td></td><td><a href="/entries/PHUB000090">Terpineol-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000090</td><td>90</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000090/image.svg" src="" /></td><td>WUOACPNHFRMFPN-VIFPVBQESA-N</td><td></td><td>2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol</td><td>154.253</td><td>1.56e+00 g/l</td><td>3.17</td><td>-2.00</td><td>InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1</td><td>CC1=CC[C@@H](CC1)C(C)(C)O</td><td>-0.8732484271496527</td><td>19.402266970394027</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/109">Peach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000090">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="91"><td></td><td><a href="/entries/PHUB000091">Terpineol-gamma</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000091</td><td>91</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000091/image.svg" src="" /></td><td>NNRLDGQZIVUQTE-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(propan-2-ylidene)cyclohexan-1-ol</td><td>154.253</td><td>3.68e+00 g/l</td><td>2.68</td><td>-1.62</td><td>InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3</td><td>CC(C)=C1CCC(C)(O)CC1</td><td>-1.033557228689819</td><td>19.03576308027019</td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000091">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="92"><td></td><td><a href="/entries/PHUB000092">Terpinolene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000092</td><td>92</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000092/image.svg" src="" /></td><td>MOYAFQVGZZPNRA-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(propan-2-ylidene)cyclohex-1-ene</td><td>136.238</td><td>1.38e+00 g/l</td><td>3.82</td><td>-1.99</td><td>InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3</td><td>CC(C)=C1CCC(C)=CC1</td><td></td><td></td><td><a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000092">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="93"><td></td><td><a href="/entries/PHUB000093">Thujan-3-ol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000093</td><td>93</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(+)-Thujol</td><td class="structure"><img data-src="/structures/PHUB000093/image.svg" src="" /></td><td>IKXCCPWTSIENLL-UHFFFAOYSA-N</td><td></td><td>2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-1-ol</td><td>154.253</td><td>8.48e-01 g/l</td><td>2.21</td><td>-2.26</td><td>InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(9,11)6-9/h7-8,11H,4-6H2,1-3H3</td><td>CC(C)C12CC1(O)C(C)CC2</td><td>-0.7353815595795278</td><td>19.71746328399742</td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000093">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="94"><td></td><td><a href="/entries/PHUB000094">Thujene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000094</td><td>94</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000094/image.svg" src="" /></td><td>KQAZVFVOEIRWHN-NXEZZACHSA-N</td><td></td><td>(1R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene</td><td>136.238</td><td>1.63e-01 g/l</td><td>4.07</td><td>-2.92</td><td>InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m1/s1</td><td>CC(C)[C@@]12C[C@@H]1C(C)=CC2</td><td></td><td></td><td><a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000094">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="95"><td></td><td><a href="/entries/PHUB000095">Thujone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000095</td><td>95</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Thujan-3-one</td><td class="structure"><img data-src="/structures/PHUB000095/image.svg" src="" /></td><td>USMNOWBWPHYOEA-UHFFFAOYSA-N</td><td></td><td>4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one</td><td>152.237</td><td>4.38e-01 g/l</td><td>1.74</td><td>-2.54</td><td>InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3</td><td>CC(C)C12CC1C(C)C(=O)C2</td><td>-7.422104234360748</td><td></td><td><a href="/food_sources/48">Common sage</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000095">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="96"><td></td><td><a href="/entries/PHUB000096">Thymol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000096</td><td>96</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-p-cymenol; Timol</td><td class="structure"><img data-src="/structures/PHUB000096/image.svg" src="" /></td><td>MGSRCZKZVOBKFT-UHFFFAOYSA-N</td><td></td><td>5-methyl-2-(propan-2-yl)phenol</td><td>150.221</td><td>6.43e-01 g/l</td><td>3.16</td><td>-2.37</td><td>InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3</td><td>CC(C)C1=C(O)C=C(C)C=C1</td><td>-5.231344648281414</td><td>10.592932954134925</td><td><a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/382">Nigella (Nigella sativa)</a></td><td><a href="/entries/PHUB001829">2-(4-hydroxymethyl-2-hydroxyphenyl)propan-1-ol</a> / <a href="/entries/PHUB001825">2,5-dihydroxy-p-cymene</a> / <a href="/entries/PHUB001826">2-(2-hydroxy-4-methylphenyl)propan-1-ol</a> / <a href="/entries/PHUB001827">5-hydroxymethyl-2-(1-methylethyl)phenol</a> / <a href="/entries/PHUB001828">3-hydroxy-4-(1-methylethyl)benzoic acid</a> / <a href="/entries/PHUB001830">2-(2-hydroxy-4-methylphenyl)propionic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000096">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="97"><td></td><td><a href="/entries/PHUB000097">Tricyclene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000097</td><td>97</td><td>136.125200515</td><td>C<sub>10</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000097/image.svg" src="" /></td><td>RRBYUSWBLVXTQN-UHFFFAOYSA-N</td><td></td><td>1,7,7-trimethyltricyclo[2.2.1.0^{2,6}]heptane</td><td>136.238</td><td>1.08e-02 g/l</td><td>3.43</td><td>-4.10</td><td>InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3</td><td>CC12C3CC(CC13)C2(C)C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000097">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="98"><td></td><td><a href="/entries/PHUB000098">Vitispirane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000098</td><td>98</td><td>192.151415264</td><td>C<sub>13</sub>H<sub>20</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000098/image.svg" src="" /></td><td>DUPDJVDPPBFBPL-UHFFFAOYSA-N</td><td></td><td>2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene</td><td>192.302</td><td>2.14e-02 g/l</td><td>4.25</td><td>-3.95</td><td>InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3</td><td>CC1CCC2(O1)C(=C)C=CCC2(C)C</td><td>-4.221549307460428</td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000098">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="99"><td></td><td><a href="/entries/PHUB000099">Absinthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000099</td><td>99</td><td>496.282489008</td><td>C<sub>30</sub>H<sub>40</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Absynthin</td><td class="structure"><img data-src="/structures/PHUB000099/image.svg" src="" /></td><td>PZHWYURJZAPXAN-JJLFJVKSSA-N</td><td></td><td>(1R,8S,12S,15S,17S,21S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.0^{1,16}.0^{2,14}.0^{4,13}.0^{5,9}.0^{20,24}]hexacosa-3,25-diene-7,22-dione</td><td>496.644</td><td>1.44e-02 g/l</td><td>3.38</td><td>-4.54</td><td>InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16?,17?,18+,20?,21?,22?,23?,24?,25?,28-,29-,30+/m0/s1</td><td>C[C@H]1C2CC[C@](C)(O)C3C4[C@H]5C=C(C)[C@@]6(C7OC(=O)[C@@H](C)C7CC[C@](C)(O)C56)C4C(C)=C3C2OC1=O</td><td>-2.9139101124541504</td><td>14.41873708920738</td><td><a href="/food_sources/1">Absinthe</a> / <a href="/food_sources/153">Vermouth</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000099">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="100"><td></td><td><a href="/entries/PHUB000100">Achillin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000100</td><td>100</td><td>246.12559444</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Santolin</td><td class="structure"><img data-src="/structures/PHUB000100/image.svg" src="" /></td><td>BJPSSVHNEGMBDQ-OAACRXHESA-N</td><td></td><td>(3R,3aS,9aS,9bS)-3,6,9-trimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione</td><td>246.306</td><td>3.93e-01 g/l</td><td>2.18</td><td>-2.80</td><td>InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1</td><td>C[C@@H]1[C@@H]2CCC(C)=C3[C@@H]([C@H]2OC1=O)C(C)=CC3=O</td><td>-5.144736140762841</td><td>16.229932125216923</td><td><a href="/food_sources/30">Chamomile tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000100">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="101"><td></td><td><a href="/entries/PHUB000101">African-2(6)-ene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000101</td><td>101</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000101/image.svg" src="" /></td><td>OAETXESJELUDBP-UHFFFAOYSA-N</td><td></td><td>3,3,5,7b-tetramethyl-1H,1aH,2H,3H,4H,5H,6H,7H,7bH-cyclopropa[e]azulene</td><td>204.357</td><td>1.26e-02 g/l</td><td>5.45</td><td>-4.21</td><td>InChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h10-11H,5-9H2,1-4H3</td><td>CC1CCC2=C1CC(C)(C)CC1CC21C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000101">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="102"><td></td><td><a href="/entries/PHUB000102">Aromadandrene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000102</td><td>102</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,1,2-trimethyl-5-methylidene-decahydro-1H-cyclopropa[e]azulene; Aromadendrene ((+)-)</td><td class="structure"><img data-src="/structures/PHUB000102/image.svg" src="" /></td><td>ITYNGVSTWVVPIC-UHFFFAOYSA-N</td><td></td><td>1,1,7-trimethyl-4-methylidene-decahydro-1H-cyclopropa[e]azulene</td><td>204.357</td><td>2.37e-03 g/l</td><td>3.70</td><td>-4.94</td><td>InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3</td><td>CC1CCC2C1C1C(CCC2=C)C1(C)C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000102">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="103"><td></td><td><a href="/entries/PHUB000103">Bisabolen-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000103</td><td>103</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene</td><td class="structure"><img data-src="/structures/PHUB000103/image.svg" src="" /></td><td>XZRVRYFILCSYSP-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene</td><td>204.357</td><td>8.41e-03 g/l</td><td>6.01</td><td>-4.39</td><td>InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3</td><td>CC(C)=CCCC(=C)C1CCC(C)=CC1</td><td></td><td></td><td><a href="/food_sources/73">Ginger</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000103">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="104"><td></td><td><a href="/entries/PHUB000104">Bourbonene-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000104</td><td>104</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[5.3.0.0^{2,6}]decane</td><td class="structure"><img data-src="/structures/PHUB000104/image.svg" src="" /></td><td>YIRAHEODBQONHI-ZQNQSHIBSA-N</td><td></td><td>(1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[5.3.0.0^{2,6}]decane</td><td>204.357</td><td>2.41e-03 g/l</td><td>3.47</td><td>-4.93</td><td>InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1</td><td>[H][C@@]12CCC(=C)[C@]1([H])[C@@]1([H])[C@@H](CC[C@@]21C)C(C)C</td><td></td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000104">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="105"><td></td><td><a href="/entries/PHUB000105">Cadinene-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000105</td><td>105</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000105/image.svg" src="" /></td><td>USDOQCCMRDNVAH-KKUMJFAQSA-N</td><td></td><td>(1S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene</td><td>204.357</td><td>
81.05e-02 g/l</td><td>5.29</td><td>-4.29</td><td>InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1</td><td>[H][C@@]12CC(C)=CC[C@@]1([H])C(C)=CC[C@H]2C(C)C</td><td></td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000105">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="106"><td></td><td><a href="/entries/PHUB000106">Cadinene-delta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000106</td><td>106</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000106/image.svg" src="" /></td><td>FUCYIEXQVQJBKY-ZFWWWQNUSA-N</td><td></td><td>(1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene</td><td>204.357</td><td>4.15e-02 g/l</td><td>4.92</td><td>-3.69</td><td>InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1</td><td>[H][C@@]12C=C(C)CCC1=C(C)CC[C@H]2C(C)C</td><td></td><td></td><td><a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000106">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="107"><td></td><td><a href="/entries/PHUB000107">Cadinene-gamma</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000107</td><td>107</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000107/image.svg" src="" /></td><td>WRHGORWNJGOVQY-RBSFLKMASA-N</td><td></td><td>(1R,4aS,8aS)-7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene</td><td>204.357</td><td>5.94e-03 g/l</td><td>4.48</td><td>-4.54</td><td>InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1</td><td>[H][C@]12CCC(C)=C[C@]1([H])[C@H](CCC2=C)C(C)C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000107">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="108"><td></td><td><a href="/entries/PHUB000108">Cadinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000108</td><td>108</td><td>222.198365457</td><td>C<sub>15</sub>H<sub>26</sub>O</td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000108/image.svg" src="" /></td><td>LHYHMMRYTDARSZ-UHFFFAOYSA-N</td><td></td><td>1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol</td><td>222.372</td><td>5.57e-02 g/l</td><td>3.52</td><td>-3.60</td><td>InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3</td><td>CC(C)C1CCC(C)(O)C2CCC(C)=CC12</td><td>-0.5880059181230378</td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000108">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="109"><td></td><td><a href="/entries/PHUB000109">Calamenene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000109</td><td>109</td><td>202.172150708</td><td>C<sub>15</sub>H<sub>22</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000109/image.svg" src="" /></td><td>PGTJIOWQJWHTJJ-STQMWFEESA-N</td><td></td><td>(1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene</td><td>202.341</td><td>1.57e-04 g/l</td><td>5.60</td><td>-6.11</td><td>InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1</td><td>CC(C)[C@@H]1CC[C@H](C)C2=CC=C(C)C=C12</td><td></td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000109">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="110"><td></td><td><a href="/entries/PHUB000110">Capsidiol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000110</td><td>110</td><td>236.177630013</td><td>C<sub>15</sub>H<sub>24</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol1be</td><td class="structure"><img data-src="/structures/PHUB000110/image.svg" src="" /></td><td>BXXSHQYDJWZXPB-OKNSCYNVSA-N</td><td></td><td>(1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol</td><td>236.355</td><td>8.47e-01 g/l</td><td>2.70</td><td>-2.45</td><td>InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1</td><td>C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C</td><td>-2.870269296051214</td><td>14.349248791835814</td><td><a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000110">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="111"><td></td><td><a href="/entries/PHUB000111">Caryophyllen-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000111</td><td>111</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Caryophyllen; Caryophyllen (trans-)</td><td class="structure"><img data-src="/structures/PHUB000111/image.svg" src="" /></td><td>NPNUFJAVOOONJE-GFUGXAQUSA-N</td><td></td><td>(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene</td><td>204.357</td><td>3.01e-03 g/l</td><td>5.35</td><td>-4.83</td><td>InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1</td><td>[H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C</td><td></td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/114">Pepper</a></td><td><a href="/entries/PHUB000928">14-Hydroxycaryophyllene-5,6-oxide</a> / <a href="/entries/PHUB000929">Caryophyllene-5,6-oxide-2,12-glycol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000111">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="112"><td></td><td><a href="/entries/PHUB000112">Cedrene-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000112</td><td>112</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000112/image.svg" src="" /></td><td>DYLPEFGBWGEFBB-DPORPMIOSA-N</td><td></td><td>(2R,5S,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.0^{1,5}]undecane</td><td>204.357</td><td>1.31e-03 g/l</td><td>4.50</td><td>-5.19</td><td>InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15?/m1/s1</td><td>[H][C@@]12CC3(CCC1=C)[C@H](C)CC[C@@]3([H])C2(C)C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000112">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="113"><td></td><td><a href="/entries/PHUB000113">Copaene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000113</td><td>113</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000113/image.svg" src="" /></td><td>VLXDPFLIRFYIME-XIQJJJERSA-N</td><td></td><td>(1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0^{2,7}]dec-3-ene</td><td>204.357</td><td>1.81e-03 g/l</td><td>3.75</td><td>-5.05</td><td>InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1</td><td>[H][C@@]12C3C(C)=CC[C@]1([H])[C@]3(C)CC[C@H]2C(C)C</td><td></td><td></td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000113">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="114"><td></td><td><a href="/entries/PHUB000114">Cubebene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000114</td><td>114</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000114/image.svg" src="" /></td><td>XUEHVOLRMXNRKQ-ANLGBYQQSA-N</td><td></td><td>(1R,7S,10R)-4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0^{1,5}]dec-3-ene</td><td>204.357</td><td>1.84e-03 g/l</td><td>3.88</td><td>-5.05</td><td>InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13?,14?,15+/m1/s1</td><td>CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(C)C2C13</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000114">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="115"><td></td><td><a href="/entries/PHUB000115">Curcumene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000115</td><td>115</td><td>202.172150708</td><td>C<sub>15</sub>H<sub>22</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000115/image.svg" src="" /></td><td>VMYXUZSZMNBRCN-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(6-methylhept-5-en-2-yl)benzene</td><td>202.341</td><td>9.91e-04 g/l</td><td>6.15</td><td>-5.31</td><td>InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3</td><td>CC(CCC=C(C)C)C1=CC=C(C)C=C1</td><td></td><td></td><td><a href="/food_sources/73">Ginger</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000115">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="116"><td></td><td><a href="/entries/PHUB000116">Deoxylactucin (8-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000116</td><td>116</td><td>260.104858995</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000116/image.svg" src="" /></td><td>NIYXMGSLECQTQT-BPNCWPANSA-N</td><td></td><td>(3aS,9aS,9bS)-9-(hydroxymethyl)-6-methyl-3-methylidene-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione</td><td>260.289</td><td>1.05e+00 g/l</td><td>0.99</td><td>-2.39</td><td>InChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1</td><td>CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O</td><td>-2.7605630390411546</td><td>
814.95496675496315</td><td><a href="/food_sources/34">Chicory</a> / <a href="/food_sources/89">Lettuce</a></td><td><a href="/entries/PHUB002860">8-Deoxylactucin glucuronide</a> / <a href="/entries/PHUB002863">8-Deoxylactucin 15-sulfate</a> / <a href="/entries/PHUB000116">Deoxylactucin (8-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000116">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="117"><td></td><td><a href="/entries/PHUB000117">Elemene-gamma</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000117</td><td>117</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000117/image.svg" src="" /></td><td>BQSLMQNYHVFRDT-LSDHHAIUSA-N</td><td></td><td>(1S,2S)-1-ethenyl-1-methyl-2-(prop-1-en-2-yl)-4-(propan-2-ylidene)cyclohexane</td><td>204.357</td><td>9.10e-03 g/l</td><td>5.09</td><td>-4.35</td><td>InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m0/s1</td><td>CC(C)=C1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000117">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="118"><td></td><td><a href="/entries/PHUB000118">Farnesal</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000118</td><td>118</td><td>220.182715393</td><td>C<sub>15</sub>H<sub>24</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000118/image.svg" src="" /></td><td>YHRUHBBTQZKMEX-UHFFFAOYSA-N</td><td></td><td>3,7,11-trimethyldodeca-2,6,10-trienal</td><td>220.356</td><td>3.29e-02 g/l</td><td>5.56</td><td>-3.83</td><td>InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3</td><td>CC(C)=CCCC(C)=CCCC(C)=CC=O</td><td>-4.056097311875405</td><td></td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000118">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="119"><td></td><td><a href="/entries/PHUB000119">Farnesene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000119</td><td>119</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000119/image.svg" src="" /></td><td>CXENHBSYCFFKJS-UHFFFAOYSA-N</td><td></td><td>3,7,11-trimethyldodeca-1,3,6,10-tetraene</td><td>204.357</td><td>5.19e-03 g/l</td><td>5.70</td><td>-4.60</td><td>InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3</td><td>[H]C(CC([H])=C(C)C=C)=C(C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/112">Pear</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000119">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="120"><td></td><td><a href="/entries/PHUB000120">Farnesene-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000120</td><td>120</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000120/image.svg" src="" /></td><td>JSNRRGGBADWTMC-UHFFFAOYSA-N</td><td></td><td>7,11-dimethyl-3-methylidenedodeca-1,6,10-triene</td><td>204.357</td><td>3.38e-03 g/l</td><td>5.70</td><td>-4.78</td><td>InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3</td><td>[H]C(CCC(=C)C=C)=C(C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000120">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="121"><td></td><td><a href="/entries/PHUB000121">Farnesol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000121</td><td>121</td><td>222.198365457</td><td>C<sub>15</sub>H<sub>26</sub>O</td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,7,11-trimethyldodeca-2,6,10-trien-1-ol</td><td class="structure"><img data-src="/structures/PHUB000121/image.svg" src="" /></td><td>CRDAMVZIKSXKFV-UHFFFAOYSA-N</td><td></td><td>3,7,11-trimethyldodeca-2,6,10-trien-1-ol</td><td>222.372</td><td>5.87e-02 g/l</td><td>4.84</td><td>-3.58</td><td>InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3</td><td>CC(C)=CCCC(C)=CCCC(C)=CCO</td><td>-2.2170474067294528</td><td>16.33002421872553</td><td><a href="/food_sources/7">Apple</a></td><td><a href="/entries/PHUB000933">3,7-Dimethyl-2-octaen-1,8-dioic acid</a> / <a href="/entries/PHUB000934">3,7-Dimethyl-6-octaen-1,8-dioic acid</a> / <a href="/entries/PHUB000935">3,7-Dimethyl-2,7-decadien-1,10-dioic acid</a> / <a href="/entries/PHUB000936">3,7-Dimethyl-octan-1,8-dioic acid</a> / <a href="/entries/PHUB000937">3,7-Dimethyl-7-decaen-1,10-dioic acid</a> / <a href="/entries/PHUB000938">Farnesol glucuronide</a> / <a href="/entries/PHUB000939">12-Hydroxyfarnesol</a> / <a href="/entries/PHUB000940">Hydroxyfarnesol glucuronide</a> / <a href="/entries/PHUB000118">Farnesal</a> / <a href="/entries/PHUB000942">Farnesoic acid</a> / <a href="/entries/PHUB000943">Farnesyl monophosphate</a> / <a href="/entries/PHUB000944">Farnesyl pyrophosphate</a> / <a href="/entries/PHUB001818">Hildebrandt acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000121">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="122"><td></td><td><a href="/entries/PHUB000122">Germacrene B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000122</td><td>122</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000122/image.svg" src="" /></td><td>GAIBLDCXCZKKJE-YZJXYJLZSA-N</td><td></td><td>(1E,6E)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene</td><td>204.357</td><td>2.16e-03 g/l</td><td>5.64</td><td>-4.98</td><td>InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11
8H2,1-2,4H3/b10-8+,14-7+</td><td>CC(C)C1CC\C(C)=C\CCC(=C)\C=C\1</td><td></td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000122">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="123"><td></td><td><a href="/entries/PHUB000123">Guaiene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000123</td><td>123</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000123/image.svg" src="" /></td><td>ADIDQIZBYUABQK-RWMBFGLXSA-N</td><td></td><td>(1S,4S,7R)-1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene</td><td>204.357</td><td>2.34e-02 g/l</td><td>5.80</td><td>-3.94</td><td>InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1</td><td>C[C@H]1CCC2=C1C[C@@H](CC[C@@H]2C)C(C)=C</td><td></td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000123">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="124"><td></td><td><a href="/entries/PHUB000124">Gurjunene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000124</td><td>124</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000124/image.svg" src="" /></td><td>SPCXZDDGSGTVAW-XIDUGBJDSA-N</td><td></td><td>(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1H,1aH,2H,3H,4H,4aH,5H,6H,7bH-cyclopropa[e]azulene</td><td>204.357</td><td>1.23e-02 g/l</td><td>4.45</td><td>-4.22</td><td>InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1</td><td>C[C@@H]1CC[C@@H]2[C@H](C3=C(C)CC[C@H]13)C2(C)C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000124">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="125"><td></td><td><a href="/entries/PHUB000125">Gurjunene-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000125</td><td>125</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000125/image.svg" src="" /></td><td>IRCZVRWQUNZGSH-DKTYCGPESA-N</td><td></td><td>(1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidene-decahydro-1H-cyclopropa[e]azulene</td><td>204.357</td><td>2.40e-03 g/l</td><td>3.75</td><td>-4.93</td><td>InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-14H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,14-/m1/s1</td><td>C[C@@H]1CC[C@@H]2[C@H]([C@H]3[C@@H]1CCC3=C)C2(C)C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000125">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="126"><td></td><td><a href="/entries/PHUB000126">Gurjunene-gamma</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000126</td><td>126</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000126/image.svg" src="" /></td><td>DUYRYUZIBGFLDD-ZXCYLUJYSA-N</td><td></td><td>(3aR,4R,7R)-1,4-dimethyl-7-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene</td><td>204.357</td><td>5.51e-03 g/l</td><td>5.73</td><td>-4.57</td><td>InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11-14H,1,5-8H2,2-4H3/t11-,12?,13-,14-/m1/s1</td><td>CC1CC[C@@H]2[C@H](C)CC[C@H](C=C12)C(C)=C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000126">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="127"><td></td><td><a href="/entries/PHUB000127">Heliangin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000127</td><td>127</td><td>362.172938557</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Heliangine</td><td class="structure"><img data-src="/structures/PHUB000127/image.svg" src="" /></td><td>DZTWAOVNNLDWNH-AUWKULLQSA-N</td><td></td><td>(1R,2R,4R,6R,8S,9Z,11R)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0^{4,6}]tetradec-9-en-2-yl (2Z)-2-methylbut-2-enoate</td><td>362.422</td><td>2.96e-01 g/l</td><td>1.45</td><td>-3.09</td><td>InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15+,16+,17-,20+/m0/s1</td><td>C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@H](O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12</td><td>-3.006825452782963</td><td>14.524400735759391</td><td><a href="/food_sources/81">Jerusalem artichoke</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/143">Sunflower</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000127">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="128"><td></td><td><a href="/entries/PHUB000128">Himachalen-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000128</td><td>128</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000128/image.svg" src="" /></td><td>ZJSIKVDEOWWVEH-UHFFFAOYSA-N</td><td></td><td>3,5,5-trimethyl-9-methylidene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene</td><td>204.357</td><td>2.62e-03 g/l</td><td>5.13</td><td>-4.89</td><td>InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3</td><td>CC1=CC2C(CC1)C(=C)CCCC2(C)C</td><td></td><td></td><td><a href="/food_sources/7">Apple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000128">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="129"><td></td><td><a href="/entries/PHUB000129">Himachalen-gamma</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000129</td><td>129</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000129/image.svg" src="" /></td><td>PUWNTRHCKNHSAT-UHFFFAOYSA-N</td><td></td><td>3,5,5,9-tetramethyl-2,4a,5,6,7,9a-hexahydro-1H-benzo[7]annulene</td><td>204.357</td><td>8.46e-03 g/l</td><td>5.57</td><td>-4.38</td><td>InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h6,10,13-14H,5,7-9H2,1-4H3</td><td>CC1=CC2C(CC1)C(C)=CCCC2(C)C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000129">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="130"><td></td><td><a href="/entries/PHUB000130">Humulene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000130</td><td>130</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Caryophyllene-alpha; Didymocarpene; Humulene</td><td class="structure"><img data-src="/structures/PHUB000130/image.svg" src="" /></td><td>FAMPSKZZVDUYOS-HRGUGZIWSA-N</td><td></td><td></td><td>204.357</td><td>
81.08e-02 g/l</td><td>6.07</td><td>-4.28</td><td>InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+</td><td>C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1</td><td></td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000130">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="131"><td></td><td><a href="/entries/PHUB000131">Ipomoeamarone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000131</td><td>131</td><td>250.156894568</td><td>C<sub>15</sub>H<sub>22</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000131/image.svg" src="" /></td><td>WOFDWNOSFDVCDF-UHFFFAOYSA-N</td><td></td><td>1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one</td><td>250.338</td><td>4.08e-02 g/l</td><td>3.39</td><td>-3.79</td><td>InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3</td><td>CC(C)CC(=O)CC1(C)CCC(O1)C1=COC=C1</td><td>-2.868678686284605</td><td></td><td><a href="/food_sources/150">Sweet potato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000131">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="132"><td></td><td><a href="/entries/PHUB000132">Isocaryophyllene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000132</td><td>132</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Caryophyllene-gamma</td><td class="structure"><img data-src="/structures/PHUB000132/image.svg" src="" /></td><td>NPNUFJAVOOONJE-FLFDDASRSA-N</td><td></td><td>(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene</td><td>204.357</td><td>3.01e-03 g/l</td><td>5.35</td><td>-4.83</td><td>InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1</td><td>[H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C/CCC2=C</td><td></td><td></td><td><a href="/food_sources/37">Cloves</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000132">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="133"><td></td><td><a href="/entries/PHUB000133">Lactucin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000133</td><td>133</td><td>276.099773615</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000133/image.svg" src="" /></td><td>VJQAFLAZRVKAKM-UHFFFAOYSA-N</td><td></td><td>4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione</td><td>276.288</td><td>6.84e+00 g/l</td><td>-0.28</td><td>-1.61</td><td>InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3</td><td>CC1=C2C(C3OC(=O)C(=C)C3C(O)C1)C(CO)=CC2=O</td><td>-2.760564152181555</td><td>14.501448515250594</td><td><a href="/food_sources/34">Chicory</a> / <a href="/food_sources/89">Lettuce</a></td><td><a href="/entries/PHUB002278">Lactucin sulfate</a> / <a href="/entries/PHUB002280">Lactucin glucuronide</a> / <a href="/entries/PHUB000133">Lactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000133">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="134"><td></td><td><a href="/entries/PHUB000134">Lactupicrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000134</td><td>134</td><td>410.136553048</td><td>C<sub>23</sub>H<sub>22</sub>O<sub>7</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Intibin</td><td class="structure"><img data-src="/structures/PHUB000134/image.svg" src="" /></td><td>UMVSOHBRAQTGQI-XGARDCMYSA-N</td><td></td><td>(3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate</td><td>410.422</td><td>8.77e-02 g/l</td><td>1.99</td><td>-3.67</td><td>InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1</td><td>CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O</td><td>-2.7605641572173</td><td>9.496422100642308</td><td><a href="/food_sources/34">Chicory</a> / <a href="/food_sources/89">Lettuce</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000134">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="135"><td></td><td><a href="/entries/PHUB000135">Longifolene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000135</td><td>135</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Junipene; Kiromatsuene</td><td class="structure"><img data-src="/structures/PHUB000135/image.svg" src="" /></td><td>PDSNLYSELAIEBU-UHFFFAOYSA-N</td><td></td><td>3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0^{2,9}]undecane</td><td>204.357</td><td>1.26e-03 g/l</td><td>4.65</td><td>-5.21</td><td>InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3</td><td>CC12CCCC(C)(C)C3C(CCC13)C2=C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td><a href="/entries/PHUB000931">14-hydroxyisolongifoldaldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000135">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="136"><td></td><td><a href="/entries/PHUB000136">Lubimin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000136</td><td>136</td><td>236.177630013</td><td>C<sub>15</sub>H<sub>24</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000136/image.svg" src="" /></td><td>CEVNHRPKRNTGKO-ZSAUSMIDSA-N</td><td></td><td>(2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carbaldehyde</td><td>236.355</td><td>1.15e-01 g/l</td><td>2.38</td><td>-3.31</td><td>InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1</td><td>C[C@@H]1C[C@H](O)C[C@H](C=O)[C@]11CC[C@H](C1)C(C)=C</td><td>-2.699829526325887</td><td>15.224898869195531</td><td><a href="/food_sources/58">Damaged potato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000136">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="137"><td></td><td><a href="/entries/PHUB000137">Matricin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000137</td><td>137</td><td>306.146723808</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Proazulene</td><td class="structure"><img data-src="/structures/PHUB000137/image.svg" src="" /></td><td>SYTRJRUSWMMZLV-UHFFFAOYSA-N</td><td>29041-35-8</td><td>9-hydroxy-3,6,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,9H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate</td><td>306.358</td><td>8.96e-01 g/l</td><td>1.84</td><td>-2.53</td><td>InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3</td><td>CC1C2C(OC1=O)C1C(C=CC1(C)O)=C(C)CC2OC(C)=O</td><td>-3.133392285683159</td><td>14.235042785360863</td><td><a href="/food_sources/30">Chamomile tea</a> / <a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000137">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="138"><td></td><td><a href="/entries/PHUB000138">Muurolene-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000138</td><td>138</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000138/image.svg" src="" /></td><td>QMAYBMKBYCGXDH-UHFFFAOYSA-N</td><td></td><td>4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene</td><td>204.357</td><td>
81.03e-02 g/l</td><td>5.00</td><td>-4.30</td><td>InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3</td><td>CC(C)C1CC=C(C)C2CCC(C)=CC12</td><td></td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000138">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="139"><td></td><td><a href="/entries/PHUB000139">Muurolene-gamma</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000139</td><td>139</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000139/image.svg" src="" /></td><td>WRHGORWNJGOVQY-UHFFFAOYSA-N</td><td></td><td>7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene</td><td>204.357</td><td>5.94e-03 g/l</td><td>4.48</td><td>-4.54</td><td>InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3</td><td>CC(C)C1CCC(=C)C2CCC(C)=CC12</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000139">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="140"><td></td><td><a href="/entries/PHUB000140">Nobilin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000140</td><td>140</td><td>346.178023937</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000140/image.svg" src="" /></td><td>QFINJHBXXJQKPB-QLDBJWRKSA-N</td><td></td><td>9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate</td><td>346.423</td><td>9.95e-02 g/l</td><td>2.15</td><td>-3.54</td><td>InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+</td><td>[H]\C(C)=C(/C)C(=O)OC1C\C(C)=C([H])\CC(O)\C(C)=C([H])\C2OC(=O)C(=C)C12</td><td>-2.9935354730536687</td><td>14.554784191941438</td><td><a href="/food_sources/30">Chamomile tea</a> / <a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000140">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="141"><td></td><td><a href="/entries/PHUB000141">Nootkatone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000141</td><td>141</td><td>218.167065328</td><td>C<sub>15</sub>H<sub>22</sub>O</td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000141/image.svg" src="" /></td><td>WTOYNNBCKUYIKC-JMSVASOKSA-N</td><td></td><td>(4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one</td><td>218.34</td><td>2.88e-02 g/l</td><td>3.89</td><td>-3.88</td><td>InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1</td><td>C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C</td><td>-4.825729591983798</td><td>18.412459882920057</td><td><a href="/food_sources/77">Grapefruit</a></td><td><a href="/entries/PHUB000930">Nootkatone-13,14-diol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000141">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="142"><td></td><td><a href="/entries/PHUB000142">Patchoulen-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000142</td><td>142</td><td>190.172150708</td><td>C<sub>14</sub>H<sub>22</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000142/image.svg" src="" /></td><td>ZPKGZYDIXRIBAI-UHFFFAOYSA-N</td><td></td><td>5,11,11-trimethyltricyclo[6.2.1.0^{2,6}]undec-2(6)-ene</td><td>190.33</td><td>3.06e-02 g/l</td><td>4.84</td><td>-3.79</td><td>InChI=1S/C14H22/c1-9-4-6-11-12(9)8-10-5-7-13(11)14(10,2)3/h9-10,13H,4-8H2,1-3H3</td><td>CC1CCC2=C1CC1CCC2C1(C)C</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000142">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="143"><td></td><td><a href="/entries/PHUB000143">Phytuberin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000143</td><td>143</td><td>294.183109317</td><td>C<sub>17</sub>H<sub>26</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000143/image.svg" src="" /></td><td>YARAJYKHRCCDLG-XLNGHYISSA-N</td><td></td><td>2-[(1R,5R,8S,11R)-5,8-dimethyl-2,6-dioxatricyclo[6.4.0.0^{1,5}]dodec-3-en-11-yl]propan-2-yl acetate</td><td>294.391</td><td>8.24e-03 g/l</td><td>3.66</td><td>-4.55</td><td>InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1</td><td>[H][C@]1(CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1)C(C)(C)OC(C)=O</td><td>-4.11312517597911</td><td></td><td><a href="/food_sources/58">Damaged potato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000143">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="144"><td></td><td><a href="/entries/PHUB000144">Rishitin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000144</td><td>144</td><td>222.161979948</td><td>C<sub>14</sub>H<sub>22</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000144/image.svg" src="" /></td><td>XSCYYIVXGBKTOC-GZZJDILISA-N</td><td></td><td>(1S,2R,3R,7R)-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol</td><td>222.328</td><td>1.51e+00 g/l</td><td>1.91</td><td>-2.17</td><td>InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1</td><td>[H]O[C@@H]1CC2=C(C([H])([H])[C@@H](CC2)C(=C([H])[H])C([H])([H])[H])[C@@]([H])([C@H
8]1O[H])C([H])([H])[H]</td><td>-3.1825271361161964</td><td>13.693797446447238</td><td><a href="/food_sources/58">Damaged potato</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000144">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="145"><td></td><td><a href="/entries/PHUB000145">Rotundone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000145</td><td>145</td><td>218.167065328</td><td>C<sub>15</sub>H<sub>22</sub>O</td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000145/image.svg" src="" /></td><td>NUWMTBMCSQWPDG-UHFFFAOYSA-N</td><td></td><td>3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-one</td><td>218.34</td><td>1.11e-01 g/l</td><td>4.04</td><td>-3.29</td><td>InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3</td><td>CC1CC(=O)C2=C1CC(CCC2C)C(C)=C</td><td>-4.970019100795242</td><td></td><td><a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/114">Pepper</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000145">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="146"><td></td><td><a href="/entries/PHUB000146">Selinene-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000146</td><td>146</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000146/image.svg" src="" /></td><td>YOVSPTNQHMDJAG-QLFBSQMISA-N</td><td></td><td>(4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)-decahydronaphthalene</td><td>204.357</td><td>3.28e-03 g/l</td><td>5.26</td><td>-4.79</td><td>InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1</td><td>[H][C@@]12C[C@@H](CC[C@@]1(C)CCCC2=C)C(C)=C</td><td></td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000146">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="147"><td></td><td><a href="/entries/PHUB000147">Sesquiphellandrene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000147</td><td>147</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000147/image.svg" src="" /></td><td>PHWISBHSBNDZDX-UHFFFAOYSA-N</td><td></td><td>3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohex-1-ene</td><td>204.357</td><td>2.03e-03 g/l</td><td>5.71</td><td>-5.00</td><td>InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3</td><td>CC(CCC=C(C)C)C1CCC(=C)C=C1</td><td></td><td></td><td><a href="/food_sources/73">Ginger</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000147">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="148"><td></td><td><a href="/entries/PHUB000148">Sinensal-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000148</td><td>148</td><td>218.167065328</td><td>C<sub>15</sub>H<sub>22</sub>O</td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000148/image.svg" src="" /></td><td>PFSTYGCNVAVZBK-JQGMZEBDSA-N</td><td></td><td>(2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal</td><td>218.34</td><td>1.62e-02 g/l</td><td>5.06</td><td>-4.13</td><td>InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+</td><td>C\C(CC\C=C(/C)C=O)=C/C\C=C(/C)C=C</td><td>-4.173218683361245</td><td></td><td><a href="/food_sources/149">Sweet orange</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000148">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="149"><td></td><td><a href="/entries/PHUB000149">Sinensal-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000149</td><td>149</td><td>218.167065328</td><td>C<sub>15</sub>H<sub>22</sub>O</td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000149/image.svg" src="" /></td><td>NOPLRNXKHZRXHT-YFVJMOTDSA-N</td><td></td><td>(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal</td><td>218.34</td><td>6.92e-03 g/l</td><td>4.81</td><td>-4.50</td><td>InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+</td><td>C\C(CC\C=C(/C)C=O)=C/CCC(=C)C=C</td><td>-4.173217367722673</td><td></td><td><a href="/food_sources/149">Sweet orange</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000149">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="150"><td></td><td><a href="/entries/PHUB000150">Theaspirane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000150</td><td>150</td><td>194.167065328</td><td>C<sub>13</sub>H<sub>22</sub>O</td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000150/image.svg" src="" /></td><td>GYUZHTWCNKINPY-YPMHNXCESA-N</td><td></td><td>(2R,5R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene</td><td>194.318</td><td>3.19e-02 g/l</td><td>4.29</td><td>-3.79</td><td>InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1</td><td>C[C@@H]1CC[C@]2(O1)C(C)=CCCC2(C)C</td><td>-4.219229363935523</td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000150">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="151"><td></td><td><a href="/entries/PHUB000151">Trans-Muurola-4(14),5-diene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000151</td><td>151</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000151/image.svg" src="" /></td><td>RNDFUOKDULDZPR-AMIUJLCOSA-N</td><td></td><td>(1S,4R)-4-methyl-7-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene</td><td>204.357</td><td>5.45e-03 g/l</td><td>5.48</td><td>-4.57</td><td>InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13+,14?/m1/s1</td><td>CC(C)[C@@H]1CC[C@@H](C)C2CCC(=C)C=C12</td><td></td><td></td><td><a href="/food_sources/31">Cheese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000151">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="152"><td></td><td><a href="/entries/PHUB000152">Valencene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000152</td><td>152</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000152/image.svg" src="" /></td><td>QEBNYNLSCGVZOH-NFAWXSAZSA-N</td><td></td><td>(3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene</td><td>204.357</td><td>2.87e-03 g/l</td><td>5.86</td><td>-4.85</td><td>InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1</td><td>C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C</td><td></td><td></td><td><a href="/food_sources/103">Orange juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000152">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="153"><td></td><td><a href="/entries/PHUB000153">Ylangene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000153</td><td>153</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>8-isocopaene</td><td class="structure"><img data-src="/structures/PHUB000153/image.svg" src="" /></td><td>VLXDPFLIRFYIME-MWHZVNNOSA-N</td><td></td><td>(1S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0^{2,7}]dec-3-ene</td><td>204.357</td><td>1.81e-03 g/l</td><td>3.75</td><td>-5.05</td><td>InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m0/s1</td><td>CC(C)C1CC[C@@]2(C)C3CC=C(C)C2C13</td><td></td><td></td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000153">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="154"><td></td><td><a href="/entries/PHUB000154">Zingiberene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000154</td><td>154</td><td>204.187800773</td><td>C<sub>15</sub>H<sub>24</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000154/image.svg" src="" /></td><td>KKOXKGNSUHTUBV-LSDHHAIUSA-N</td><td></td><td>(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene</td><td>204.357</td><td>6.31e-03 g/l</td><td>5.77</td><td>-4.51</td><td>InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1</td><td>[H][C@@]1(CC=C(C)C=C1)[C@@H](C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/73">Ginger</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000154">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="155"><td></td><td><a href="/entries/PHUB000155">2-alpha-hydroxy-3-beta-{[(2Z)-3-phenyl-1-oxo-2-propenyl]oxy}olean-12-en-28-oic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000155</td><td>155</td><td>602.397124839</td><td>C<sub>39</sub>H<sub>54</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000155/image.svg" src="" /></td><td>QYNZDAXHBDWWFS-UDUPULDKSA-N</td><td></td><td>11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[(2Z)-3-phenylprop-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid</td><td>602.856</td><td>2.18e-04 g/l</td><td>7.65</td><td>-6.44</td><td>InChI=1S/C39H54O5/c1-34(2)19-21-39(33(42)43)22-20-37(6)26(27(39)23-34)14-15-30-36(5)24-28(40)32(35(3,4)29(36)17-18-38(30,37)7)44-31(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-30,32,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13-/t27?,28-,29+,30?,32+,36+,37-,38-,39+/m1/s1</td><td>[H]C12CCC3(C)C(CC=C4C5CC(C)(C)CCC5(CCC34C)C(O)=O)C1(C)CC(O)C(OC(=O)\C=C/C1=CC=CC=C1)C2(C)C</td><td>-3.1748220896893993</td><td>4.74425919240689</td><td><a href="/food_sources/7">Apple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000155">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="156"><td></td><td><a href="/entries/PHUB000156">Alphitolic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000156</td><td>156</td><td>470.339609961</td><td>C<sub>30</sub>H<sub>46</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(1R,3aS,5aS,5bR,9R,10R,11aR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7</td><td class="structure"><img data-src="/structures/PHUB000156/image.svg" src="" /></td><td>YVFUWFRLVWFNLF-LAYMWGLGSA-N</td><td></td><td>(1R,3aS,5aS,5bR,9R,10R,11aR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13bH-cyclopenta[a]chrysene-3a-carboxylic acid</td><td>470.694</td><td>4.27e-03 g/l</td><td>5.67</td><td>-5.04</td><td>InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,18,20-24,31-32H,1,9-16H2,2-7H3,(H,33,34)/t18-,20+,21?,22?,23?,24-,27-,28+,29+,30-/m0/s1</td><td>[H]OC(=O)[C@]12CC[C@]([H])(C1C1=CCC3[C@@]4(C)C[C@@]([H])(O[H])[C@]([H])(O[H])C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C</td><td>-3.159816461820133</td><td>4.718131465363965</td><td><a href="/food_sources/82">Jujube</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000156">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="157"><td></td><td><a href="/entries/PHUB000157">Alphitolic acid (3-O-p-coumaroyl-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000157</td><td>157</td><td>618.392039459</td><td>C<sub>39</sub>H<sub>54</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000157/image.svg" src="" /></td><td>AQHKWALTXQHZKK-XNTDXEJSSA-N</td><td></td><td>10-hydroxy-9-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid</td><td>618.855</td><td>5.24e-04 g/l</td><td>6.29</td><td>-6.07</td><td>InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+</td><td>CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)C5CCC34C)C12)C(O)=O</td><td>-3.174815300471448</td><td>4.748302728362151</td><td><a href="/food_sources/82">Jujube</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000157">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="159"><td></td><td><a href="/entries/PHUB000159">Avenacin A-1</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000159</td><td>159</td><td>1093.545758697</td><td>C<sub>55</sub>H<sub>83</sub>NO<sub>21</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000159/image.svg" src="" /></td><td>SYXUBXTYGFJFEH-PFTGTSLFSA-N</td><td></td><td>(2S,3R,4aR,4bS,5aR,6aR,6bR,9S,10R,10aR,12aR,12bS,14S,14aS)-3-formyl-14-hydroxy-9-{[(2S,3R,4S,5S)-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-10-(hydroxymethyl)-3,6b,10,12a,12b,14a-hexamethyl-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl 2-(methylamino)benzoate</td><td>1094.255</td><td>3.14e-01 g/l</td><td>1.30</td><td>-3.54</td><td>InChI=1S/C55H83NO21/c1-49(23-59)17-32-51(3,19-36(49)74-45(69)25-10-8-9-11-26(25)56-7)33(61)18-54(6)53(5)15-12-30-50(2,31(53)16-35-55(32,54)77-35)14-13-34(52(30,4)24-60)75-48-44(76-47-43(68)41(66)38(63)28(21-58)72-47)39(64)29(22-70-48)73-46-42(67)40(65)37(62)27(20-57)71-46/h8-11,23,27-44,46-48,56-58,60-68H,12-22,24H2,1-7H3/t27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,46+,47+,48+,49+,50+,51+,52+,53-,54+,55-/m1/s1</td><td>CNC1=CC=CC=C1C(=O)O[C@H]1C[C@]2(C)[C@@H](O)C[C@]3(C)[C@@]4(O[C@@H]4C[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C[C@@]1(C)C=O</td><td>2.131699965973757</td><td>11.87477210832018</td><td><a href="/food_sources/100">Oat</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000159">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="160"><td></td><td><a href="/entries/PHUB000160">Avenacin B-2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000160</td><td>160</td><td>1048.524294976</td><td>C<sub>54</sub>H<sub>80</sub>O<sub>20</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000160/image.svg" src="" /></td><td>RTMPAEPNXWUCGZ-ITFDNFFVSA-N</td><td></td><td>(2S,3R,4aR,4bS,5aR,6aR,6bR,9S,10aR,12aR,12bS,14S,14aS)-3-formyl-14-hydroxy-9-{[(2S,3R,4S,5S)-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-3,6b,10,10,12a,12b,14a-heptamethyl-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl benzoate</td><td>1049.214</td><td>1.13e-01 g/l</td><td>1.75</td><td>-3.97</td><td>InChI=1S/C54H80O20/c1-48(2)29-13-16-52(6)30(17-34-54(74-34)31-18-49(3,24-57)35(71-44(66)25-11-9-8-10-12-25)20-51(31,5)32(58)19-53(52,54)7)50(29,4)15-14-33(48)72-47-43(73-46-42(65)40(63)37(60)27(22-56)69-46)38(61)28(23-67-47)70-45-41(64)39(62)36(59)26(21-55)68-45/h8-12,24,26-43,45-47,55-56,58-65H,13-23H2,1-7H3/t26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41-,42-,43-,45+,46+,47+,49+,50+,51+,52-,53+,54-/m1/s1</td><td>CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@H]2O[C@]22[C@@H]3C[C@@](C)(C=O)[C@H](C[C@]3(C)[C@@H](O)C[C@@]12C)OC(=O)C1=CC=CC=C1)O[C@@H]1OC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810835766873387</td><td>11.873923173185984</td><td><a href="/food_sources/100">Oat</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000160">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="161"><td></td><td><a href="/entries/PHUB000161">Azukisaponin III</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000161</td><td>161</td><td>810.440171425</td><td>C<sub>42</sub>H<sub>66</sub>O<sub>15</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000161/image.svg" src="" /></td><td>FXYSHYMHTAACSV-UHFFFAOYSA-N</td><td></td><td>6-{[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid</td><td>810.975</td><td>9.20e-02 g/l</td><td>2.24</td><td>-3.95</td><td>InChI=1S/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)</td><td>CC12CCC(C)(CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O</td><td>-3.648377595753678</td><td>3.340259240783751</td><td><a href="/food_sources/11">Azuki bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000161">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="162"><td></td><td><a href="/entries/PHUB000162">Barringtogenol C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000162</td><td>162</td><td>490.36582471</td><td>C<sub>30</sub>H<sub>50</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Jegosapogenol; Theasapogenol B</td><td class="structure"><img data-src="/structures/PHUB000162/image.svg" src="" /></td><td>AYDKOFQQBHRXEW-AAUPIIFFSA-N</td><td></td><td>(3R,4R,4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,10-tetrol</td><td>490.725</td><td>3.16e-02 g/l</td><td>3.77</td><td>-4.19</td><td>InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1</td><td>
8CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O</td><td>-0.8351218782716174</td><td>13.316977398747767</td><td><a href="/food_sources/151">Tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000162">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="163"><td></td><td><a href="/entries/PHUB000163">Betulinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000163</td><td>163</td><td>456.360345406</td><td>C<sub>30</sub>H<sub>48</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2; Betulic acid; Gratiolone; Mairin; Melaleucin; Platanol; Platanolic acid</td><td class="structure"><img data-src="/structures/PHUB000163/image.svg" src="" /></td><td>QGJZLNKBHJESQX-UOTMTCHLSA-N</td><td></td><td>(1R,3aS,5aR,5bR,9S,11aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid</td><td>456.711</td><td>2.04e-04 g/l</td><td>5.34</td><td>-6.35</td><td>InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20?,21?,22?,23-,24?,27-,28+,29+,30-/m0/s1</td><td>CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O</td><td>-0.8351229684482064</td><td>4.748313577998887</td><td><a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/82">Jujube</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000163">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="164"><td></td><td><a href="/entries/PHUB000164">Betulonic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000164</td><td>164</td><td>454.344695341</td><td>C<sub>30</sub>H<sub>46</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(1R,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a</td><td class="structure"><img data-src="/structures/PHUB000164/image.svg" src="" /></td><td>SLJTWDNVZKIDAU-FLPHSFLBSA-N</td><td></td><td>(1R,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid</td><td>454.695</td><td>1.39e-04 g/l</td><td>5.81</td><td>-6.51</td><td>InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30?/m0/s1</td><td>[H]OC(=O)C12CC[C@@]([H])(C(C)=C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2</td><td>-7.470884964482933</td><td>4.748312444687208</td><td><a href="/food_sources/82">Jujube</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000164">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="165"><td></td><td><a href="/entries/PHUB000165">Colubrinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000165</td><td>165</td><td>470.339609961</td><td>C<sub>30</sub>H<sub>46</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Zizyberanalic acid</td><td class="structure"><img data-src="/structures/PHUB000165/image.svg" src="" /></td><td>SLWJVQQNDGLXTK-IMBMMKFRSA-N</td><td></td><td>(1R,2R,5S,8R,9R,10R,13R,14R,15S,16R,18R)-15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icosane-5-carboxylic acid</td><td>470.694</td><td>5.96e-04 g/l</td><td>5.08</td><td>-5.90</td><td>InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1</td><td>[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5([H])[C@@H](CC[C@@]5(CC[C@@]34C)C(O)=O)C(C)=C)[C@@]1(C)[C@H](C=O)[C@@H](O)C2(C)C</td><td>-3.1018548035078797</td><td>4.682465638975039</td><td><a href="/food_sources/82">Jujube</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000165">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="166"><td></td><td><a href="/entries/PHUB000166">Erythrodiol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000166</td><td>166</td><td>442.38108085</td><td>C<sub>30</sub>H<sub>50</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000166/image.svg" src="" /></td><td>PSZDOEIIIJFCFE-OSQDELBUSA-N</td><td></td><td>(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol</td><td>442.728</td><td>3.81e-04 g/l</td><td>6.75</td><td>-6.07</td><td>InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1</td><td>[H][C@@]12CC(C)(C)CC[C@]1(CO)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C</td><td>-0.6408884388998324</td><td>18.92077743176088</td><td><a href="/food_sources/102">Olive oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000166">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="167"><td></td><td><a href="/entries/PHUB000167">Ginsenoside Re</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000167</td><td>167</td><td>946.5501158</td><td>C<sub>48</sub>H<sub>82</sub>O<sub>18</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000167/image.svg" src="" /></td><td>PWAOOJDMFUQOKB-WCZZMFLVSA-N</td><td></td><td>(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol</td><td>947.166</td><td>8.12e-01 g/l</td><td>0.60</td><td>-3.07</td><td>InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@H](CC[C@@]34C)[C@](C)(CCC=C(C)C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.612182629439554</td><td>11.8523276816068</td><td></td><td><a href="/entries/PHUB000169">Ginsenoside Rg1</a> / <a href="/entries/PHUB000953">Ginsenoside Rh1</a> / <a href="/entries/PHUB000954">Ginsenoside Rg2</a> / <a href="/entries/PHUB000955">Ginsenoside F1</a> / <a href="/entries/PHUB000956">Protopanaxatriol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000167">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="168"><td></td><td><a href="/entries/PHUB000168">Ginsenoside Rf</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000168</td><td>168</td><td>800.492206998</td><td>C<sub>42</sub>H<sub>72</sub>O<sub>14</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000168/image.svg" src="" /></td><td>UZIOUZHBUYLDHW-XUBRWZAZSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-7,11-dihydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>801.024</td><td>4.20e-01 g/l</td><td>1.13</td><td>-3.28</td><td>InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1</td><td>CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9275261399973713</td><td>12.088800853764246</td><td><a href="/food_sources/74">Ginseng</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000168">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="169"><td></td><td><a href="/entries/PHUB000169">Ginsenoside Rg1</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000169</td><td>169</td><td>800.492206998</td><td>C<sub>42</sub>H<sub>72</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000169/image.svg" src="" /></td><td>YURJSTAIMNSZAE-HHNZYBFYSA-N</td><td></td><td>(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>801.024</td><td>3.04e-01 g/l</td><td>1.00</td><td>-3.42</td><td>InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1</td><td>CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810835428030016</td><td>11.909332023511933</td><td></td><td><a href="/entries/PHUB000167">Ginsenoside Re</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000169">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="170"><td></td><td><a href="/entries/PHUB000170">Glycyrrhetinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000170</td><td>170</td><td>470.339609961</td><td>C<sub>30</sub>H<sub>46</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td>Saponins (parent, host and microbial metabolites)</td><td>18β-glycyrrhetinic acid; Glycyrrhetic acid; Glycyrrhetic acid (alpha-); Glycyrrhetin</td><td class="structure"><img data-src="/structures/PHUB000170/image.svg" src="" /></td><td>MPDGHEJMBKOTSU-WFJWTYAKSA-N</td><td></td><td>(2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid</td><td>470.694</td><td>1.72e-03 g/l</td><td>5.45</td><td>-5.44</td><td>InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19?,21?,22-,23?,26+,27-,28-,29+,30+/m0/s1</td><td>CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O</td><td>-0.8351069321304386</td><td>4.44433188134718</td><td><a href="/food_sources/92">Liquorice</a></td><td><a href="/entries/PHUB000170">Glycyrrhetinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000170">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="171"><td></td><td><a href="/entries/PHUB000171">Glycyrrhizin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000171</td><td>171</td><td>822.403785916</td><td>C<sub>42</sub>H<sub>62</sub>O<sub>16</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td>Saponins (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000171/image.svg" src="" /></td><td>LPLVUJXQOOQHMX-QWBHMCJMSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid</td><td>822.942</td><td>5.45e-02 g/l</td><td>2.78</td><td>-4.18</td><td>InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1</td><td>[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O</td><td>-3.7319808463593795</td><td>2.961005004154196</td><td><a href="/food_sources/92">Liquorice</a></td><td><a href="/entries/PHUB000170">Glycyrrhetinic acid</a> / <a href="/entries/PHUB000948">Glycyrrhetinic acid 3-O-glucuronide</a> / <a href="/entries/PHUB000949">Glycyrrhetinic acid 30-O-glucuronide</a> / <a href="/entries/PHUB000950">Glycyrrhetinic acid 3-O-sulfate</a> / <a href="/entries/PHUB000951">Glycyrrhetinic acid 3-O-sulfate-30-glucuronide</a> / <a href="/entries/PHUB002093">3 β-monoglucuronyl-18-β-glycyrrhetinic acid</a> / <a href="/entries/PHUB000171">Glycyrrhizin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000171">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="172"><td></td><td><a href="/entries/PHUB000172">Limonin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000172</td><td>172</td><td>470.194067926</td><td>C<sub>26</sub>H<sub>30</sub>O<sub>8</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Limonoids</td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td>Limonoids (parent, host and microbial metabolites)</td><td>Citrolimonin; Dictamnolactone; Evodin; Obaculactone</td><td class="structure"><img data-src="/structures/PHUB000172/image.svg" src="" /></td><td>KBDSLGBFQAGHBE-MSGMIQHVSA-N</td><td></td><td>(1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0^{2,7}.0^{2,10}.0^{14,16}.0^{14,20}]docosane-5,12,17-trione</td><td>470.518</td><td>7.99e-02 g/l</td><td>3.47</td><td>-3.77</td><td>InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1</td><td>CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1</td><td>-2.8525572165882376</td><td>19.475883044026496</td><td><a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/138">Sour orange</a> / <a href="/food_sources/149">Sweet orange</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000172">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="174"><td></td><td><a href="/entries/PHUB000174">lupeol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000174</td><td>174</td><td>426.38616623</td><td>C<sub>30</sub>H<sub>50</sub>O</td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000174/image.svg" src="" /></td><td>MQYXUWHLBZFQQO-KIIHVYTKSA-N</td><td></td><td>(1R,3aR,5aR,5bR,9S,11aR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol</td><td>426.729</td><td>1.95e-04 g/l</td><td>5.97</td><td>-6.34</td><td>InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21?,22?,23?,24-,25?,27+,28-,29+,30+/m0/s1</td><td>CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12</td><td>-0.835121835136265</td><td>19.48943339017772</td><td><a href="/food_sources/110">Peanut</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000174">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="175"><td></td><td><a href="/entries/PHUB000175">Maslinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000175</td><td>175</td><td>472.355260026</td><td>C<sub>30</sub>H<sub>48</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td>Terpenoid metabolites</td><td>Miscellaneous terpenoid metabolites</td><td>Miscelleanous triterpenoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB000175/image.svg" src="" /></td><td>MDZKJHQSJHYOHJ-LLICELPBSA-N</td><td></td><td>(4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid</td><td>472.71</td><td>4.04e-03 g/l</td><td>6.06</td><td>-5.07</td><td>InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1</td><td>[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O</td><td>-3.1598164618201197</td><td>4.744259192011683</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/102">Olive oil</a></td><td><a href="/entries/PHUB000175">Maslinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000175">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="176"><td></td><td><a href="/entries/PHUB000176">maslinic acid (3-O-p-Coumaroyl-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000176</td><td>176</td><td>618.392039459</td><td>C<sub>39</sub>H<sub>54</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000176/image.svg" src="" /></td><td>KWLOAKAXMOYBRK-GDNBJRDFSA-N</td><td></td><td>11-hydroxy-10-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid</td><td>618.855</td><td>5.24e-04 g/l</td><td>7.15</td><td>-6.07</td><td>InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10-</td><td>CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)\C=C/C6=CC=C(O)C=C6)C(C)(C)C5CCC34C)C2C1)C(O)=O</td><td>-3.1748220896893993</td><td>4.744249566514599</td><td><a href="/food_sources/82">Jujube</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000176">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="178"><td></td><td><a href="/entries/PHUB000178">Medicagenic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000178</td><td>178</td><td>502.329439201</td><td>C<sub>30</sub>H<sub>46</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000178/image.svg" src="" /></td><td>IDGXIXSKISLYAC-WNTKNEGGSA-N</td><td></td><td>(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid</td><td>502.692</td><td>6.10e-03 g/l</td><td>4.15</td><td>-4.92</td><td>InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1</td><td>CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O</td><td>-3.1694008449601303</td><td>4.282658569011439</td><td><a href="/food_sources/2">Alfalfa</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000178">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="179"><td></td><td><a href="/entries/PHUB000179">Nomilin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000179</td><td>179</td><td>514.220282675</td><td>C<sub>28</sub>H<sub>34</sub>O<sub>9</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Limonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000179/image.svg" src="" /></td><td>KPDOJFFZKAUIOE-WNGDLQANSA-N</td><td></td><td>(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0^{2,4}.0^{2,8}.0^{12,18}]icosan-13-yl acetate</td><td>514.571</td><td>4.49e-02 g/l</td><td>3.59</td><td>-4.06</td><td>InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1</td><td>CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]12C</td><td>-2.872740283871594</td><td>19.594972602551888</td><td><a href="/food_sources/138">Sour orange</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000179">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="180"><td></td><td><a href="/entries/PHUB000180">Obacunone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000180</td><td>180</td><td>454.199153306</td><td>C<sub>26</sub>H<sub>30</sub>O<sub>7</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Limonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Casimirolide</td><td class="structure"><img data-src="/structures/PHUB000180/image.svg" src="" /></td><td>MAYJEFRPIKEYBL-OASIGRBWSA-N</td><td></td><td>(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0^{2,4}.0^{2,8}.0^{12,18}]icos-13-ene-5,15,20-trione</td><td>454.519</td><td>2.37e-02 g/l</td><td>3.76</td><td>-4.28</td><td>InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8
8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1</td><td>C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2C1=COC=C1</td><td>-2.8727490624590906</td><td>19.63172958869265</td><td><a href="/food_sources/138">Sour orange</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000180">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="181"><td></td><td><a href="/entries/PHUB000181">Oleanolic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000181</td><td>181</td><td>456.360345406</td><td>C<sub>30</sub>H<sub>48</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td>Miscelleanous triterpenoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB000181/image.svg" src="" /></td><td>MIJYXULNPSFWEK-GTOFXWBISA-N</td><td></td><td>(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid</td><td>456.711</td><td>8.17e-04 g/l</td><td>7.09</td><td>-5.75</td><td>InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1</td><td>[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O</td><td>-0.835123022210091</td><td>4.744260336518661</td><td><a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/82">Jujube</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/378">White sage (Salvia apiana)</a></td><td><a href="/entries/PHUB000945">Oleanolic acid (Hydroxyl-)</a> / <a href="/entries/PHUB000946">Oleanolic acid (Dihydroxyl-)</a> / <a href="/entries/PHUB000181">Oleanolic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000181">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="182"><td></td><td><a href="/entries/PHUB000182">Oleanolic acid 3-O-glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000182</td><td>182</td><td>632.392433383</td><td>C<sub>36</sub>H<sub>56</sub>O<sub>9</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000182/image.svg" src="" /></td><td>IUCHKMAZAWJNBJ-RCYXVVTDSA-N</td><td></td><td>(2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>632.835</td><td>6.84e-03 g/l</td><td>4.66</td><td>-4.97</td><td>InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1</td><td>[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O</td><td>-3.686499495698754</td><td>3.5644236469576653</td><td><a href="/food_sources/41">Common beetroot</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000182">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="183"><td></td><td><a href="/entries/PHUB000183">Oleanonic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000183</td><td>183</td><td>454.344695341</td><td>C<sub>30</sub>H<sub>46</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000183/image.svg" src="" /></td><td>FMIMFCRXYXVFTA-FUAOEXFOSA-N</td><td></td><td>(4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid</td><td>454.695</td><td>5.32e-04 g/l</td><td>7.15</td><td>-5.93</td><td>InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1</td><td>CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O</td><td>-7.470885013133295</td><td>4.744259192580447</td><td><a href="/food_sources/82">Jujube</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000183">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="184"><td></td><td><a href="/entries/PHUB000184">Phaseoloside D</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000184</td><td>184</td><td>1380.656156569</td><td>C<sub>65</sub>H<sub>104</sub>O<sub>31</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000184/image.svg" src="" /></td><td>CVMFAOXHGIFMQV-BVXNWBLKSA-N</td><td></td><td>(2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxyoxane-2-carboxylic acid</td><td>1381.516</td><td>1.88e+00 g/l</td><td>0.39</td><td>-2.87</td><td>InChI=1S/C65H104O31/c1-25-35(70)39(74)43(78)54(87-25)86-23-31-38(73)41(76)52(96-55-44(79)40(75)37(72)29(20-66)88-55)59(90-31)92-48-30(21-67)89-56(45(80)42(48)77)95-51-36(71)28(69)22-85-58(51)93-49-46(81)50(53(83)84)94-57(47(49)82)91-34-12-13-62(5)32(63(34,6)24-68)11-14-65(8)33(62)10-9-26-27-19-60(2,3)15-16-61(27,4)17-18-64(26,65)7/h9,17-18,25,27-52,54-59,66-82H,10-16,19-24H2,1-8H3,(H,83,84)/t25-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46-,47+,48-,49-,50-,51+,52+,54+,55-,56-,57+,58-,59-,61+,62-,63+,64+,65+/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4O[C@@H]4[C@@H](O)[C@H](O[C@H]5CC[C@@]6(C)[C@@H](CC[C@]7(C)[C@@H]6CC=C6[C@@H]8CC(C)(C)CC[C@]8(C)C=C[C@@]76C)[C@@]5(C)CO)O[C@@H]([C@H]4O)C(O)=O)O[C@@H]3CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6855192304481084</td><td>3.3483467634822572</td><td><a href="/food_sources/40">Common bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000184">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="185"><td></td><td><a href="/entries/PHUB000185">Soyasapogenol B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000185</td><td>185</td><td>1268.603727071</td><td>C<sub>59</sub>H<sub>96</sub>O<sub>29</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000185/image.svg" src="" /></td><td>XFXHYKZIZSNVSQ-TZRAUYBZSA-N</td><td></td><td>(2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-{[(2S,3R,4S,5S)-3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid</td><td>1269.388</td><td>4.19e+00 g/l</td><td>-0.66</td><td>-2.48</td><td>InChI=1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)/t23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47+,49-,50-,51-,52-,53+,55+,56-,57+,58+,59+/m0/s1</td><td>[H][C@@]1(O[C@@H]2[C@H](O)C(C)(C)C[C@@]3([H])C4=CC[C@]5([H])[C@@]6(C)CC[C@H](O[C@]7([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(O)=O)[C@](C)(CO)[C@]6([H])CC[C@@]5(C)[C@]4(C)CC[C@@]23C)OC[C@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O</td><td>-3.6855133211578024</td><td>3.317895771888535</td><td><a href="/food_sources/139">Soy bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000185">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="186"><td></td><td><a href="/entries/PHUB000186">Soyasaponin A1</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000186</td><td>186</td><td>1268.603727071</td><td>C<sub>59</sub>H<sub>96</sub>O<sub>29</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000186/image.svg" src="" /></td><td>XFXHYKZIZSNVSQ-TZRAUYBZSA-N</td><td></td><td>(2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-{[(2S,3R,4S,5S)-3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid</td><td>1269.388</td><td>4.19e+00 g/l</td><td>-0.66</td><td>-2.48</td><td>InChI=1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)/t23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47+,49-,50-,51-,52-,53+,55+,56-,57+,58+,59+/m0/s1</td><td>[H][C@@]1(O[C@@H]2[C@H](O)C(C)(C)C[C@@]3([H])C4=CC[C@]5([H])[C@@]6(C)CC[C@H](O[C@]7([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(O)=O)[C@](C)(CO)[C@]6([H])CC[C@@]5(C)[C@]4(C)CC[C@@]23C)OC[C@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H
8]1O</td><td>-3.6855133211578024</td><td>3.317895771888535</td><td><a href="/food_sources/139">Soy bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000186">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="187"><td></td><td><a href="/entries/PHUB000187">Soyasaponin I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000187</td><td>187</td><td>942.518815672</td><td>C<sub>48</sub>H<sub>78</sub>O<sub>18</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000187/image.svg" src="" /></td><td>PTDAHAWQAGSZDD-IOVCITQVSA-N</td><td></td><td>(2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid</td><td>943.134</td><td>2.25e-01 g/l</td><td>2.17</td><td>-3.62</td><td>InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1</td><td>[H][C@@]1(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@]2([H])O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@]2([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@@]43C)[C@@]2(C)CO)C(O)=O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</td><td>-3.6486744308927874</td><td>3.317895772495015</td><td><a href="/food_sources/33">Chickpea</a> / <a href="/food_sources/40">Common bean</a> / <a href="/food_sources/88">Lentils</a> / <a href="/food_sources/139">Soy bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000187">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="188"><td></td><td><a href="/entries/PHUB000188">Spinasaponin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000188</td><td>188</td><td>794.445256805</td><td>C<sub>42</sub>H<sub>66</sub>O<sub>14</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000188/image.svg" src="" /></td><td>BQPYEFAVIPEQIK-CGCSGISQSA-N</td><td></td><td>(2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid</td><td>794.976</td><td>5.82e-02 g/l</td><td>3.24</td><td>-4.14</td><td>InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1</td><td>CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O</td><td>-3.648377575284355</td><td>3.4188561271238287</td><td><a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000188">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="189"><td></td><td><a href="/entries/PHUB000189">Theasaponin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000189</td><td>189</td><td>1232.582597702</td><td>C<sub>59</sub>H<sub>92</sub>O<sub>27</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000189/image.svg" src="" /></td><td>BWPGKXYWPBQBPV-MWQJAWBESA-N</td><td></td><td>(2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid</td><td>1233.358</td><td>1.49e+00 g/l</td><td>0.77</td><td>-2.92</td><td>InChI=1S/C59H92O27/c1-10-24(2)49(76)86-46-47(79-25(3)63)59(23-62)27(17-54(46,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)66)81-53-45(85-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50)42(41(73)43(83-53)48(74)75)82-51-40(72)38(70)37(69)30(19-60)80-51/h10-11,27-47,50-53,60-62,64-73H,12-23H2,1-9H3,(H,74,75)/b24-10-/t27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+,46-,47-,50-,51-,52-,53+,55-,56-,57+,58+,59-/m0/s1</td><td>[H][C@@]12CC(C)(C)[C@@H](OC(=O)C(\C)=C/C)[C@H](OC(C)=O)[C@]1(CO)[C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C</td><td>-3.672687979278853</td><td>3.301992370076992</td><td><a href="/food_sources/151">Tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000189">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="190"><td></td><td><a href="/entries/PHUB000190">Ursolic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000190</td><td>190</td><td>456.360345406</td><td>C<sub>30</sub>H<sub>48</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Ursanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Malol; Malolic acid; Micromerol; Prunol; Urson</td><td class="structure"><img data-src="/structures/PHUB000190/image.svg" src="" /></td><td>WCGUUGGRBIKTOS-GPOJBZKASA-N</td><td></td><td>(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid</td><td>456.711</td><td>5.90e-04 g/l</td><td>6.35</td><td>-5.89</td><td>InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1</td><td>[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O</td><td>-0.8351230225624989</td><td>4.744126566233528</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/15">Bilberry</a> / <a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/47">Common persimmon</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/80">Guava</a> / <a href="/food_sources/97">Mustard</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/112">Pear</a> / <a href="/food_sources/134">Rosemary</a> / <a href="/food_sources/141">Star fruit</a> / <a href="/food_sources/145">Sweet basil</a> / <a href="/food_sources/147">Sweet cherry</a> / <a href="/food_sources/378">White sage (Salvia apiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000190">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="191"><td></td><td><a href="/entries/PHUB000191">Ursolic acid (2-alpha-hydroxy-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000191</td><td>191</td><td>472.355260026</td><td>C<sub>30</sub>H<sub>48</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Ursanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Corosolic acid; Glucosol</td><td class="structure"><img data-src="/structures/PHUB000191/image.svg" src="" /></td><td>HFGSQOYIOKBQOW-ZSDYHTTISA-N</td><td></td><td>(1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid</td><td>472.71</td><td>4.57e-03 g/l</td><td>5.49</td><td>-5.01</td><td>InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1</td><td>C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O</td><td>-3.1598164618201268</td><td>4.744125421374318</td><td><a href="/food_sources/7">Apple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000191">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="192"><td></td><td><a href="/entries/PHUB000192">Ursolic acid (cis-3-O-hydroxycinnamoyl-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000192</td><td>192</td><td>602.397124839</td><td>C<sub>39</sub>H<sub>54</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Ursanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000192/image.svg" src="" /></td><td>ZOXDAGKKDOEJBW-HNPRZPGGSA-N</td><td></td><td>(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid</td><td>602.856</td><td>1.47e-04 g/l</td><td>7.92</td><td>-6.61</td><td>InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)/b15-10-/t24-,25+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1</td><td>C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C/C6=CC=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O</td><td>-5.954731874958879</td><td>4.744115799385438</td><td><a href="/food_sources/5">American cranberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000192">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="193"><td></td><td><a href="/entries/PHUB000193">Ursolic acid (trans-3-O-hydroxycinnamoyl-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000193</td><td>193</td><td>602.397124839</td><td>C<sub>39</sub>H<sub>54</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Ursanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000193/image.svg" src="" /></td><td>ZOXDAGKKDOEJBW-YVZDRRNJSA-N</td><td></td><td>(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid</td><td>602.856</td><td>1.47e-04 g/l</td><td>7.92</td><td>-6.61</td><td>InChI=1S/C39H54O5/c1-24-16-21-39(34(42)43)23-22-37(6)28(33(39)25(24)2)13-14-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)44-32(41)15-10-26-8-11-27(40)12-9-26/h8-13,15,24-25,29-31,33,40H,14,16-23H2,1-7H3,(H,42,43)/b15-10+/t24-,25+,29+,30-,31+,33+,36+,37-,38-,39+/m1/s1</td><td>C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O</td><td>-5.954731874958879</td><td>4.744115799385438</td><td><a href="/food_sources/5">American cranberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000193">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="194"><td></td><td><a href="/entries/PHUB000194">Uvaol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000194</td><td>194</td><td>442.38108085</td><td>C<sub>30</sub>H<sub>50</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000194/image.svg" src="" /></td><td>XUARCIYIVXVTAE-CXNZXGKSSA-N</td><td></td><td>(3S,6aR,6bS,8aS,11R,12S,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol</td><td>442.728</td><td>2.72e-04 g/l</td><td>6.13</td><td>-6.21</td><td>InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22?,23?,24+,25?,27+,28-,29-,30-/m1/s1</td><td>C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C</td><td>-0.6357052290198816</td><td>18.953297110466607</td><td><a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/378">White sage (Salvia apiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000194">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="195"><td></td><td><a href="/entries/PHUB000195">Yamogenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000195</td><td>195</td><td>414.313395212</td><td>C<sub>27</sub>H<sub>42</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000195/image.svg" src="" /></td><td>WQLVFSAGQJTQCK-CAKNJAFZSA-N</td><td></td><td>(1'S,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-16'-ol</td><td>414.63</td><td>5.52e-04 g/l</td><td>4.15</td><td>-5.88</td><td>InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1</td><td>
8C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1</td><td>-1.3962771891939112</td><td>18.204289505503816</td><td><a href="/food_sources/9">Asparagus</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000195">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="196"><td></td><td><a href="/entries/PHUB000196">Zizyberenalic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000196</td><td>196</td><td>452.329045277</td><td>C<sub>30</sub>H<sub>44</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000196/image.svg" src="" /></td><td>GUPQNHIGLNUBOG-HYYJCJJOSA-N</td><td></td><td>(1R,2R,5S,8R,14S,18S)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icos-15-ene-5-carboxylic acid</td><td>452.679</td><td>2.56e-04 g/l</td><td>6.21</td><td>-6.25</td><td>InChI=1S/C30H44O3/c1-18(2)20-10-13-30(25(32)33)15-14-27(5)21(24(20)30)8-9-23-28(27,6)12-11-22-26(3,4)16-19(17-31)29(22,23)7/h16-17,20-24H,1,8-15H2,2-7H3,(H,32,33)/t20-,21?,22-,23?,24?,27+,28+,29-,30-/m0/s1</td><td>CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)C=C5C=O)C12)C(O)=O</td><td>-4.758072629298545</td><td>4.69638139322645</td><td><a href="/food_sources/82">Jujube</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000196">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="197"><td></td><td><a href="/entries/PHUB000197">Phytol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000197</td><td>197</td><td>296.307915908</td><td>C<sub>20</sub>H<sub>40</sub>O</td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000197/image.svg" src="" /></td><td>BOTWFXYSPFMFNR-PYDDKJGSSA-N</td><td></td><td>(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol</td><td>296.539</td><td>1.10e-04 g/l</td><td>7.89</td><td>-6.43</td><td>InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1</td><td>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CO</td><td>-2.217044680584718</td><td>16.330030451338093</td><td><a href="/food_sources/9">Asparagus</a> / <a href="/food_sources/18">Broad bean</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/127">Rapeseed oil</a> / <a href="/food_sources/151">Tea</a></td><td><a href="/entries/PHUB000920">Phytanic acid</a> / <a href="/entries/PHUB000921">Phytenic acid (trans-delta 2-)</a> / <a href="/entries/PHUB000922">Phytenic acid (cis-delta 2-)</a> / <a href="/entries/PHUB000923">Phytenic acid (trans-delta 3-)</a> / <a href="/entries/PHUB000924">Phytenic acid (cis-delta 3-)</a> / <a href="/entries/PHUB000925">Phytenic acid (3-methylene)</a> / <a href="/entries/PHUB000926">Hydroxyphytanic acid (alpha-)</a> / <a href="/entries/PHUB000927">Pristanic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000197">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="198"><td></td><td><a href="/entries/PHUB000198">16-H1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000198</td><td>198</td><td>326.209324066</td><td>C<sub>18</sub>H<sub>30</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000198/image.svg" src="" /></td><td>TZQUATAURWLGJI-ZHACJKMWSA-N</td><td></td><td>8-{6-[(1E)-3-hydroxypent-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}octanoic acid</td><td>326.433</td><td>7.39e-02 g/l</td><td>3.41</td><td>-3.65</td><td>InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16-12-17(15)23-22-16)8-6-4-3-5-7-9-18(20)21/h10-11,13-17,19H,2-9,12H2,1H3,(H,20,21)/b11-10+</td><td>CCC(O)\C=C\C1C2CC(OO2)C1CCCCCCCC(O)=O</td><td>-1.741533217492416</td><td>4.721786848546526</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000198">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="199"><td></td><td><a href="/entries/PHUB000199">16-D1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000199</td><td>199</td><td>326.209324066</td><td>C<sub>18</sub>H<sub>30</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000199/image.svg" src="" /></td><td>MUKVIZSNYWHGCM-ZHACJKMWSA-N</td><td></td><td>8-{5-hydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]-3-oxocyclopentyl}octanoic acid</td><td>326.433</td><td>3.64e-01 g/l</td><td>2.34</td><td>-2.95</td><td>InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+</td><td>CCC(O)\C=C\C1C(CCCCCCCC(O)=O)C(O)CC1=O</td><td>-1.710500280875582</td><td>4.721786859569521</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000199">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="200"><td></td><td><a href="/entries/PHUB000200">16-E1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000200</td><td>200</td><td>326.209324066</td><td>C<sub>18</sub>H<sub>30</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000200/image.svg" src="" /></td><td>PLXNUXTXNUIUNK-ZHACJKMWSA-N</td><td></td><td>8-{3-hydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]-5-oxocyclopentyl}octanoic acid</td><td>326.433</td><td>3.92e-01 g/l</td><td>2.33</td><td>-2.92</td><td>InChI=1S/C18H30O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+</td><td>CCC(O)\C=C\C1C(O)CC(=O)C1CCCCCCCC(O)=O</td><td>-1.7418905214213758</td><td>4.784583694934138</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000200">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="201"><td></td><td><a href="/entries/PHUB000201">16-F1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000201</td><td>201</td><td>328.22497413</td><td>C<sub>18</sub>H<sub>32</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000201/image.svg" src="" /></td><td>RQXBHXSBLSHCPO-ZHACJKMWSA-N</td><td></td><td>8-{3,5-dihydroxy-2-[(1E)-3-hydroxypent-1-en-1-yl]cyclopentyl}octanoic acid</td><td>328.449</td><td>3.46e-01 g/l</td><td>3.12</td><td>-2.98</td><td>InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+</td><td>CCC(O)\C=C\C1C(O)CC(O)C1CCCCCCCC(O)=O</td><td>-1.741888504869572</td><td>4.721786848355061</td><td><a href="/food_sources/14">Beer</a> / <a href="/food_sources/325">linseed oil</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/127">Rapeseed oil</a> / <a href="/food_sources/326">soybean oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000201">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="202"><td></td><td><a href="/entries/PHUB000202">16-J1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000202</td><td>202</td><td>308.198759382</td><td>C<sub>18</sub>H<sub>28</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000202/image.svg" src="" /></td><td>FWGSZKXOWWJSMJ-VAWYXSNFSA-N</td><td></td><td>8-{5-[(1E)-3-hydroxypent-1-en-1-yl]-4-oxocyclopent-2-en-1-yl}octanoic acid</td><td>308.418</td><td>4.71e-02 g/l</td><td>3.52</td><td>-3.82</td><td>InChI=1S/C18H28O4/c1-2-15(19)11-12-16-14(10-13-17(16)20)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+</td><td>CCC(O)\C=C\C1C(CCCCCCCC(O)=O)C=CC1=O</td><td>-1.710306155769828</td><td>4.78458370473422</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000202">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="203"><td></td><td><a href="/entries/PHUB000203">16-A1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000203</td><td>203</td><td>308.198759382</td><td>C<sub>18</sub>H<sub>28</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000203/image.svg" src="" /></td><td>OXXJZDJLYSMGIQ-ZRDIBKRKSA-N</td><td></td><td>8-{2-[(1E)-3-hydroxypent-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}octanoic acid</td><td>308.418</td><td>5.39e-02 g/l</td><td>3.47</td><td>-3.76</td><td>InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+</td><td>CCC(O)\C=C\C1C=CC(=O)C1CCCCCCCC(O)=O</td><td>-1.710293909086898</td><td>4.784583704739449</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000203">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="204"><td></td><td><a href="/entries/PHUB000204">16-B1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000204</td><td>204</td><td>308.198759382</td><td>C<sub>18</sub>H<sub>28</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>16-L1-phytoprostane</td><td class="structure"><img data-src="/structures/PHUB000204/image.svg" src="" /></td><td>WJSAFQZKYVRPGM-ZRDIBKRKSA-N</td><td></td><td>8-{2-[(1E)-3-hydroxypent-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}octanoic acid</td><td>308.418</td><td>2.71e-02 g/l</td><td>3.17</td><td>-4.06</td><td>InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+</td><td>CCC(O)\C=C\C1=C(CCCCCCCC(O)=O)C(=O)CC1</td><td>-1.6949143183842719</td><td>4.817523872625719</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/324">Macroalgae</a> / <a href="/food_sources/244">Melon</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/293">Red wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000204">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="205"><td></td><td><a href="/entries/PHUB000205">16-dJ1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000205</td><td>205</td><td>290.188194697</td><td>C<sub>18</sub>H<sub>26</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000205/image.svg" src="" /></td><td>PDNGUFGDDNNXDJ-PMXBIMRSSA-N</td><td></td><td>8-[(5Z)-4-oxo-5-[(2Z)-pent-2-en-1-ylidene]cyclopent-2-en-1-yl]octanoic acid</td><td>290.403</td><td>1.25e-02 g/l</td><td>5.00</td><td>-4.36</td><td>InChI=1S/C18H26O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,11,13-15H,2,4-6,8-10,12H2,1H3,(H,20,21)/b7-3-,16-11-</td><td>CC\C=C/C=C1/C(CCCCCCCC(O)=O)C=CC1=O</td><td>-4.944597230224242</td><td>4.847787435177212</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000205">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="206"><td></td><td><a href="/entries/PHUB000206">9-H1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000206</td><td>206</td><td>326.209324066</td><td>C<sub>18</sub>H<sub>30</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000206/image.svg" src="" /></td><td>UDHHBMXSVGWEAZ-ZHACJKMWSA-N</td><td></td><td>(10E)-11-{6-ethyl-2,3-dioxabicyclo[2.2.1]heptan-5-yl}-9-hydroxyundec-10-enoic acid</td><td>326.433</td><td>8.20e-02 g/l</td><td>3.40</td><td>-3.60</td><td>InChI=1S/C18H30O5/c1-2-14-15(17-12-16(14)22-23-17)11-10-13(19)8-6-4-3-5-7-9-18(20)21/h10-11,13-17,19H,2-9,12H2,1H3,(H,20,21)/b11-10+</td><td>CCC1C2CC(OO2)C1\C=C\C(O)CCCCCCCC(O)=O</td><td>-1.6260429158877128</td><td>4.676745491166058</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000206">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="207"><td></td><td><a href="/entries/PHUB000207">9-D1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000207</td><td>207</td><td>326.209324066</td><td>C<sub>18</sub>H<sub>30</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000207/image.svg" src="" /></td><td>HPKXZPJOBRJOHF-ZHACJKMWSA-N</td><td></td><td>(10E)-11-(2-ethyl-3-hydroxy-5-oxocyclopentyl)-9-hydroxyundec-10-enoic acid</td><td>326.433</td><td>3.53e-01 g/l</td><td>2.36</td><td>-2.97</td><td>InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+</td><td>CCC1C(O)CC(=O)C1\C=C\C(O)CCCCCCCC(O)=O</td><td>-1.59739780616558</td><td>4.67674551217404</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/293">Red wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000207">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="208"><td></td><td><a href="/entries/PHUB000208">9-E1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000208</td><td>208</td><td>326.209324066</td><td>C<sub>18</sub>H<sub>30</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000208/image.svg" src="" /></td><td>GEVZHBGQVSRMPD-ZHACJKMWSA-N</td><td></td><td>(10E)-11-(2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid</td><td>326.433</td><td>3.67e-01 g/l</td><td>2.36</td><td>-2.95</td><td>InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+</td><td>CCC1C(\C=C\C(O)CCCCCCCC(O)=O)C(O)CC1=O</td><td>-1.6263173862360034</td><td>4.676745490986673</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000208">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="209"><td></td><td><a href="/entries/PHUB000209">9-F1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000209</td><td>209</td><td>328.22497413</td><td>C<sub>18</sub>H<sub>32</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000209/image.svg" src="" /></td><td>GKBLNJXQDMHILB-ZHACJKMWSA-N</td><td></td><td>(10E)-11-(2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid</td><td>328.449</td><td>3.37e-01 g/l</td><td>3.14</td><td>-2.99</td><td>InChI=1S/C18H32O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+</td><td>CCC1C(O)CC(O)C1\C=C\C(O)CCCCCCCC(O)=O</td><td>-1.6263151607895845</td><td>4.676745490968174</td><td><a href="/food_sources/3">Algae</a> / <a href="/food_sources/4">Almond</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/325">linseed oil</a> / <a href="/food_sources/324">Macroalgae</a> / <a href="/food_sources/244">Melon</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/127">Rapeseed oil</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/326">soybean oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000209">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="210"><td></td><td><a href="/entries/PHUB000210">9-J1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000210</td><td>210</td><td>308.198759382</td><td>C<sub>18</sub>H<sub>28</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000210/image.svg" src="" /></td><td>GSIHBOIIJFLKIL-VAWYXSNFSA-N</td><td></td><td>(10E)-11-(2-ethyl-5-oxocyclopent-3-en-1-yl)-9-hydroxyundec-10-enoic acid</td><td>308.418</td><td>5.51e-02 g/l</td><td>3.46</td><td>-3.75</td><td>InChI=1S/C18H28O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+</td><td>CCC1C=CC(=O)C1\C=C\C(O)CCCCCCCC(O)=O</td><td>-1.597248762182736</td><td>4.676745512292499</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000210">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="211"><td></td><td><a href="/entries/PHUB000211">9-A1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000211</td><td>211</td><td>308.198759382</td><td>C<sub>18</sub>H<sub>28</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000211/image.svg" src="" /></td><td>MYTDGCAXWORFIK-ZRDIBKRKSA-N</td><td></td><td>(10E)-11-(5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid</td><td>308.418</td><td>5.42e-02 g/l</td><td>3.46</td><td>-3.76</td><td>InChI=1S/C18H28O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-10+</td><td>CCC1C(\C=C\C(O)CCCCCCCC(O)=O)C=CC1=O</td><td>-1.5972322507877652</td><td>4.6767455123098305</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000211">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="212"><td></td><td><a href="/entries/PHUB000212">9-B1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000212</td><td>212</td><td>308.198759382</td><td>C<sub>18</sub>H<sub>28</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>9-L1-phytoprostane</td><td class="structure"><img data-src="/structures/PHUB000212/image.svg" src="" /></td><td>KXMANOZDITZERP-ZRDIBKRKSA-N</td><td></td><td>(10E)-11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9-hydroxyundec-10-enoic acid</td><td>308.418</td><td>2.93e-02 g/l</td><td>3.18</td><td>-4.02</td><td>InChI=1S/C18H28O4/c1-2-16-14(11-13-17(16)20)10-12-15(19)8-6-4-3-5-7-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+</td><td>CCC1=C(CCC1=O)\C=C\C(O)CCCCCCCC(O)=O</td><td>-1.5872747085735497</td><td>4.676745519899577</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000212">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="213"><td></td><td><a href="/entries/PHUB000213">9-dJ1-phytoprostane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000213</td><td>213</td><td>290.188194697</td><td>C<sub>18</sub>H<sub>26</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Phytoprostanes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000213/image.svg" src="" /></td><td>WRLHJNCNGIFTDZ-PUNCNYEPSA-N</td><td></td><td>(9Z)-11-[(1Z)-2-ethyl-5-oxocyclopent-3-en-1-ylidene]undec-9-enoic acid</td><td>290.403</td><td>9.71e-03 g/l</td><td>5.03</td><td>-4.48</td><td>InChI=1S/C18H26O3/c1-2-15-13-14-17(19)16(15)11-9-7-5-3-4-6-8-10-12-18(20)21/h7,9,11,13-15H,2-6,8,10,12H2,1H3,(H,20,21)/b9-7-,16-11-</td><td>CCC1C=CC(=O)\C1=C/C=C\CCCCCCCC(O)=O</td><td>-4.941360652672635</td><td>4.988167283954664</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000213">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="214"><td></td><td><a href="/entries/PHUB000214">6''-O-Acetyldaidzin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000214</td><td>214</td><td>458.121296908</td><td>C<sub>23</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6''-O-acetyl-7,4'-dihydroxyisoflavone 7-O-glucoside; 6''-O-Acetyldaidzein 7-O-glucoside; Acetyldaidzin</td><td class="structure"><img data-src="/structures/PHUB000214/image.svg" src="" /></td><td>ZMOZJTDOTOZVRT-UHFFFAOYSA-N</td><td></td><td>(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate</td><td>458.419</td><td>3.50e-01 g/l</td><td>1.43</td><td>-3.12</td><td>InChI=1S/C23H22O10/c1-11(24)30-10-18-20(27)21(28)22(29)23(33-18)32-14-6-7-15-17(8-14)31-9-16(19(15)26)12-2-4-13(25)5-3-12/h2-9,18,20-23,25,27-29H,10H2,1H3</td><td>CC(=O)OCC1OC(OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C(O)C(O)C1O</td><td>-3.6491028148858082</td><td>8.962958691399564</td><td><a href="/food_sources/139">Soy bean</a></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000214">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="215"><td></td><td><a href="/entries/PHUB000215">6''-O-Acetylgenistin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000215</td><td>215</td><td>474.116211528</td><td>C<sub>23</sub>H<sub>22</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6''-O-Acetyl-5,7,4'-trihydroxyisoflavone 7-O-glucoside; 6''-O-Acetylgenistein 7-O-glucoside; Acetylgenistin</td><td class="structure"><img data-src="/structures/PHUB000215/image.svg" src="" /></td><td>DXWGBJJLEDQBKS-UHFFFAOYSA-N</td><td></td><td>(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate</td><td>474.418</td><td>4.79e-01 g/l</td><td>1.25</td><td>-3.00</td><td>InChI=1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-13-6-15(26)18-16(7-13)32-8-14(19(18)27)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3</td><td>CC(=O)OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(O)C(O)C1O</td><td>-3.6491028149510094</td><td>7.272996089201232</td><td><a href="/food_sources/139">Soy bean</a></td><td><a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000215">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="216"><td></td><td><a href="/entries/PHUB000216">6''-O-Acetylglycitin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000216</td><td>216</td><td>488.131861593</td><td>C<sub>24</sub>H<sub>24</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6''-O-acetyl-7,4'-dihydroxy-6-methoxyisoflavone 7-O-glucoside; 6''-O-Acetylglycitein 7-O-glucoside; Acetylglycitin</td><td class="structure"><img data-src="/structures/PHUB000216/image.svg" src="" /></td><td>DUBPGEJGGVZKDD-UHFFFAOYSA-N</td><td></td><td>(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate</td><td>488.445</td><td>3.32e-01 g/l</td><td>1.41</td><td>-3.17</td><td>InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3</td><td>COC1=C(OC2OC(COC(C)=O)C(O)C(O)C2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1</td><td>-3.6491028351369343</td><td>8.96255761984292</td><td><a href="/food_sources/139">Soy bean</a></td><td><a href="/entries/PHUB000227">Glycitein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000216">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="217"><td></td><td><a href="/entries/PHUB000217">6''-O-Malonyldaidzin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000217</td><td>217</td><td>502.111126148</td><td>C<sub>24</sub>H<sub>22</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6''-O-Malonyl-7,4'-dihydroxyisoflavone 7-O-glucoside; 6''-O-Malonyldaidzein 7-O-glucoside; Malonyldaidzin</td><td class="structure"><img data-src="/structures/PHUB000217/image.svg" src="" /></td><td>MTXMHWSVSZKYBT-UHFFFAOYSA-N</td><td></td><td>3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid</td><td>502.428</td><td>3.62e-01 g/l</td><td>0.80</td><td>-3.14</td><td>InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)</td><td>OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C1O</td><td>-3.6491030253773293</td><td>3.37960620279767</td><td><a href="/food_sources/139">Soy bean</a></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000217">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="218"><td></td><td><a href="/entries/PHUB000218">6''-O-Malonylgenistin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000218</td><td>218</td><td>518.106040768</td><td>C<sub>24</sub>H<sub>22</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6''-O-Malonyl-5,7,4'-trihydroxyisoflavone 7-O-glucoside; 6''-O-Malonylgenistein 7-O-glucoside; Malonylgenistin</td><td class="structure"><img data-src="/structures/PHUB000218/image.svg" src="" /></td><td>FRAUJUKWSKMNJY-UHFFFAOYSA-N</td><td></td><td>3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid</td><td>518.427</td><td>5.97e-01 g/l</td><td>1.34</td><td>-2.94</td><td>InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)</td><td>OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C1O</td><td>-3.6491030254425296</td><td>3.3721433679854553</td><td><a href="/food_sources/139">Soy bean</a></td><td><a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000218">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="219"><td></td><td><a href="/entries/PHUB000219">6''-O-Malonylglycitin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000219</td><td>219</td><td>532.121690833</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6''-O-Malonyl-7,4'-dihydroxy-6-methoxyisoflavone 7-O-glucoside; 6''-O-Malonylglycitein 7-O-glucoside; Malonylglycitin</td><td class="structure"><img data-src="/structures/PHUB000219/image.svg" src="" /></td><td>OWMHCYFEIJPHFB-UHFFFAOYSA-N</td><td></td><td>3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid</td><td>532.454</td><td>3.14e-01 g/l</td><td>0.84</td><td>-3.23</td><td>InChI=1S/C25H24O13/c1-34-16-6-13-15(35-9-14(21(13)30)11-2-4-12(26)5-3-11)7-17(16)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)</td><td>COC1=CC2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1OC1OC(COC(=O)CC(O)=O)C(O)C(O)C1O</td><td>-3.6491030456284546</td><td>3.3502286628137243</td><td><a href="/food_sources/139">Soy bean</a></td><td><a href="/entries/PHUB000227">Glycitein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000219">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="220"><td></td><td><a href="/entries/PHUB000220">Biochanin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000220</td><td>220</td><td>284.068473486</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4'-Methylgenistein; 5,7-Dihydroxy-4'-methoxyisoflavone; Pratensol</td><td class="structure"><img data-src="/structures/PHUB000220/image.svg" src="" /></td><td>WUADCCWRTIWANL-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one</td><td>284.267</td><td>5.83e-02 g/l</td><td>3.44</td><td>-3.69</td><td>InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3</td><td>COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O</td><td>-4.716057035165476</td><td>6.5479486099736</td><td><a href="/food_sources/33">Chickpea</a> / <a href="/food_sources/365">Red clover</a></td><td><a href="/entries/PHUB001361">2,3-Dihydrobiochanin A</a> / <a href="/entries/PHUB001359">Biochanin A-7-O-glucuronide</a> / <a href="/entries/PHUB001360">Biochanin A 7-O-sulfate</a> / <a href="/entries/PHUB000220">Biochanin A</a> / <a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000220">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="221"><td></td><td><a href="/entries/PHUB000221">Coumestrol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000221</td><td>221</td><td>268.037173358</td><td>C<sub>15</sub>H<sub>8</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7,12-Dihydroxycoumestan; Chrysanthin</td><td class="structure"><img data-src="/structures/PHUB000221/image.svg" src="" /></td><td>ZZIALNLLNHEQPJ-UHFFFAOYSA-N</td><td></td><td>5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one</td><td>268.224</td><td>2.81e-01 g/l</td><td>2.43</td><td>-2.98</td><td>InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,
816-17H</td><td>OC1=CC2=C(C=C1)C1=C(O2)C2=C(OC1=O)C=C(O)C=C2</td><td>-3.0531035874615458</td><td>7.110949661337142</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000221">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="222"><td></td><td><a href="/entries/PHUB000222">Daidzein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000222</td><td>222</td><td>254.057908802</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td>7,4'-Dihydroxyisoflavone; Daidzeol</td><td class="structure"><img data-src="/structures/PHUB000222/image.svg" src="" /></td><td>ZQSIJRDFPHDXIC-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>254.241</td><td>8.49e-02 g/l</td><td>3.30</td><td>-3.48</td><td>InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H</td><td>OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O</td><td>-5.336102454110623</td><td>6.476840159725478</td><td><a href="/food_sources/365">Red clover</a> / <a href="/food_sources/139">Soy bean</a> / <a href="/food_sources/268">Soy milk</a></td><td><a href="/entries/PHUB001353">Daidzein 7-O-glucuronide</a> / <a href="/entries/PHUB001354">Daidzein 4'-O-glucuronide</a> / <a href="/entries/PHUB001355">Daidzein 7-O-sulfate</a> / <a href="/entries/PHUB001356">Dihydrodaidzein</a> / <a href="/entries/PHUB001357">Dihydrodaidzein 7-O-glucuronide</a> / <a href="/entries/PHUB001774">Equol</a> / <a href="/entries/PHUB001369">6'-Hydroxy-O-desmethylangolensin</a> / <a href="/entries/PHUB002122">3'-Hydroxydaidzein</a> / <a href="/entries/PHUB002120">6-Hydroxydaidzein</a> / <a href="/entries/PHUB002121">8-Hydroxydaidzein</a> / <a href="/entries/PHUB000222">Daidzein</a> / <a href="/entries/PHUB002132">Daidzein 4'-O-sulfate</a> / <a href="/entries/PHUB002130">Daidzein-4',7-diglucuronide</a> / <a href="/entries/PHUB002131">Daidzein-7-glucuronide-4'-sulfate</a> / <a href="/entries/PHUB001777">O-Desmethylangolensin</a> / <a href="/entries/PHUB003025">Equol 7-O-glucuronide</a> / <a href="/entries/PHUB003026">Equol 4'-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000222">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="223"><td></td><td><a href="/entries/PHUB000223">Daidzin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000223</td><td>223</td><td>416.110732224</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7,4'-Dihydroxyisoflavone 7-O-glucoside; Daidzein 7-O-glucoside</td><td class="structure"><img data-src="/structures/PHUB000223/image.svg" src="" /></td><td>KYQZWONCHDNPDP-QNDFHXLGSA-N</td><td></td><td>3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>416.382</td><td>6.61e-01 g/l</td><td>0.71</td><td>-2.80</td><td>InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343722586</td><td>8.962957785279055</td><td></td><td><a href="/entries/PHUB001774">Equol</a> / <a href="/entries/PHUB000223">Daidzin</a> / <a href="/entries/PHUB002122">3'-Hydroxydaidzein</a> / <a href="/entries/PHUB002120">6-Hydroxydaidzein</a> / <a href="/entries/PHUB002121">8-Hydroxydaidzein</a> / <a href="/entries/PHUB000222">Daidzein</a> / <a href="/entries/PHUB003025">Equol 7-O-glucuronide</a> / <a href="/entries/PHUB003026">Equol 4'-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000223">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="224"><td></td><td><a href="/entries/PHUB000224">Formononetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000224</td><td>224</td><td>268.073558866</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4'-Methyldaidzein; 7-Hydroxy-4'-methoxyisoflavone; Biochanin B; Neochanin; Pratol</td><td class="structure"><img data-src="/structures/PHUB000224/image.svg" src="" /></td><td>HKQYGTCOTHHOMP-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one</td><td>268.268</td><td>4.02e-02 g/l</td><td>3.56</td><td>-3.82</td><td>InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3</td><td>COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O</td><td>-4.71378120136908</td><td>6.478252867302431</td><td><a href="/food_sources/33">Chickpea</a> / <a href="/food_sources/365">Red clover</a></td><td><a href="/entries/PHUB001362">Formononetin 7-O-glucuronide</a> / <a href="/entries/PHUB001363">Formononetin 7-O-sulfate</a> / <a href="/entries/PHUB001364">Dihydroformononetin</a> / <a href="/entries/PHUB001365">Calycosin</a> / <a href="/entries/PHUB000224">Formononetin</a> / <a href="/entries/PHUB001778">Angolensin</a> / <a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000224">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="225"><td></td><td><a href="/entries/PHUB000225">Genistein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000225</td><td>225</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td>5,7,4'-Trihydroxyisoflavone; Genisteol; Prunetol; Sophoricol</td><td class="structure"><img data-src="/structures/PHUB000225/image.svg" src="" /></td><td>TZBJGXHYKVUXJN-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>270.24</td><td>1.23e-01 g/l</td><td>3.04</td><td>-3.34</td><td>InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H</td><td>OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O</td><td>-5.345613136233476</td><td>6.5462698153602235</td><td><a href="/food_sources/33">Chickpea</a> / <a href="/food_sources/365">Red clover</a></td><td><a href="/entries/PHUB001367">Genistein 7-O-glucuronide</a> / <a href="/entries/PHUB001369">6'-Hydroxy-O-desmethylangolensin</a> / <a href="/entries/PHUB001368">Genistein O-sulfate</a> / <a href="/entries/PHUB002598">3'-Hydroxygenistein</a> / <a href="/entries/PHUB002600">8-hydroxy-genistein</a> / <a href="/entries/PHUB002599">6-Hydroxygenistein</a> / <a href="/entries/PHUB002601">Genistein-4',7-disulfate</a> / <a href="/entries/PHUB000225">Genistein</a> / <a href="/entries/PHUB002125">Genistein 4',7-diglucuronide</a> / <a href="/entries/PHUB002126">Genistein-7-O-glucuronide-4'-sulfate</a> / <a href="/entries/PHUB002127">Genistein 4'-O-glucuronide</a> / <a href="/entries/PHUB002129">Genistein 4'-O-sulfate</a> / <a href="/entries/PHUB002128">Genistein 7-O-sulfate</a> / <a href="/entries/PHUB001366">Dihydrogenistein</a> / <a href="/entries/PHUB000540">4-Ethylphenol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000225">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="226"><td></td><td><a href="/entries/PHUB000226">Genistin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000226</td><td>226</td><td>432.105646844</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,7,4'-Trihydroxyisoflavone 7-O-glucoside; Genistein 7-O-glucoside</td><td class="structure"><img data-src="/structures/PHUB000226/image.svg" src="" /></td><td>ZCOLJUOHXJRHDI-CMWLGVBASA-N</td><td></td><td>5-hydroxy-3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>432.381</td><td>1.01e+00 g/l</td><td>0.68</td><td>-2.63</td><td>InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343758667</td><td>7.2729960770884</td><td></td><td><a href="/entries/PHUB001366">Dihydrogenistein</a> / <a href="/entries/PHUB002127">Genistein 4'-O-glucuronide</a> / <a href="/entries/PHUB002129">Genistein 4'-O-sulfate</a> / <a href="/entries/PHUB001367">Genistein 7-O-glucuronide</a> / <a href="/entries/PHUB002128">Genistein 7-O-sulfate</a> / <a href="/entries/PHUB002125">Genistein 4',7-diglucuronide</a> / <a href="/entries/PHUB002126">Genistein-7-O-glucuronide-4'-sulfate</a> / <a href="/entries/PHUB000226">Genistin</a> / <a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000226">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="227"><td></td><td><a href="/entries/PHUB000227">Glycitein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000227</td><td>227</td><td>284.068473486</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td>7,4'-Dihydroxy-6-methoxyisoflavone; Glycitein</td><td class="structure"><img data-src="/structures/PHUB000227/image.svg" src="" /></td><td>DXYUAIFZCFRPTH-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one</td><td>284.267</td><td>5.56e-02 g/l</td><td>3.35</td><td>-3.71</td><td>InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3</td><td>COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1</td><td>-4.75168191145487</td><td>6.919338975199671</td><td><a href="/food_sources/139">Soy bean</a></td><td><a href="/entries/PHUB000227">Glycitein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000227">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="228"><td></td><td><a href="/entries/PHUB000228">Glycitin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000228</td><td>228</td><td>446.121296908</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7,4'-Dihydroxyi-6-methoxyisoflavone 7-O-glucoside; Glycitein 7-O-glucoside</td><td class="structure"><img data-src="/structures/PHUB000228/image.svg" src="" /></td><td>OZBAVEKZGSOMOJ-UHFFFAOYSA-N</td><td></td><td>3-(4-hydroxyphenyl)-6-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>446.408</td><td>5.39e-01 g/l</td><td>0.83</td><td>-2.92</td><td>InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3</td><td>COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1</td><td>-2.9810923549436046</td><td>8.96255671455879</td><td></td><td><a href="/entries/PHUB000228">Glycitin</a> / <a href="/entries/PHUB000227">Glycitein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000228">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="229"><td></td><td><a href="/entries/PHUB000229">Licoisoflavone A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000229</td><td>229</td><td>354.1103383</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Phaseoluteone</td><td class="structure"><img data-src="/structures/PHUB000229/image.svg" src="" /></td><td>KCUZCRLRQVRBBV-UHFFFAOYSA-N</td><td></td><td>3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one</td><td>354.358</td><td>1.93e-02 g/l</td><td>3.29</td><td>-4.26</td><td>InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3</td><td>CC(C)=CCC1=C(O)C(=CC=C1O)C1=COC2=C(C(O)=CC(O)=C2)C1=O</td><td>-5.347046407487893</td><td>6.535585812393612</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000229">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="230"><td></td><td><a href="/entries/PHUB000230">Prunetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000230</td><td>230</td><td>284.068473486</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000230/image.svg" src="" /></td><td>KQMVAGISDHMXJJ-UHFFFAOYSA-N</td><td></td><td>5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one</td><td>284.267</td><td>5.86e-02 g/l</td><td>3.36</td><td>-3.69</td><td>InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3</td><td>COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1</td><td>-4.737551646594349</td><td>7.323399360483996</td><td><a href="/food_sources/92">Liquorice</a> / <a href="/food_sources/365">Red clover</a> / <a href="/food_sources/267">Tart cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000230">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="231"><td></td><td><a href="/entries/PHUB000231">Puerarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000231</td><td>231</td><td>416.110732224</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Daidzein 8-C-glucoside</td><td class="structure"><img data-src="/structures/PHUB000231/image.svg" src="" /></td><td>HKEAFJYKMMKDOR-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one</td><td>416.382</td><td>1.08e+00 g/l</td><td>0.48</td><td>-2.59</td><td>InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2</td><td>OCC1OC(C(O)C(O)C1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1</td><td>-2.979192629201714</td><td>6.029875705606582</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a> / <a href="/entries/PHUB000231">Puerarin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000231">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="232"><td></td><td><a href="/entries/PHUB000232">Sayanedine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4'-Hydroxy-3',7-dimethoxyflavone</td><td>PHUB000232</td><td>232</td><td>298.084123551</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000232/image.svg" src="" /></td><td>JSDXTLJPMLRQOB-UHFFFAOYSA-N</td><td></td><td>3-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one</td><td>298.294</td><td>3.19e-02 g/l</td><td>3.47</td><td>-3.97</td><td>InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3</td><td>COC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(O)C(OC)=C1</td><td>-4.502711415347027</td><td>9.443992428443641</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000232">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="233"><td></td><td><a href="/entries/PHUB000233">4-Hydroxycoumarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000233</td><td>233</td><td>150.068079562</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000233/image.svg" src="" /></td><td>PTNLHDGQWUGONS-OWOJBTEDSA-N</td><td></td><td>4-[(1E)-3-hydroxyprop-1-en-1-yl]phenol</td><td>150.177</td><td>6.97e+00 g/l</td><td>1.55</td><td>-1.33</td><td>InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+</td><td>OC\C=C\C1=CC=C(O)C=C1</td><td>-2.5262025042442593</td><td>9.510114196257495</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000233">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="234"><td></td><td><a href="/entries/PHUB000234">Angelicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000234</td><td>234</td><td>186.031694053</td><td>C<sub>11</sub>H<sub>6</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Isosporalen</td><td class="structure"><img data-src="/structures/PHUB000234/image.svg" src="" /></td><td>XDROKJSWHURZGO-UHFFFAOYSA-N</td><td></td><td>2H-furo[2,3-h]chromen-2-one</td><td>186.166</td><td>1.48e-01 g/l</td><td>2.03</td><td>-3.10</td><td>InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H</td><td>[H]C1=C([H])C2=C(O1)C([H])=C([H])C1=C2OC(=O)C([H])=C1[H]</td><td>-2.891181088107437</td><td></td><td><a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/107">Parsnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000234">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="235"><td></td><td><a href="/entries/PHUB000235">Archangelicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000235</td><td>235</td><td>426.167853177</td><td>C<sub>24</sub>H<sub>26</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000235/image.svg" src="" /></td><td>RVGGCRQPGKFZDS-OGYNRYKTSA-N</td><td></td><td>2-[(9R)-9-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate</td><td>426.465</td><td>3.22e-03 g/l</td><td>4.93</td><td>-5.12</td><td>InChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21?/m1/s1</td><td>C\C=C(\C)C(=O)O[C@H]1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C(\C)=C/C</td><td>-4.901387533458658</td><td></td><td><a href="/food_sources/6">Angelica</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000235">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="236"><td></td><td><a href="/entries/PHUB000236">Bergamottin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000236</td><td>236</td><td>338.151809188</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000236/image.svg" src="" /></td><td>DBMJZOMNXBSRED-DHDCSXOGSA-N</td><td></td><td>4-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one</td><td>338.403</td><td>1.04e-02 g/l</td><td>5.30</td><td>-4.51</td><td>InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9-</td><td>CC(C)=CCC\C(C)=C/COC1=C2C=COC2=CC2=C1C=CC(=O)O2</td><td>-2.832524044388395</td><td></td><td><a href="/food_sources/292">Earl grey tea</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/87">Lemon</a> / <a href="/food_sources/91">Lime</a> / <a href="/food_sources/124">Pummelo</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000236">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="237"><td></td><td><a href="/entries/PHUB000237">Bergapten</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000237</td><td>237</td><td>216.042258738</td><td>C<sub>12</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-Methoxypsoralen</td><td class="structure"><img data-src="/structures/PHUB000237/image.svg" src="" /></td><td>BGEBZHIAGXMEMV-UHFFFAOYSA-N</td><td></td><td>4-methoxy-7H-furo[3,2-g]chromen-7-one</td><td>216.192</td><td>1.48e-01 g/l</td><td>2.12</td><td>-3.16</td><td>InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3</td><td>COC1=C2C=CC(=O)OC2=CC2=C1C=CO2</td><td>-2.830371964296339</td><td></td><td><a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/292">Earl grey tea</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/91">Lime</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/107">Parsnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000237">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="238"><td></td><td><a href="/entries/PHUB000238">Coumarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000238</td><td>238</td><td>146.036779433</td><td>C<sub>9</sub>H<sub>6</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,2-Benzopyrone</td><td class="structure"><img data-src="/structures/PHUB000238/image.svg" src="" /></td><td>ZYGHJZDHTFUPRJ-UHFFFAOYSA-N</td><td></td><td>2H-chromen-2-one</td><td>146.145</td><td>1.00e+00 g/l</td><td>1.72</td><td>-2.16</td><td>InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H</td><td>O=C1OC2=CC=CC=C2C=C1</td><td>-6.940141845991088</td><td></td><td><a href="/food_sources/26">Cassia cinnamon</a></td><td><a href="/entries/PHUB000589">Coumaric acid (o-)</a> / <a href="/entries/PHUB000250">Umbelliferone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000238">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="239"><td></td><td><a href="/entries/PHUB000239">Esculetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000239</td><td>239</td><td>178.026608673</td><td>C<sub>9</sub>H<sub>6</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6,7-dihydroxy-2H-1-benzopyran-2-one; 6,7-Dihydroxycoumarin; Aesculetin; Cichorigenin; Esculetol</td><td class="structure"><img data-src="/structures/PHUB000239/image.svg" src="" /></td><td>ILEDWLMCKZNDJK-UHFFFAOYSA-N</td><td></td><td>6,7-dihydroxy-2H-chromen-2-one</td><td>178.143</td><td>4.60e+00 g/l</td><td>1.38</td><td>-1.59</td><td>InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H</td><td>OC1=C(O)C=C2C=CC(=O)OC2=C1</td><td>-6.265690100804251</td><td>7.9149077763827895</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000239">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="240"><td></td><td><a href="/entries/PHUB000240">Esculin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000240</td><td>240</td><td>340.079432095</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6,7-Dihydroxycoumarin 6-beta-D-glucopyranoside; Aesculin; Bicolorin; Crataegin; Esculoside</td><td class="structure"><img data-src="/structures/PHUB000240/image.svg" src="" /></td><td>XHCADAYNFIFUHF-TVKJYDDYSA-N</td><td></td><td>7-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one</td><td>340.284</td><td>1.03e+01 g/l</td><td>-0.53</td><td>-1.52</td><td>InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810923549120067</td><td>8.116544190796061</td><td><a href="/food_sources/145">Sweet basil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000240">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="241"><td></td><td><a href="/entries/PHUB000241">Isopimpinellin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000241</td><td>241</td><td>246.052823422</td><td>C<sub>13</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,8-Dimethoxypsoralen</td><td class="structure"><img data-src="/structures/PHUB000241/image.svg" src="" /></td><td>DFMAXQKDIGCMTL-UHFFFAOYSA-N</td><td></td><td>4,9-dimethoxy-7H-furo[3,2-g]chromen-7-one</td><td>246.218</td><td>1.46e-01 g/l</td><td>2.01</td><td>-3.23</td><td>InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3</td><td>COC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2</td><td>-2.864664323949568</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000241">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="242"><td></td><td><a href="/entries/PHUB000242">Mellein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000242</td><td>242</td><td>178.062994182</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4-Dihydro-8-hydroxy-3-methylisocoumarin; Antibiotic AO-2; Antibiotic BV-1; Ochracin</td><td class="structure"><img data-src="/structures/PHUB000242/image.svg" src="" /></td><td>KWILGNNWGSNMPA-UHFFFAOYSA-N</td><td></td><td>8-hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one</td><td>178.187</td><td>3.14e+00 g/l</td><td>2.27</td><td>-1.75</td><td>InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3</td><td>CC1CC2=C(C(O)=CC=C2)C(=O)O1</td><td>-4.295219685147943</td><td>9.652553359850291</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000242">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="243"><td></td><td><a href="/entries/PHUB000243">Pimpinellin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000243</td><td>243</td><td>246.052823422</td><td>C<sub>13</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000243/image.svg" src="" /></td><td>BQPRWZCEKZLBHL-UHFFFAOYSA-N</td><td></td><td>5,6-dimethoxy-2H-furo[2,3-h]chromen-2-one</td><td>246.218</td><td>1.55e-01 g/l</td><td>2.00</td><td>-3.20</td><td>InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3</td><td>COC1=C(OC)C2=C(OC(=O)C=C2)C2=C1OC=C2</td><td>-2.8622042994971286</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000243">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="244"><td></td><td><a href="/entries/PHUB000244">Psoralen</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000244</td><td>244</td><td>186.031694053</td><td>C<sub>11</sub>H<sub>6</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6,7-Furanocoumarin; Ficusin</td><td class="structure"><img data-src="/structures/PHUB000244/image.svg" src="" /></td><td>ZCCUUQDIBDJBTK-UHFFFAOYSA-N</td><td></td><td>7H-furo[3,2-g]chromen-7-one</td><td>186.166</td><td>1.34e-01 g/l</td><td>2.15</td><td>-3.14</td><td>InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H</td><td>O=C1OC2=CC3=C(C=CO3)C=C2C=C1</td><td>-2.8920811389599157</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000244">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="245"><td></td><td><a href="/entries/PHUB000245">Scoparone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000245</td><td>245</td><td>206.057908802</td><td>C<sub>11</sub>H<sub>10</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dimethoxycoumarin; Dimethylesculetin</td><td class="structure"><img data-src="/structures/PHUB000245/image.svg" src="" /></td><td>GUAFOGOEJLSQBT-UHFFFAOYSA-N</td><td></td><td>6,7-dimethoxy-2H-chromen-2-one</td><td>206.197</td><td>4.06e-01 g/l</td><td>1.80</td><td>-2.71</td><td>InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3</td><td>COC1=C(OC)C=C2C=CC(=O)OC2=C1</td><td>-4.592532948517137</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000245">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="246"><td></td><td><a href="/entries/PHUB000246">Scopoletin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000246</td><td>246</td><td>192.042258738</td><td>C<sub>10</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6-Methoxyumbelliferone; 6-O-Methylesculetin; 7-Hydroxy-5-methoxycoumarin; Chrysatropic acid; Gelseminic acid</td><td class="structure"><img data-src="/structures/PHUB000246/image.svg" src="" /></td><td>RODXRVNMMDRFIK-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-6-methoxy-2H-chromen-2-one</td><td>192.17</td><td>2.35e+00 g/l</td><td>1.65</td><td>-1.91</td><td>InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3</td><td>COC1=C(O)C=C2OC(=O)C=CC2=C1</td><td>-4.882342454181455</td><td>8.263751612912468</td><td><a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000246">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="247"><td></td><td><a href="/entries/PHUB000247">Scopolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000247</td><td>247</td><td>354.09508216</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Murrayin</td><td class="structure"><img data-src="/structures/PHUB000247/image.svg" src="" /></td><td>SGTCGCCQZOUMJJ-YMILTQATSA-N</td><td></td><td>6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one</td><td>354.311</td><td>5.61e+00 g/l</td><td>-0.56</td><td>-1.80</td><td>InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1</td><td>COC1=CC2=C(OC(=O)C=C2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810923549436046</td><td>12.200013122172644</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000247">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="248"><td></td><td><a href="/entries/PHUB000248">Seselin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000248</td><td>248</td><td>228.078644246</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Amyrolin</td><td class="structure"><img data-src="/structures/PHUB000248/image.svg" src="" /></td><td>QUVCQYQEIOLHFZ-UHFFFAOYSA-N</td><td></td><td>8,8-dimethyl-2H,8H-pyrano[2,3-h]chromen-2-one</td><td>228.247</td><td>4.00e-02 g/l</td><td>3.00</td><td>-3.76</td><td>InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3</td><td>CC1(C)OC2=C(C=C1)C1=C(C=CC(=O)O1)C=C2</td><td>-4.90678503664917</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000248">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="249"><td></td><td><a href="/entries/PHUB000249">Sphondin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000249</td><td>249</td><td>216.042258738</td><td>C<sub>12</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000249/image.svg" src="" /></td><td>DLCJNIBLOSKIQW-UHFFFAOYSA-N</td><td></td><td>6-methoxy-2H-furo[2,3-h]chromen-2-one</td><td>216.192</td><td>1.56e-01 g/l</td><td>2.07</td><td>-3.14</td><td>InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3</td><td>COC1=C2OC=CC2=C2OC(=O)C=CC2=C1</td><td>-2.9338859622322193</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000249">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="250"><td></td><td><a href="/entries/PHUB000250">Umbelliferone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000250</td><td>250</td><td>162.031694053</td><td>C<sub>9</sub>H<sub>6</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Coumarins & Furanocoumarins metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7-Hydroxycoumarin; Dichrin A; Hydrangin; Skimmetin</td><td class="structure"><img data-src="/structures/PHUB000250/image.svg" src="" /></td><td>ORHBXUUXSCNDEV-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-2H-chromen-2-one</td><td>162.144</td><td>4.38e+00 g/l</td><td>1.85</td><td>-1.57</td><td>InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H</td><td>OC1=CC2=C(C=C1)C=CC(=O)O2</td><td>-6.940639034952481</td><td>7.8357602201831815</td><td><a href="/food_sources/23">Carrot</a> / <a href="/food_sources/29">Celery stalks</a> / <a href="/food_sources/52">Coriander</a> / <a href="/food_sources/57">Cumin</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/65">Fennel</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/107">Parsnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000250">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="251"><td></td><td><a href="/entries/PHUB000251">Xanthotoxin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000251</td><td>251</td><td>216.042258738</td><td>C<sub>12</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>8-Methoxypsoralen; Ammoidin; Methoxsalen</td><td class="structure"><img data-src="/structures/PHUB000251/image.svg" src="" /></td><td>QXKHYNVANLEOEG-UHFFFAOYSA-N</td><td></td><td>9-methoxy-7H-furo[3,2-g]chromen-7-one</td><td>216.192</td><td>1.64e-01 g/l</td><td>2.10</td><td>-3.12</td><td>InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3</td><td>COC1=C2OC(=O)C=CC2=CC2=C1OC=C2</td><td>-2.9251351971985664</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000251">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="252"><td></td><td><a href="/entries/PHUB000252">Xanthotoxol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000252</td><td>252</td><td>202.026608673</td><td>C<sub>11</sub>H<sub>6</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000252/image.svg" src="" /></td><td>JWVYQQGERKEAHW-UHFFFAOYSA-N</td><td></td><td>9-hydroxy-7H-furo[3,2-g]chromen-7-one</td><td>202.165</td><td>7.77e-01 g/l</td><td>1.90</td><td>-2.42</td><td>InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H</td><td>[H]OC1=C2OC(=O)C([H])=C([H])C2=C([H])C2=C1OC([H])=C2[H]</td><td>-2.9271450364718135</td><td>8.191142083977683</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000252">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="253"><td></td><td><a href="/entries/PHUB000253">Isobergapten</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000253</td><td>253</td><td>216.042258738</td><td>C<sub>12</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000253/image.svg" src="" /></td><td>AJSPSRWWZBBIOR-UHFFFAOYSA-N</td><td></td><td>5-methoxy-2H-furo[2,3-h]chromen-2-one</td><td>216.192</td><td>1.55e-01 g/l</td><td>2.06</td><td>-3.15</td><td>InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3</td><td>COC1=CC2=C(C=CO2)C2=C1C=CC(=O)O2</td><td>-2.8270283772676734</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000253">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="254"><td></td><td><a href="/entries/PHUB000254">Paradisin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000254</td><td>254</td><td>726.304012301</td><td>C<sub>42</sub>H<sub>46</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000254/image.svg" src="" /></td><td>AGWWNHLHAZTYCS-WFOJNGAISA-N</td><td></td><td>4-{[(2E)-7-hydroxy-6-{[(6Z)-3-hydroxy-2,6-dimethyl-8-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)oct-6-en-2-yl]oxy}-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one</td><td>726.819</td><td>5.26e-03 g/l</td><td>6.58</td><td>-5.14</td><td>InChI=1S/C42H46O11/c1-25(15-19-49-39-27-9-13-37(44)51-33(27)23-31-29(39)17-21-47-31)7-11-35(43)42(5,6)53-36(41(3,4)46)12-8-26(2)16-20-50-40-28-10-14-38(45)52-34(28)24-32-30(40)18-22-48-32/h9-10,13-18,21-24,35-36,43,46H,7-8,11-12,19-20H2,1-6H3/b25-15-,26-16+</td><td>C\C(CCC(O)C(C)(C)OC(CC\C(C)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2)C(C)(C)O)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2</td><td>-2.522748409479677</td><td>13.831956680166563</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000254">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="255"><td></td><td><a href="/entries/PHUB000255">6',7'-Dihydroxybergamottin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000255</td><td>255</td><td>372.157288493</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6,7-Dihydroxybergamottin</td><td class="structure"><img data-src="/structures/PHUB000255/image.svg" src="" /></td><td>IXZUPBUEKFXTSD-JYRVWZFOSA-N</td><td></td><td>4-{[(2Z)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one</td><td>372.417</td><td>4.41e-02 g/l</td><td>3.40</td><td>-3.93</td><td>InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8-</td><td>C\C(CCC(O)C(C)(C)O)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2</td><td>-2.8325240439758224</td><td>13.842452032303404</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000255">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="256"><td></td><td><a href="/entries/PHUB000256">Paradisin C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000256</td><td>256</td><td>726.304012301</td><td>C<sub>42</sub>H<sub>46</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000256/image.svg" src="" /></td><td>XJFYVHQSQCXVIW-LVSXPEEVSA-N</td><td></td><td>4-{[(2E)-5-(4'-{[(2E)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromen]-4-yl)-3-methylpent-2-en-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one</td><td>726.819</td><td>5.85e-03 g/l</td><td>6.59</td><td>-5.09</td><td>InChI=1S/C42H46O11/c1-25(7-10-35(43)40(3,4)45)14-19-49-39-28-13-18-42(51-34(28)24-32-30(39)17-22-47-32)52-36(41(5,6)53-42)11-8-26(2)15-20-48-38-27-9-12-37(44)50-33(27)23-31-29(38)16-21-46-31/h9,12-18,21-24,35-36,43,45H,7-8,10-11,19-20H2,1-6H3/b25-14+,26-15+</td><td>C\C(CCC(O)C(C)(C)O)=C/COC1=C2C=COC2=CC2=C1C=CC1(OC(CC\C(C)=C\COC3=C4C=COC4=CC4=C3C=CC(=O)O4)C(C)(C)O1)O2</td><td>-2.5145273014059124</td><td>13.842452032303404</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000256">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="257"><td></td><td><a href="/entries/PHUB000257">Herniarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000257</td><td>257</td><td>176.047344118</td><td>C<sub>10</sub>H<sub>8</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7-Methoxy-2H-chromen-2-one</td><td class="structure"><img data-src="/structures/PHUB000257/image.svg" src="" /></td><td>LIIALPBMIOVAHH-UHFFFAOYSA-N</td><td></td><td>7-methoxy-2H-chromen-2-one</td><td>176.171</td><td>4.99e-01 g/l</td><td>1.88</td><td>-2.55</td><td>InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3</td><td>COC1=CC2=C(C=CC(=O)O2)C=C1</td><td>-4.830651313921493</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000257">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="258"><td></td><td><a href="/entries/PHUB000258">Byakangelicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000258</td><td>258</td><td>334.10525292</td><td>C<sub>17</sub>H<sub>18</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000258/image.svg" src="" /></td><td>PKRPFNXROFUNDE-LLVKDONJSA-N</td><td></td><td>9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-7H-furo[3,2-g]chromen-7-one</td><td>334.324</td><td>3.26e-01 g/l</td><td>1.79</td><td>-3.01</td><td>InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1</td><td>COC1=C2C=COC2=C(OC[C@@H](O)C(C)(C)O)C2=C1C=CC(=O)O2</td><td>-2.8653153180616417</td><td>13.19627057849008</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000258">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="259"><td></td><td><a href="/entries/PHUB000259">Bergaptol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000259</td><td>259</td><td>202.026608673</td><td>C<sub>11</sub>H<sub>6</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000259/image.svg" src="" /></td><td>GIJHDGJRTUSBJR-UHFFFAOYSA-N</td><td></td><td>4-hydroxy-7H-furo[3,2-g]chromen-7-one</td><td>202.165</td><td>8.88e-01 g/l</td><td>1.86</td><td>-2.36</td><td>InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H</td><td>OC1=C2C=CC(=O)OC2=CC2=C1C=CO2</td><td>-2.831453889281308</td><td>6.449423197444384</td><td><a href="/food_sources/77">Grapefruit</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000259">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="260"><td></td><td><a href="/entries/PHUB000260">Paradisin B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000260</td><td>260</td><td>708.293447617</td><td>C<sub>42</sub>H<sub>44</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000260/image.svg" src="" /></td><td>ZXUKAZPCOMPMHC-CXLQOVKTSA-N</td><td></td><td>4-{[(2E)-6-{[(6Z)-3-hydroxy-2,6-dimethyl-8-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)oct-6-en-2-yl]oxy}-3,7-dimethylocta-2,7-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one</td><td>708.804</td><td>2.97e-03 g/l</td><td>6.98</td><td>-5.38</td><td>InChI=1S/C42H44O10/c1-25(2)32(11-7-26(3)15-19-48-40-28-9-13-38(44)50-35(28)23-33-30(40)17-21-46-33)52-42(5,6)37(43)12-8-27(4)16-20-49-41-29-10-14-39(45)51-36(29)24-34-31(41)18-22-47-34/h9-10,13-18,21-24,32,37,43H,1,7-8,11-12,19-20H2,2-6H3/b26-15+,27-16-</td><td>CC(=C)C(CC\C(C)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2)OC(C)(C)C(O)CC\C(C)=C/COC1=C2C=COC2=CC2=C1C=CC(=O)O2</td><td>-2.5229141251819622</td><td>13.99981695696102</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000260">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="261"><td></td><td><a href="/entries/PHUB000261">(+)-Catechin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(+)-Catechin</td><td>PHUB000261</td><td>261</td><td>290.079038171</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol; 3,5,7,3',4'-Pentahydroxyflavane; catechuic acid; Cianidanol</td><td class="structure"><img data-src="/structures/PHUB000261/image.svg" src="" /></td><td>PFTAWBLQPZVEMU-DZGCQCFKSA-N</td><td>154-23-4</td><td>(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>290.271</td><td>6.45e-01 g/l</td><td>1.02</td><td>-2.65</td><td>InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1</td><td>O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1</td><td>-3.2897193322428566</td><td>9.004573813837975</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/18">Broad bean</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/112">Pear</a> / <a href="/food_sources/113">
8Pecan nut</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/147">Sweet cherry</a></td><td><a href="/entries/PHUB001834">5-(4â-hydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001061">5-(3',4'-dihydroxyphenyl)valeric acid</a> / <a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB000261">(+)-Catechin</a> / <a href="/entries/PHUB002215">3'-O-Methylcatechin</a> / <a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a> / <a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB002206">Methoxy-(epi)catechin-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000261">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="262"><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin</td><td>PHUB000262</td><td>262</td><td>290.079038171</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td>(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; 3,5,7,3',4'-Pentahydroxyflavane; Epicatechol</td><td class="structure"><img data-src="/structures/PHUB000262/image.svg" src="" /></td><td>PFTAWBLQPZVEMU-UKRRQHHQSA-N</td><td>490-46-0</td><td>(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>290.271</td><td>6.45e-01 g/l</td><td>1.02</td><td>-2.65</td><td>InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1</td><td>O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O</td><td>-3.2897193322428566</td><td>9.004573813837975</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/18">Broad bean</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/168">Cider</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a> / <a href="/food_sources/200">Cocoa powder</a> / <a href="/food_sources/203">Common chokecherry</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/213">European cranberry</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/112">Pear</a> / <a href="/food_sources/250">Pomegranate</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/147">Sweet cherry</a> / <a href="/food_sources/151">Tea</a></td><td><a href="/entries/PHUB001029">(-)-Epicatechin 3'-O-glucuronide</a> / <a href="/entries/PHUB001030">(-)-Epicatechin 3'-O-sulfate</a> / <a href="/entries/PHUB001031">(-)-Epicatechin 4'-O-glucuronide</a> / <a href="/entries/PHUB001032">(-)-Epicatechin 4'-O-sulfate</a> / <a href="/entries/PHUB001033">(-)-Epicatechin 5-O-sulfate</a> / <a href="/entries/PHUB001034">(-)-Epicatechin 7-O-glucuronide</a> / <a href="/entries/PHUB001035">(-)-Epicatechin glucuronide</a> / <a href="/entries/PHUB001037">(-)-Epicatechin sulfoglucuronide</a> / <a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a> / <a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB001044">1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''
8-trihydroxyphenyl)propan-2-ol</a> / <a href="/entries/PHUB001045">1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol</a> / <a href="/entries/PHUB001046">3-(3',4'-Dihydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB001048">3'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001049">3'-O-Methyl-(-)-epicatechin 4'-O-sulfate</a> / <a href="/entries/PHUB001050">3'-O-Methyl-(-)-epicatechin 5-O-sulfate</a> / <a href="/entries/PHUB001051">3'-O-Methyl-(-)-epicatechin 7-O-sulfate</a> / <a href="/entries/PHUB001052">3'-O-Methyl-(-)-epicatechin glucuronide</a> / <a href="/entries/PHUB001053">3'-O-Methyl(epi)catechin O-sulfate</a> / <a href="/entries/PHUB001054">4'-O-Methyl-(-)-epicatechin 5-O-sulfate</a> / <a href="/entries/PHUB001055">4'-O-Methyl-(-)-epicatechin 7-O-sulfate</a> / <a href="/entries/PHUB001056">4'-O-Methyl-(-)-epicatechin glucuronide</a> / <a href="/entries/PHUB001057">4'-O-methyl(epi)catechin O-sulfate</a> / <a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001061">5-(3',4'-dihydroxyphenyl)valeric acid</a> / <a href="/entries/PHUB001063">5-(3'-hydroxyphenyl)valeric acid</a> / <a href="/entries/PHUB001064">Methyl-(-)-epicatechin sulfate</a> / <a href="/entries/PHUB001065">Methyl-(-)-epicatechin sulfoglucuronide</a> / <a href="/entries/PHUB001068">Phenylacetic acid</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001743">(-)-Epicatechin-5-O-glucuronide</a> / <a href="/entries/PHUB001744">3'-O-Methoxy-(-)-epicatechin-5-O-glucuronide</a> / <a href="/entries/PHUB001745">5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide</a> / <a href="/entries/PHUB001746">(-)-Epicatechin-7-O-glucuronide</a> / <a href="/entries/PHUB001747">3'-O-Methyl-epicatechin</a> / <a href="/entries/PHUB001748">4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide</a> / <a href="/entries/PHUB001749">5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid</a> / <a href="/entries/PHUB001750">5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate</a> / <a href="/entries/PHUB001751">5-(Phenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB001752">4-Hydroxybenzoic acid -3-sulfate</a> / <a href="/entries/PHUB001753">3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate</a> / <a href="/entries/PHUB001754">5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide</a> / <a href="/entries/PHUB001755">5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB001834">5-(4â-hydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001896">3'-Methyl-epicatechin-7-O-glucuronide</a> / <a href="/entries/PHUB001249">5-(3'-Hydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB002236">Methoxy-(â)-epicatechin-sulfate</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002266">3â²-Methoxy-(â)-epicatechin-5â²-glucuronide</a> / <a href="/entries/PHUB002147">(â)-Epicatechin-7-sulfate</a> / <a href="/entries/PHUB002310">4â²-methoxy-(â)-epicatechin-7-β-D-glucuronide</a> / <a href="/entries/PHUB001995">5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate</a> / <a href="/entries/PHUB001331">3-(3'-Hydroxyphenyl)hydracrylic acid</a> / <a href="/entries/PHUB002148">3â²-Methoxy-(â)-epicatechin-7-glucuronide</a> / <a href="/entries/PHUB001989">4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate</a> / <a href="/entries/PHUB002156">5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</a> / <a href="/entries/PHUB002146">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002157">Dihydroxyphenylacetic acid-sulfate</a> / <a href="/entries/PHUB002220">4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate</a> / <a href="/entries/PHUB002232">3'-Methoxy-(â)-epicatechin-glucuronide</a> / <a href="/entries/PHUB002183">5-(Phenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB001993">5-(3',4'-dihydroxyphenyl)-γ-valerolactone</a> / <a href="/entries/PHUB002234">5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</a> / <a href="/entries/PHUB002242">
85-(Phenyl)-valeric acid-sulfate-glucuronide</a> / <a href="/entries/PHUB002180">5-(Phenyl)-γ-valerolactone-methoxy-sulfate</a> / <a href="/entries/PHUB002185">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-sulfate</a> / <a href="/entries/PHUB002235">5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone</a> / <a href="/entries/PHUB002163">5-(Phenyl)-γ-valerolactone-methoxy-glucuronide</a> / <a href="/entries/PHUB002187">5-(Phenyl)-γ-valerolactone-4â²-methoxy-3â²-sulfate</a> / <a href="/entries/PHUB002216">5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate</a> / <a href="/entries/PHUB002238">4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide</a> / <a href="/entries/PHUB002258">4-Hydroxy-5-(phenyl)valeric acid-methoxy-sulfate</a> / <a href="/entries/PHUB002159">5-(Phenyl)-γ-valerolactone-glucuronide</a> / <a href="/entries/PHUB002161">5-(Phenyl)-γ-valerolactone-3â²,5â²-disulfate</a> / <a href="/entries/PHUB002162">5-(Phenyl)-γ-valerolactone-4',5'-disulfate</a> / <a href="/entries/PHUB002186">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002267">5-(Phenyl)-γ-valerolactone-sulfate</a> / <a href="/entries/PHUB002179">5-(Hydroxyphenyl)-γ-valerolactone-sulfate</a> / <a href="/entries/PHUB002177">5-(Dihydroxyphenyl)-γ-valerolactone-sulfate</a> / <a href="/entries/PHUB002176">5-(Dihydroxyphenyl)-γ-valerolactone-glucuronide</a> / <a href="/entries/PHUB002160">5-(Hydroxyphenyl)-γ-valerolactone-glucuronide</a> / <a href="/entries/PHUB002178">5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate</a> / <a href="/entries/PHUB002182">5-(Phenyl)-γ-valerolactone-4â²-sulfate</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB002206">Methoxy-(epi)catechin-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000262">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="263"><td></td><td><a href="/entries/PHUB000263">(-)-Epicatechin 3-O-gallate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(â)-Epicatechin-3-O-gallate</td><td>PHUB000263</td><td>263</td><td>442.08999678</td><td>C<sub>22</sub>H<sub>18</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000263/image.svg" src="" /></td><td>LSHVYAFMTMFKBA-TZIWHRDSSA-N</td><td>1257-08-5</td><td></td><td>442.376</td><td>4.43e-02 g/l</td><td>2.55</td><td>-4.00</td><td>InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1</td><td>OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C=C1</td><td></td><td></td><td><a href="/food_sources/297">Black tea</a> / <a href="/food_sources/298">Green tea</a></td><td><a href="/entries/PHUB001038">(Epi)catechin 3-O-gallate O-sulfate</a> / <a href="/entries/PHUB001066">O-Methyl(epi)catechin-3-O-gallate O-sulfate</a> / <a href="/entries/PHUB000263">(-)-Epicatechin 3-O-gallate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000263">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="264"><td></td><td><a href="/entries/PHUB000264">(-)-Epigallocatechin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(â)-Epigallocatechin</td><td>PHUB000264</td><td>264</td><td>306.073952791</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000264/image.svg" src="" /></td><td>XMOCLSLCDHWDHP-KEKZHRQWSA-N</td><td></td><td></td><td>306.27</td><td></td><td></td><td></td><td>InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15?/m1/s1</td><td>O[C@@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C(O)=C1</td><td></td><td></td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/298">Green tea</a></td><td><a href="/entries/PHUB001041">(Epi)gallocatechin O-glucuronide</a> / <a href="/entries/PHUB001042">(Epi)gallocatechin O-sulfate</a> / <a href="/entries/PHUB001058">4'-O-methyl(epi)gallocatechin O-glucuronide</a> / <a href="/entries/PHUB001059">4'-O-Methyl(epi)gallocatechin O-sulfate</a> / <a href="/entries/PHUB001833">5-(3â,4â,5â-trihydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB000264">(-)-Epigallocatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000264">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="265"><td></td><td><a href="/entries/PHUB000265">(-)-Epigallocatechin 3-O-gallate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(â)-Epigallocatechin-3-O-gallate</td><td>PHUB000265</td><td>265</td><td>458.0849114</td><td>C<sub>22</sub>H<sub>18</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>
8Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>EGCG</td><td class="structure"><img data-src="/structures/PHUB000265/image.svg" src="" /></td><td>WMBWREPUVVBILR-WIYYLYMNSA-N</td><td></td><td>(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate</td><td>458.375</td><td>7.28e-02 g/l</td><td>2.38</td><td>-3.80</td><td>InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1</td><td>OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1</td><td>-5.423934990004845</td><td>7.992993558286566</td><td><a href="/food_sources/297">Black tea</a> / <a href="/food_sources/298">Green tea</a></td><td><a href="/entries/PHUB001043">(Epi)gallocatechin-3-O-gallate O-sulfate</a> / <a href="/entries/PHUB001067">O-Methyl(epi)gallocatechin-3-O-gallate O-sulfate</a> / <a href="/entries/PHUB001833">5-(3â,4â,5â-trihydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB000265">(-)-Epigallocatechin 3-O-gallate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000265">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="266"><td></td><td><a href="/entries/PHUB000266">(+)-catechin-3-O-gallate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000266</td><td>266</td><td>442.08999678</td><td>C<sub>22</sub>H<sub>18</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000266/image.svg" src="" /></td><td>LSHVYAFMTMFKBA-ZQRQZVKFSA-N</td><td>25615-05-8</td><td></td><td>442.376</td><td>4.43e-02 g/l</td><td>2.55</td><td>-4.00</td><td>InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21?/m0/s1</td><td>OC1=CC(O)=C2C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1</td><td></td><td></td><td><a href="/food_sources/297">Black tea</a> / <a href="/food_sources/298">Green tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000266">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="267"><td></td><td><a href="/entries/PHUB000267">(+)-Catechin 3-O-glucose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000267</td><td>267</td><td>452.131861593</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000267/image.svg" src="" /></td><td>YOVYWMDLYSJYPO-UHFFFAOYSA-N</td><td></td><td>2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>452.412</td><td>2.26e+00 g/l</td><td>-0.02</td><td>-2.30</td><td>InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2</td><td>OCC1OC(OC2CC3=C(OC2C2=CC(O)=C(O)C=C2)C=C(O)C=C3O)C(O)C(O)C1O</td><td>-2.981083556126551</td><td>9.00365037222607</td><td><a href="/food_sources/88">Lentils</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000267">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="268"><td></td><td><a href="/entries/PHUB000268">(+)-Gallocatechin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(+)-Gallocatechin</td><td>PHUB000268</td><td>268</td><td>306.073952791</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000268/image.svg" src="" /></td><td>XMOCLSLCDHWDHP-SWLSCSKDSA-N</td><td></td><td>(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>306.27</td><td>8.71e-01 g/l</td><td>0.71</td><td>-2.55</td><td>InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1</td><td>O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1</td><td>-3.294998430960741</td><td>8.728532640650023</td><td><a href="/food_sources/297">Black tea</a> / <a href="/food_sources/298">Green tea</a></td><td><a href="/entries/PHUB000268">(+)-Gallocatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000268">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="269"><td></td><td><a href="/entries/PHUB000269">(+)-Gallocatechin 3-O-gallate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(+)-Gallocatechin-3-O-gallate</td><td>PHUB000269</td><td>269</td><td>458.0849114</td><td>C<sub>22</sub>H<sub>18</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000269/image.svg" src="" /></td><td>WMBWREPUVVBILR-ITUIMRKVSA-N</td><td></td><td>(3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate</td><td>458.375</td><td>7.28e-02 g/l</td><td>2.38</td><td>-3.80</td><td>InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21?/m1/s1</td><td>OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1</td><td>-5.423934990004845</td><td>7.992993558286566</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/298">Green tea</a></td><td><a href="/entries/PHUB000269">(+)-Gallocatechin 3-O-gallate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000269">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="270"><td></td><td><a href="/entries/PHUB000270">Afzelechin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000270</td><td>270</td><td>274.084123551</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,7,4'-tetrahydroxyflavan</td><td class="structure"><img data-src="/structures/PHUB000270/image.svg" src="" /></td><td>RSYUFYQTACJFML-CFMCSPIPSA-N</td><td></td><td>(3S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>274.272</td><td>4.63e-01 g/l</td><td>1.29</td><td>-2.77</td><td>InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15?/m0/s1</td><td>O[C@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C=C1</td><td>-3.284344058739364</td><td>9.14976039466817</td><td><a href="/food_sources/85">Kiwi</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000270">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="271"><td></td><td><a href="/entries/PHUB000271">Cinnamtannin B1</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000271</td><td>271</td><td>864.190164319</td><td>C<sub>45</sub>H<sub>36</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000271/image.svg" src="" /></td><td>BYSRPHRKESMCPO-LQNPQWRQSA-N</td><td></td><td>(1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol</td><td>864.765</td><td>1.64e-01 g/l</td><td>3.54</td><td>-3.72</td><td>InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1</td><td>[H][C@@]12[C@@H](O)[C@@](OC3=CC(O)=CC(O)=C13)(OC1=C2C2=C([C@@H]([C@@H](O)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2O[C@@H]([C@H](O)C3)C2=CC=C(O)C(O)=C2)C(O)=C1)C1=CC=C(O)C(O)=C1</td><td>-5.217533055260986</td><td>8.597961065379815</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000271">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="272"><td></td><td><a href="/entries/PHUB000272">Cinnamtannin D1</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000272</td><td>272</td><td>864.190164319</td><td>C<sub>45</sub>H<sub>36</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000272/image.svg" src="" /></td><td>BYSRPHRKESMCPO-HMQYECKYSA-N</td><td></td><td>(1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol</td><td>864.765</td><td>1.64e-01 g/l</td><td>3.54</td><td>-3.72</td><td>InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1</td><td>[H][C@@]12[C@@H](O)[C@@](OC3=CC(O)=CC(O)=C13)(OC1=C2C2=C([C@@H]([C@@H](O)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2O[C@@H]([C@@H](O)C3)C2=CC=C(O)C(O)=C2)C(O)=C1)C1=CC=C(O)C(O)=C1</td><td>-5.217533055260986</td><td>8.597961065379815</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000272">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="273"><td></td><td><a href="/entries/PHUB000273">Cinnamtannin A2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000273</td><td>273</td><td>1154.26920249</td><td>C<sub>60</sub>H<sub>50</sub>O<sub>24</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>EC-(4b,8)-EC-(4b,8)-EC-(4b,8)-EC; Tetramer D</td><td class="structure"><img data-src="/structures/PHUB000273/image.svg" src="" /></td><td>QFLMUASKTWGRQE-JNIIMKSASA-N</td><td></td><td>(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>1155.036</td><td>5.76e-01 g/l</td><td>4.05</td><td>-3.30</td><td>InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1</td><td>O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C([C@@H]7[C@@H](O)[C@H](OC8=CC(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1</td><td>-5.214622375623987</td><td>8.610721987894308</td><td><a href="/food_sources/345">Cocoa</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000273">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="274"><td></td><td><a href="/entries/PHUB000274">Epigallocatechin-(4b,8)-epicatechin-3-O-gallate ester</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000274</td><td>274</td><td>746.148299506</td><td>C<sub>37</sub>H<sub>30</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000274/image.svg" src="" /></td><td>LQQNPVZIFKLQPE-RGOYVLDUSA-N</td><td></td><td>(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate</td><td>746.63</td><td>1.11e-01 g/l</td><td>3.21</td><td>-3.83</td><td>InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(13-4-22(44)31(48)23(45)5-13)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1</td><td>O[C@H]1[C@H](OC2=C([C@@H]1C1=C(O)C=C(O)C3=C1O[C@@H]([C@@H](C3)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1)C(O)=CC(O)=C2)C1=CC(O)=C(O)C(O)=C1</td><td>-5.216193122819394</td><td>8.001657823545285</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000274">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="275"><td></td><td><a href="/entries/PHUB000275">Procyanidin dimer A2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000275</td><td>275</td><td>576.126776213</td><td>C<sub>30</sub>H<sub>24</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Epicatechin-(2b,7)(4b,8)-epicatechin; Proanthocyanidin A2; Procyanidin A2</td><td class="structure"><img data-src="/structures/PHUB000275/image.svg" src="" /></td><td>NSEWTSAADLNHNH-LSBOWGMISA-N</td><td></td><td>(1R,5R,6R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol</td><td>576.51</td><td>1.27e-01 g/l</td><td>2.43</td><td>-3.66</td><td>InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1</td><td>O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C1=C(O[C@@]3(OC4=C([C@H]1[C@H]3O)C(O)=CC(O)=C4)C1=CC(O)=C(O)C=C1)C=C2O</td><td>-3.8773309010145334</td><td>8.663185265721914</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/234">Lingonberry</a></td><td><a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB000527">3',4'-Dihydroxyphenylacetic acid</a> / <a href="/entries/PHUB001048">3'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001078">3-Phenylpropionic acid</a> / <a href="/entries/PHUB000297">Benzoic acid</a> / <a href="/entries/PHUB001068">Phenylacetic acid</a> / <a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000275">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="276"><td></td><td><a href="/entries/PHUB000276">Procyanidin dimer B1</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000276</td><td>276</td><td>578.142426277</td><td>C<sub>30</sub>H<sub>26</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2R,2'R,3R,3'S,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,; 3,3',4',5,7-Pentahydroxyflavan-(4â8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'S,4α)-form; Epicatechin-(4b,8)-catechin; Proanthocyanidin B1; procyanidin B1</td><td class="structure"><img data-src="/structures/PHUB000276/image.svg" src="" /></td><td>XFZJEEAOWLFHDH-UKWJTHFESA-N</td><td>20315-25-7</td><td>(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>578.526</td><td>1.38e-01 g/l</td><td>2.29</td><td>-3.62</td><td>InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1</td><td>O[C@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1</td><td>-5.176560370760914</td><td>8.693248815093794</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000276">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="277"><td></td><td><a href="/entries/PHUB000277">Procyanidin dimer B2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Procyanidin B2</td><td>PHUB000277</td><td>277</td><td>578.142426277</td><td>C<sub>30</sub>H<sub>26</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5; Epicatechin-(4b,8)-epicatechin; Proanthocyanidin B2; procyanidin B2; Procyanidol B2</td><td class="structure"><img data-src="/structures/PHUB000277/image.svg" src="" /></td><td>XFZJEEAOWLFHDH-NFJBMHMQSA-N</td><td>29106-49-8</td><td>(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>578.526</td><td>1.38e-01 g/l</td><td>2.29</td><td>-3.62</td><td>InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1</td><td>[H][C@]1([C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC(O)=C(O)C=C1</td><td>-5.176560370760914</td><td>8.693248815093794</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a> / <a href="/food_sources/298">Green tea</a></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB001241">(Epi)catechin</a> / <a href="/entries/PHUB001044">1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol</a> / <a href="/entries/PHUB001045">1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol</a> / <a href="/entries/PHUB001046">3-(3',4'-Dihydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB001048">3'
8-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001061">5-(3',4'-dihydroxyphenyl)valeric acid</a> / <a href="/entries/PHUB001249">5-(3'-Hydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001063">5-(3'-hydroxyphenyl)valeric acid</a> / <a href="/entries/PHUB001251">Hydroxyprocyanidin B2</a> / <a href="/entries/PHUB001068">Phenylacetic acid</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000277">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="278"><td></td><td><a href="/entries/PHUB000278">Procyanidin dimer B3</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000278</td><td>278</td><td>578.142426277</td><td>C<sub>30</sub>H<sub>26</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Catechin-(4a,8)-catechin</td><td class="structure"><img data-src="/structures/PHUB000278/image.svg" src="" /></td><td>XFZJEEAOWLFHDH-AVFWISQGSA-N</td><td>23567-23-9</td><td>(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>578.526</td><td>1.38e-01 g/l</td><td>2.29</td><td>-3.62</td><td>InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1</td><td>[H][C@@]1([C@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@@H](O)C2)C1=CC(O)=C(O)C=C1</td><td>-5.176560370760914</td><td>8.693248815093794</td><td><a href="/food_sources/14">Beer</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000278">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="279"><td></td><td><a href="/entries/PHUB000279">Procyanidin dimer B4</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000279</td><td>279</td><td>578.142426277</td><td>C<sub>30</sub>H<sub>26</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Catechin-(4a,8)-epicatechin; Procyanidin B4</td><td class="structure"><img data-src="/structures/PHUB000279/image.svg" src="" /></td><td>XFZJEEAOWLFHDH-VUGKQVTMSA-N</td><td></td><td>(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>578.526</td><td>1.38e-01 g/l</td><td>2.29</td><td>-3.62</td><td>InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1</td><td>[H][C@@]1([C@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](O)C2)C1=CC(O)=C(O)C=C1</td><td>-5.176560370760914</td><td>8.693248815093794</td><td><a href="/food_sources/297">Black tea</a> / <a href="/food_sources/298">Green tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000279">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="280"><td></td><td><a href="/entries/PHUB000280">Procyanidin dimer B5</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000280</td><td>280</td><td>578.142426277</td><td>C<sub>30</sub>H<sub>26</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,3',4',5,7-Pentahydroxyflavan-(4â6)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4α)-form; Epicaetchin-(4b,6)-epicatechin; Proanthocyanidin B5; procyanidin B5; Procyanidol B5</td><td class="structure"><img data-src="/structures/PHUB000280/image.svg" src="" /></td><td>GMISZFQPFDAPGI-CVJZBMGUSA-N</td><td>12798-57-1</td><td>(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>578.526</td><td>1.31e-01 g/l</td><td>2.31</td><td>-3.65</td><td>InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29-,30-/m1/s1</td><td>O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([C@@H]1[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O</td><td>-5.176745497915187</td><td>8.696085363131802</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a></td><td><a href="/entries/PHUB001241">(Epi)catechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000280">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="281"><td></td><td><a href="/entries/PHUB000281">Procyanidin dimer B7</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000281</td><td>281</td><td>578.142426277</td><td>C<sub>30</sub>H<sub>26</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Epicatechin-(4,6)-catechin</td><td class="structure"><img data-src="/structures/PHUB000281/image.svg" src="" /></td><td>OHIUVDQGXUITJQ-RRZQRCDDSA-N</td><td></td><td>(2R,4S)-2-(3,4-dihydroxyphenyl)-4-[(3R,4S)-3-(3,4-dihydroxyphenyl)-4,6,8-trihydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>578.526</td><td>1.40e-01 g/l</td><td>2.22</td><td>-3.62</td><td>InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28?,29-,30-/m1/s1</td><td>OC1[C@H](OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C2=C(C=C1O)[C@H](O)[C@H](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1</td><td>-5.2146576420773325</td><td>8.552048816378782</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/298">Green tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000281">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="282"><td></td><td><a href="/entries/PHUB000282">Procyanidin trimer C1</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000282</td><td>282</td><td>866.205814384</td><td>C<sub>45</sub>H<sub>38</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>[Epicatechin-(4βâ8)]2-epicatechin; Epicatechin-(4b,8)-epicatechin-(4b,8)-epicatechin; Proanthocyanidin C1; Procyanidin C1; Procyanidol C1</td><td class="structure"><img data-src="/structures/PHUB000282/image.svg" src="" /></td><td>MOJZMWJRUKIQGL-XILRTYJMSA-N</td><td>37064-30-5</td><td>(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>866.781</td><td>2.47e-01 g/l</td><td>3.38</td><td>-3.55</td><td>InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19
8-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1</td><td>[H][C@]1([C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C2O[C@@H]([C@H](O)[C@@]([H])(C3=C(O)C=C(O)C4=C3O[C@@H]([C@H](O)C4)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1</td><td>-5.195437355996722</td><td>8.64013483499428</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a> / <a href="/food_sources/298">Green tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000282">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="283"><td></td><td><a href="/entries/PHUB000283">Procyanidin trimer C2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000283</td><td>283</td><td>866.205814384</td><td>C<sub>45</sub>H<sub>38</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Catechin-(4,8)-catechin-(4,8)-catechin</td><td class="structure"><img data-src="/structures/PHUB000283/image.svg" src="" /></td><td>MOJZMWJRUKIQGL-WNCKYJNFSA-N</td><td></td><td>(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>866.781</td><td>2.47e-01 g/l</td><td>3.38</td><td>-3.55</td><td>InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41+,42+,43+/m0/s1</td><td>O[C@H]1CC2=C(O)C=C(O)C([C@H]3[C@H](O)[C@H](OC4=C([C@H]5[C@H](O)[C@H](OC6=CC(O)=CC(O)=C56)C5=CC(O)=C(O)C=C5)C(O)=CC(O)=C34)C3=CC(O)=C(O)C=C3)=C2O[C@@H]1C1=CC(O)=C(O)C=C1</td><td>-5.195437355996722</td><td>8.64013483499428</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000283">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="284"><td></td><td><a href="/entries/PHUB000284">Prodelphinidin dimer B3</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000284</td><td>284</td><td>594.137340897</td><td>C<sub>30</sub>H<sub>26</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dimer GC-C; Gallocatechin-(4,8)-catechin</td><td class="structure"><img data-src="/structures/PHUB000284/image.svg" src="" /></td><td>ZYDDITZPGFXQSD-SMSOEIQDSA-N</td><td></td><td>(2R,3S,4S)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>594.525</td><td>1.76e-01 g/l</td><td>2.22</td><td>-3.53</td><td>InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25-,27-,28+,29+/m0/s1</td><td>O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C([C@H]1[C@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C(O)=C1)=C(O)C=C2O</td><td>-5.176560376570384</td><td>8.56418332061728</td><td><a href="/food_sources/14">Beer</a> / <a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000284">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="285"><td></td><td><a href="/entries/PHUB000285">Theaflavin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000285</td><td>285</td><td>564.126776213</td><td>C<sub>29</sub>H<sub>24</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000285/image.svg" src="" /></td><td>IPMYMEWFZKHGAX-HFJQIFDKSA-N</td><td></td><td>3,4,6-trihydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-1-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-5-one</td><td>564.499</td><td>2.19e-01 g/l</td><td>1.84</td><td>-3.41</td><td>InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21?,22-,28?,29?/m0/s1</td><td>O[C@H]1CC2=C(OC1C1=CC(O)=C(O)C3=C1C=C(C=C(O)C3=O)C1OC3=C(CC1O)C(O)=CC(O)=C3)C=C(O)C=C2O</td><td>-3.303682282578992</td><td>7.732826577901773</td><td><a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000285">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="286"><td></td><td><a href="/entries/PHUB000286">Theaflavin 3,3'-O-digallate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000286</td><td>286</td><td>868.14869343</td><td>C<sub>43</sub>H<sub>32</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000286/image.svg" src="" /></td><td>ZEASWHWETFMWCV-WFSKSMLXSA-N</td><td></td><td>(3S)-2-{8-[(3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-1-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate</td><td>868.709</td><td>1.04e-01 g/l</td><td>3.78</td><td>-3.92</td><td>InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34+,40?,41?/m1/s1</td><td>OC1=CC2=C(C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C3=C2C=C(C=C(O)C3=O)C2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1</td><td>-3.5680281383080943</td><td>7.505413791253961</td><td><a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000286">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="287"><td></td><td><a href="/entries/PHUB000287">Theaflavin 3'-O-gallate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000287</td><td>287</td><td>716.137734822</td><td>C<sub>36</sub>H<sub>28</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000287/image.svg" src="" /></td><td>GPLOTACQBREROW-SYLKOZIVSA-N</td><td></td><td>(3S)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-1-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate</td><td>716.604</td><td>1.23e-01 g/l</td><td>3.03</td><td>-3.76</td><td>InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29+,34?,35?/m1/s1</td><td>O[C@@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC2=C(C(O)=C(O)C=C2C2OC3=C(C[C@@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(=O)C(O)=C1</td><td>-3.5208530005404612</td><td>7.577411085529821</td><td><a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000287">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="288"><td></td><td><a href="/entries/PHUB000288">Theaflavin 3-O-gallate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000288</td><td>288</td><td>716.137734822</td><td>C<sub>36</sub>H<sub>28</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000288/image.svg" src="" /></td><td>KMJPKUVSXFVQGZ-AAAVWHKFSA-N</td><td></td><td>(3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate</td><td>716.604</td><td>1.21e-01 g/l</td><td>3.02</td><td>-3.77</td><td>InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29+,34?,35?/m0/s1</td><td>O[C@H]1CC2=C(OC1C1=CC(O)=C(O)C3=C1C=C(C=C(O)C3=O)C1OC3=C(C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=CC(O)=C3)C=C(O)C=C2O</td><td>-3.547113892147276</td><td>7.576840675088048</td><td><a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000288">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="289"><td></td><td><a href="/entries/PHUB000289">Theasinensin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000289</td><td>289</td><td>914.154172735</td><td>C<sub>44</sub>H<sub>34</sub>O<sub>22</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000289/image.svg" src="" /></td><td>YUULFXAQUWEYNP-GXAWFILRSA-N</td><td></td><td>(2R,3R)-2-{6'-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2',3',4,4',5,6-hexahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate</td><td>914.734</td><td>1.46e-01 g/l</td><td>3.48</td><td>-3.80</td><td>InChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2/t31-,32-,41-,42-/m1/s1</td><td>OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)[C@H]2OC3=C(C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)=C1</td><td>-5.548931353691426</td><td>7.580599396838494</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000289">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="290"><td></td><td><a href="/entries/PHUB000290">2,3-Dihydroxybenzoic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000290</td><td>290</td><td>154.026608673</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>o-Pyrocatechuic acid</td><td class="structure"><img data-src="/structures/PHUB000290/image.svg" src="" /></td><td>GLDQAMYCGOIJDV-UHFFFAOYSA-N</td><td></td><td>2,3-dihydroxybenzoic acid</td><td>154.121</td><td>6.88e+00 g/l</td><td>1.42</td><td>-1.35</td><td>InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)</td><td>OC(=O)C1=C(O)C(O)=CC=C1</td><td>-6.335994161973776</td><td>2.558862406726723</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000290">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="291"><td></td><td><a href="/entries/PHUB000291">2,4-Dihydroxybenzoic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000291</td><td>291</td><td>154.026608673</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000291/image.svg" src="" /></td><td>UIAFKZKHHVMJGS-UHFFFAOYSA-N</td><td></td><td>2,4-dihydroxybenzoic acid</td><td>154.121</td><td>1.24e+01 g/l</td><td>1.23</td><td>-1.10</td><td>InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)</td><td>OC(=O)C1=C(O)C=C(O)C=C1</td><td>-5.764980976405365</td><td>3.099538143862834</td><td><a href="/food_sources/5">American cranberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000291">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="292"><td></td><td><a href="/entries/PHUB000292">2,6-Dihydroxybenzoic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000292</td><td>292</td><td>154.026608673</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000292/image.svg" src="" /></td><td>AKEUNCKRJATALU-UHFFFAOYSA-N</td><td></td><td>2,6-dihydroxybenzoic acid</td><td>154.121</td><td>7.49e+00 g/l</td><td>1.28</td><td>-1.31</td><td>InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)</td><td>OC(=O)C1=C(O)C=CC=C1O</td><td>-5.989155147862663</td><td>1.6401995829108422</td><td><a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000292">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="293"><td></td><td><a href="/entries/PHUB000293">α-resorcylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,5-Dihydroxybenzoic acid</td><td>PHUB000293</td><td>293</td><td>154.026608673</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-Dihydroxybenzoic acid; 5-Carboxyresorcinol</td><td class="structure"><img data-src="/structures/PHUB000293/image.svg" src="" /></td><td>UYEMGAFJOZZIFP-UHFFFAOYSA-N</td><td>99-10-5</td><td>3,5-dihydroxybenzoic acid</td><td>154.121</td><td>1.20e+01 g/l</td><td>1.29</td><td>-1.11</td><td>InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)</td><td>OC(=O)C1=CC(O)=CC(O)=C1</td><td>-5.714022330881937</td><td>3.6141076332493496</td><td></td><td><a href="/entries/PHUB000556">5-Nonadecylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000293">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="294"><td></td><td><a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Hydroxybenzoic acid</td><td>PHUB000294</td><td>294</td><td>138.031694053</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>3</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3-Hydroxybenzenecarboxylic acid; m-Hydroxybenzoic acid</td><td class="structure"><img data-src="/structures/PHUB000294/image.svg" src="" /></td><td>IJFXRHURBJZNAO-UHFFFAOYSA-N</td><td>99-06-9</td><td>3-hydroxybenzoic acid</td><td>138.122</td><td>1.02e+01 g/l</td><td>1.81</td><td>-1.13</td><td>InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)</td><td>OC(=O)C1=CC(O)=CC=C1</td><td>-6.007037034515305</td><td>3.844596909709927</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000585">5-O-Caffeoylquinic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB001698">Hydroxytyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000294">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="295"><td></td><td><a href="/entries/PHUB000295">p-Hydroxybenzoic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxybenzoic acid</td><td>PHUB000295</td><td>295</td><td>138.031694053</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-Hydroxybenzene carboxylic acid; 4-Hydroxybenzoic acid; p-Hydroxybenzoic acid</td><td class="structure"><img data-src="/structures/PHUB000295/image.svg" src="" /></td><td>FJKROLUGYXJWQN-UHFFFAOYSA-N</td><td>99-96-7</td><td>4-hydroxybenzoic acid</td><td>138.122</td><td>1.19e+01 g/l</td><td>1.58</td><td>-1.06</td><td>InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)</td><td>OC(=O)C1=CC=C(O)C=C1</td><td>-6.063011046171022</td><td>4.379964053135935</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/213">European cranberry</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000295">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="296"><td></td><td><a href="/entries/PHUB000296">4-Hydroxybenzoic acid 4-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000296</td><td>296</td><td>300.084517475</td><td>C<sub>13</sub>H<sub>16</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-hydroxybenzoic acid-O-glucoside</td><td class="structure"><img data-src="/structures/PHUB000296/image.svg" src="" /></td><td>XSSDYIMYZONMBL-UHFFFAOYSA-N</td><td></td><td>4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid</td><td>300.263</td><td>1.52e+01 g/l</td><td>-0.99</td><td>-1.30</td><td>InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)</td><td>OCC1OC(OC2=CC=C(C=C2)C(O)=O)C(O)C(O)C1O</td><td>-2.981092343686506</td><td>4.319042228061938</td><td><a href="/food_sources/171">Anise</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/21">Caraway</a> / <a href="/food_sources/52">Coriander</a> / <a href="/food_sources/65">Fennel</a> / <a href="/food_sources/256">Red raspberry</a> / <a href="/food_sources/271">Star anise</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000296">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="297"><td></td><td><a href="/entries/PHUB000297">Benzoic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000297</td><td>297</td><td>122.036779433</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB000297/image.svg" src="" /></td><td>WPYMKLBDIGXBTP-UHFFFAOYSA-N</td><td></td><td>benzoic acid</td><td>122.123</td><td>7.08e+00 g/l</td><td>1.72</td><td>-1.24</td><td>InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)</td><td>OC(=O)C1=CC=CC=C1</td><td></td><td>4.07523327743486</td><td><a href="/food_sources/5">American cranberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000297">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="298"><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000298</td><td>298</td><td>302.006267153</td><td>C<sub>14</sub>H<sub>6</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td>Benzoaric acid; Gallic acid dimer; Lagistase</td><td class="structure"><img data-src="/structures/PHUB000298/image.svg" src="" /></td><td>AFSDNFLWKVMVRB-UHFFFAOYSA-N</td><td>476-66-4</td><td>6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione</td><td>302.194</td><td>8.23e-01 g/l</td><td>1.59</td><td>-2.57</td><td>InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H</td><td>OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O</td><td>-4.795892148122409</td><td>5.538315807620176</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/426">Cagaita</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/318">Cranberry</a> / <a href="/food_sources/212">European chestnut</a> / <a href="/food_sources/167">Grapes</a> / <a href="/food_sources/412">Grumixama juice</a> / <a href="/food_sources/422">Jabuticaba</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/113">
8Pecan nut</a> / <a href="/food_sources/250">Pomegranate</a> / <a href="/food_sources/347">Pomegranate juice</a> / <a href="/food_sources/256">Red raspberry</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/287">Whisky</a></td><td><a href="/entries/PHUB001391">Urolithin A</a> / <a href="/entries/PHUB001392">Urolithin A-3-glucuronide</a> / <a href="/entries/PHUB001393">Urolithin A-8-O-glucuronide</a> / <a href="/entries/PHUB001394">Urolithin B</a> / <a href="/entries/PHUB001395">Urolithin B-3-glucuronide</a> / <a href="/entries/PHUB001396">Urolithin C</a> / <a href="/entries/PHUB001397">Urolithin C-3-glucuronide</a> / <a href="/entries/PHUB001398">Urolithin D</a> / <a href="/entries/PHUB001399">Urolithin D glucuronide</a> / <a href="/entries/PHUB001647">Isourolithin A</a> / <a href="/entries/PHUB001648">Isourolithin A-3-glucuronide</a> / <a href="/entries/PHUB001927">Urolithin M6</a> / <a href="/entries/PHUB001931">Urolithin M7</a> / <a href="/entries/PHUB001970">Urolithin A-3-sulfate</a> / <a href="/entries/PHUB001971">Urolithin B-sulfate</a> / <a href="/entries/PHUB002888">Isourolithin A-9-glucuronide</a> / <a href="/entries/PHUB000298">Ellagic acid</a> / <a href="/entries/PHUB001929">Urolithin M6R</a> / <a href="/entries/PHUB001932">Urolithin CR</a> / <a href="/entries/PHUB001933">Urolithin M7R</a> / <a href="/entries/PHUB001940">Urolithin AR</a> / <a href="/entries/PHUB001949">Urolithin M5</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000298">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="299"><td></td><td><a href="/entries/PHUB000299">Ellagic acid acetyl-arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000299</td><td>299</td><td>476.059090575</td><td>C<sub>21</sub>H<sub>16</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Acetyl-arabinosyl-ellagic acid; Ellagic acid 4-(4''-acetyl)-α-D-arabinopyranoside</td><td class="structure"><img data-src="/structures/PHUB000299/image.svg" src="" /></td><td>HRUPKKAITRRGMV-XEUURLQDSA-N</td><td></td><td>(3S,4S,5R,6S)-4,5-dihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)oxan-3-yl acetate</td><td>476.346</td><td>2.13e+00 g/l</td><td>1.44</td><td>-2.35</td><td>InChI=1S/C21H16O13/c1-5(22)31-10-4-30-21(16(27)14(10)25)32-9-3-7-12-11-6(19(28)34-18(12)15(9)26)2-8(23)13(24)17(11)33-20(7)29/h2-3,10,14,16,21,23-27H,4H2,1H3/t10-,14+,16+,21-/m0/s1</td><td>CC(=O)O[C@H]1CO[C@@H](OC2=CC3=C4C(OC(=O)C5=CC(O)=C(O)C(OC3=O)=C45)=C2O)[C@H](O)[C@@H]1O</td><td>-3.623352837874834</td><td>5.8294418680461995</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000299">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="300"><td></td><td><a href="/entries/PHUB000300">Ellagic acid acetyl-xyloside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000300</td><td>300</td><td>476.059090575</td><td>C<sub>21</sub>H<sub>16</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Acetyl-xylosyl-ellagic acid; Ellagic acid 4-(4''-acetyl)-α-D-xylopyranoside</td><td class="structure"><img data-src="/structures/PHUB000300/image.svg" src="" /></td><td>HRUPKKAITRRGMV-ZMMKYTMGSA-N</td><td></td><td>(3R,4S,5R,6S)-4,5-dihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)oxan-3-yl acetate</td><td>476.346</td><td>2.13e+00 g/l</td><td>1.44</td><td>-2.35</td><td>
8InChI=1S/C21H16O13/c1-5(22)31-10-4-30-21(16(27)14(10)25)32-9-3-7-12-11-6(19(28)34-18(12)15(9)26)2-8(23)13(24)17(11)33-20(7)29/h2-3,10,14,16,21,23-27H,4H2,1H3/t10-,14+,16-,21+/m1/s1</td><td>[H][C@]1(CO[C@@]([H])(OC2=CC3=C4C(OC(=O)C5=CC(O)=C(O)C(OC3=O)=C45)=C2O)[C@]([H])(O)[C@@]1([H])O)OC(C)=O</td><td>-3.623352837874834</td><td>5.8294418680461995</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000300">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="301"><td></td><td><a href="/entries/PHUB000301">Ellagic acid arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000301</td><td>301</td><td>434.048525891</td><td>C<sub>19</sub>H<sub>14</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Arabinosyl-ellagic acid; Ellagic acid 4-α-L-arabinofuranoside</td><td class="structure"><img data-src="/structures/PHUB000301/image.svg" src="" /></td><td>KNURQRIPZJJYQO-CETNRSAQSA-N</td><td></td><td>7,13,14-trihydroxy-6-{[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione</td><td>434.309</td><td>3.40e+00 g/l</td><td>0.77</td><td>-2.11</td><td>InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14+,19-/m0/s1</td><td>O[C@H]1CO[C@@H](OC2=CC3=C4C(OC(=O)C5=CC(O)=C(O)C(OC3=O)=C45)=C2O)[C@H](O)[C@@H]1O</td><td>-3.526598523978437</td><td>5.829441859641029</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000301">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="302"><td></td><td><a href="/entries/PHUB000302">Ellagic acid glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000302</td><td>302</td><td>464.059090575</td><td>C<sub>20</sub>H<sub>16</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000302/image.svg" src="" /></td><td>DOPSJTNYZLQUNU-GKFBVJRCSA-N</td><td></td><td>7,13,14-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione</td><td>464.335</td><td>4.74e+00 g/l</td><td>0.17</td><td>-1.99</td><td>InChI=1S/C20H16O13/c21-3-8-12(24)14(26)15(27)20(31-8)30-7-2-5-10-9-4(18(28)33-17(10)13(7)25)1-6(22)11(23)16(9)32-19(5)29/h1-2,8,12,14-15,20-27H,3H2/t8-,12+,14+,15-,20-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C4C(OC(=O)C5=CC(O)=C(O)C(OC3=O)=C45)=C2O)[C@H](O)[C@@H](O)[C@H]1O</td><td>-2.9810923549502286</td><td>5.829438486013739</td><td><a href="/food_sources/347">Pomegranate juice</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000302">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="303"><td></td><td><a href="/entries/PHUB000303">Gallic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4,5-trihydroxybenzoic acid</td><td>PHUB000303</td><td>303</td><td>170.021523293</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3,4,5-Trihydroxybenzoic acid</td><td class="structure"><img data-src="/structures/PHUB000303/image.svg" src="" /></td><td>LNTHITQWFMADLM-UHFFFAOYSA-N</td><td>149-91-7</td><td>3,4,5-trihydroxybenzoic acid</td><td>170.12</td><td>4.94e+00 g/l</td><td>1.17</td><td>-1.54</td><td>InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)</td><td>OC(=O)C1=CC(O)=C(O)C(O)=C1</td><td>-6.048647901640676</td><td>3.9415641190048674</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/189">Chestnut</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/347">Pomegranate juice</a> / <a href="/food_sources/287">Whisky</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000303">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="304"><td></td><td><a href="/entries/PHUB000304">Digallic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000304</td><td>304</td><td>322.032481902</td><td>C<sub>14</sub>H<sub>10</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Gallic acid 3-O-gallate</td><td class="structure"><img data-src="/structures/PHUB000304/image.svg" src="" /></td><td>COVFEVWNJUOYRL-UHFFFAOYSA-N</td><td></td><td>3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acid</td><td>322.225</td><td>2.57e-01 g/l</td><td>2.28</td><td>-3.10</td><td>InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)</td><td>OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1</td><td>-4.771491727533871</td><td>3.9120399911858206</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000304">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="305"><td></td><td><a href="/entries/PHUB000305">Gallic acid 4-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000305</td><td>305</td><td>332.074346715</td><td>C<sub>13</sub>H<sub>16</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000305/image.svg" src="" /></td><td>YPSNWSNUXIIKHO-YANYRWCTSA-N</td><td></td><td>3,5-dihydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid</td><td>332.261</td><td>2.04e+01 g/l</td><td>-1.10</td><td>-1.21</td><td>InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1</td><td>[H][C@]1(CO)O[C@@]([H])(OC2=C(O)C=C(C=C2O)C(O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-2.9810923662009268</td><td>3.8844141432859303</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000305">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="306"><td></td><td><a href="/entries/PHUB000306">Gallic acid ethyl ester</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000306</td><td>306</td><td>198.052823422</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Ethyl gallate</td><td class="structure"><img data-src="/structures/PHUB000306/image.svg" src="" /></td><td>VFPFQHQNJCMNBZ-UHFFFAOYSA-N</td><td></td><td>ethyl 3,4,5-trihydroxybenzoate</td><td>198.174</td><td>3.42e+00 g/l</td><td>1.48</td><td>-1.76</td><td>InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3</td><td>CCOC(=O)C1=CC(O)=C(O)C(O)=C1</td><td>-5.548889272896792</td><td>8.11005930851721</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000306">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="307"><td></td><td><a href="/entries/PHUB000307">Galloyl glucose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000307</td><td>307</td><td>332.074346715</td><td>C<sub>13</sub>H<sub>16</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000307/image.svg" src="" /></td><td>KGHSLXLLBHRMML-PHSPRSPYSA-N</td><td></td><td>(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl 3,4,5-trihydroxybenzoate</td><td>332.261</td><td>2.02e+01 g/l</td><td>-0.71</td><td>-1.22</td><td>InChI=1S/C13H16O10/c1-21-12-9(18)8(17)10(19)13(23-12)22-11(20)4-2-5(14)7(16)6(15)3-4/h2-3,8-10,12-19H,1H3/t8-,9-,10+,12-,13?/m0/s1</td><td>CO[C@H]1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.712018334954593</td><td>8.082612240623572</td><td><a href="/food_sources/347">Pomegranate juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000307">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="308"><td></td><td><a href="/entries/PHUB000308">Gentisic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2,5-dihydroxybenzoic acid</td><td>PHUB000308</td><td>308</td><td>154.026608673</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>2,5-Dihydroxybenzoic acid; 5-Hydroxy-salicylic acid; hydroquinone carboxylic acid</td><td class="structure"><img data-src="/structures/PHUB000308/image.svg" src="" /></td><td>WXTMDXOMEHJXQO-UHFFFAOYSA-N</td><td>490-79-9</td><td>2,5-dihydroxybenzoic acid</td><td>154.121</td><td>1.23e+01 g/l</td><td>1.23</td><td>-1.10</td><td>InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)</td><td>OC(=O)C1=C(O)C=CC(O)=C1</td><td>-5.9344305698921325</td><td>2.528177670281407</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000308">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="309"><td></td><td><a href="/entries/PHUB000309">Guaiacol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000309</td><td>309</td><td>124.052429498</td><td>C<sub>7</sub>H<sub>8</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Methoxyphenol; Methylcatechol</td><td class="structure"><img data-src="/structures/PHUB000309/image.svg" src="" /></td><td>LHGVFZTZFXWLCP-UHFFFAOYSA-N</td><td></td><td>2-methoxyphenol</td><td>124.139</td><td>6.74e+01 g/l</td><td>1.32</td><td>-0.27</td><td>InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3</td><td>COC1=C(O)C=CC=C1</td><td>-4.8904950754181264</td><td>9.977540753803286</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000309">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="310"><td></td><td><a href="/entries/PHUB000310">Protocatechuic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4-dihydroxybenzoic acid </td><td>PHUB000310</td><td>310</td><td>154.026608673</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3,4-Dihydroxybenzoic acid</td><td class="structure"><img data-src="/structures/PHUB000310/image.svg" src="" /></td><td>YQUVCSBJEUQKSH-UHFFFAOYSA-N</td><td>99-50-3</td><td>3,4-dihydroxybenzoic acid</td><td>154.121</td><td>1.24e+01 g/l</td><td>1.32</td><td>-1.10</td><td>
8InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)</td><td>OC(=O)C1=CC(O)=C(O)C=C1</td><td>-6.341303650784173</td><td>4.160229176821464</td><td><a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/210">Date</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000310">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="311"><td></td><td><a href="/entries/PHUB000311">Protocatechuic acid 4-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000311</td><td>311</td><td>316.079432095</td><td>C<sub>13</sub>H<sub>16</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000311/image.svg" src="" /></td><td>HFFREILXLCWCQH-UHFFFAOYSA-N</td><td></td><td>3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid</td><td>316.262</td><td>1.67e+01 g/l</td><td>-0.94</td><td>-1.28</td><td>InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(12(19)20)3-6(7)15/h1-3,8-11,13-18H,4H2,(H,19,20)</td><td>OCC1OC(OC2=C(O)C=C(C=C2)C(O)=O)C(O)C(O)C1O</td><td>-2.9810923549038426</td><td>4.102108291318179</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000311">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="312"><td></td><td><a href="/entries/PHUB000312">Salicylic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000312</td><td>312</td><td>138.031694053</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Hydroxybenzoic acid; o-Hydroxybenzoic acid</td><td class="structure"><img data-src="/structures/PHUB000312/image.svg" src="" /></td><td>YGSDEFSMJLZEOE-UHFFFAOYSA-N</td><td></td><td>2-hydroxybenzoic acid</td><td>138.122</td><td>1.13e+01 g/l</td><td>1.96</td><td>-1.09</td><td>InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)</td><td>OC(=O)C1=C(O)C=CC=C1</td><td>-6.285929432184691</td><td>2.7897391795725692</td><td><a href="/food_sources/5">American cranberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000312">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="313"><td></td><td><a href="/entries/PHUB000313">Syringic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-3,5-dimethoxybenzoic acid</td><td>PHUB000313</td><td>313</td><td>198.052823422</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3,5-dimethoxy-4-hydroxybenzoic acid; 4-Hydroxy-3,5-dimethoxybenzoic acid; Cedar acid</td><td class="structure"><img data-src="/structures/PHUB000313/image.svg" src="" /></td><td>JMSVCTWVEWCHDZ-UHFFFAOYSA-N</td><td>530-57-4</td><td>4-hydroxy-3,5-dimethoxybenzoic acid</td><td>198.174</td><td>3.71e+00 g/l</td><td>1.55</td><td>-1.73</td><td>InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)</td><td>COC1=CC(=CC(OC)=C1O)C(O)=O</td><td>-4.61219102745602</td><td>3.931934806367758</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/210">Date</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/287">Whisky</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000313">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="314"><td></td><td><a href="/entries/PHUB000314">Theogallin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000314</td><td>314</td><td>344.074346715</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Galloylquinic acid; 5-O-Galloylquinic acid</td><td class="structure"><img data-src="/structures/PHUB000314/image.svg" src="" /></td><td>LDPLFHGGZNSKDS-FTBFGRRBSA-N</td><td></td><td>(1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid</td><td>344.272</td><td>1.28e+01 g/l</td><td>-0.40</td><td>-1.43</td><td>InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1</td><td>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1O)C(O)=O</td><td>-3.231824173783632</td><td>2.7240170878840297</td><td><a href="/food_sources/297">Black tea</a> / <a href="/food_sources/298">Green tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000314">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="315"><td></td><td><a href="/entries/PHUB000315">Valoneic acid dilactone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000315</td><td>315</td><td>470.012140382</td><td>C<sub>21</sub>H<sub>10</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000315/image.svg" src="" /></td><td>BPAOAXAAABIQKR-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-2-({7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl}oxy)benzoic acid</td><td>470.298</td><td>1.20e-01 g/l</td><td>2.61</td><td>-3.59</td><td>InChI=1S/C21H10O13/c22-7-2-6(19(28)29)16(15(27)12(7)24)32-9-3-5-11-10-4(20(30)34-18(11)14(9)26)1-8(23)13(25)17(10)33-21(5)31/h1-3,22-27H,(H,28,29)</td><td>OC(=O)C1=C(OC2=C(O)C3=C4C(=C2)C(=O)OC2=C(O)C(O)=CC(C(=O)O3)=C42)C(O)=C(O)C(O)=C1</td><td>-3.8240938774009288</td><td>3.445676093322535</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000315">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="316"><td></td><td><a href="/entries/PHUB000316">Vanillic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4-hydroxy-3-methoxybenzoic acid</td><td>PHUB000316</td><td>316</td><td>168.042258738</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3-Methoxy-4-hydroxybenzoic acid; 4-Hydroxy-3-methoxybenzoic acid; p-Vanillic acid</td><td class="structure"><img data-src="/structures/PHUB000316/image.svg" src="" /></td><td>WKOLLVMJNQIZCI-UHFFFAOYSA-N</td><td>121-34-6</td><td>4-hydroxy-3-methoxybenzoic acid</td><td>168.148</td><td>5.70e+00 g/l</td><td>1.70</td><td>-1.47</td><td>InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)</td><td>COC1=CC(=CC=C1O)C(O)=O</td><td>-4.901377890748089</td><td>4.155416072405769</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/210">Date</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/281">Vanilla</a> / <a href="/food_sources/287">Whisky</a> / <a href="/food_sources/294">White wine</a></td><td><a href="/entries/PHUB001294">Vanillic acid-4-O-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000316">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="317"><td></td><td><a href="/entries/PHUB000317">Viniferin (delta-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000317</td><td>317</td><td>454.141638428</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Maximol A; trans-Gamma-viniferin</td><td class="structure"><img data-src="/structures/PHUB000317/image.svg" src="" /></td><td>LILPTCHQLRKZNG-LPGNHZEISA-N</td><td></td><td>5-[(2S,3S)-5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol</td><td>454.478</td><td>2.10e-03 g/l</td><td>4.56</td><td>-5.34</td><td>InChI=1S/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+/t27-,28+/m0/s1</td><td>[H][C@@]1(OC2=C(C=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)[C@]1([H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1</td><td>-4.89016798744708</td><td>8.497816243447565</td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/341">rhubarb root</a></td><td><a href="/entries/PHUB001556">trans-δ-viniferin glucuronide</a> / <a href="/entries/PHUB001557">trans-δ-viniferin sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000317">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="318"><td></td><td><a href="/entries/PHUB000318">Viniferin (Epsilon-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000318</td><td>318</td><td>454.141638428</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Epsilon-viniferin; Viniferin (Epsilon-)</td><td class="structure"><img data-src="/structures/PHUB000318/image.svg" src="" /></td><td>FQWLMRXWKZGLFI-YVYUXZJTSA-N</td><td></td><td>5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol</td><td>454.478</td><td>2.39e-03 g/l</td><td>4.52</td><td>-5.28</td><td>InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1</td><td>OC1=CC=C(\C=C\C2=CC(O)=CC3=C2[C@H]([C@@H](O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1</td><td>-4.905960186217109</td><td>8.507385040783499</td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/341">rhubarb root</a> / <a href="/food_sources/295">Rosé wine</a> / <a href="/food_sources/294">White wine</a></td><td><a href="/entries/PHUB001555">ε-viniferin glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000318">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="319"><td></td><td><a href="/entries/PHUB000319">Pallidol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000319</td><td>319</td><td>454.141638428</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000319/image.svg" src="" /></td><td>YNVJOQCPHWKWSO-ZBVBGGFBSA-N</td><td></td><td>(1R,8R,9R,16R)-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol</td><td>454.478</td><td>5.64e-03 g/l</td><td>3.71</td><td>-4.91</td><td>
8InChI=1S/C28H22O6/c29-15-5-1-13(2-6-15)23-25-19(9-17(31)11-21(25)33)28-24(14-3-7-16(30)8-4-14)26-20(27(23)28)10-18(32)12-22(26)34/h1-12,23-24,27-34H/t23-,24-,27+,28+/m1/s1</td><td>[H][C@]12[C@@H](C3=C(O)C=C(O)C=C3[C@@]1([H])[C@@H](C1=C(O)C=C(O)C=C21)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1</td><td>-5.450553092421561</td><td>9.07366583123471</td><td><a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/341">rhubarb root</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000319">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="320"><td></td><td><a href="/entries/PHUB000320">Piceatannol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000320</td><td>320</td><td>244.073558866</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-hydroxyresveratol; 3,4,3',5'-Tetrahydroxystilbene; Astringinin</td><td class="structure"><img data-src="/structures/PHUB000320/image.svg" src="" /></td><td>CDRPUGZCRXZLFL-OWOJBTEDSA-N</td><td>10083-24-6</td><td>5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol</td><td>244.246</td><td>9.70e-02 g/l</td><td>2.12</td><td>-3.40</td><td>InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+</td><td> OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1</td><td>-6.17802613894337</td><td>8.405793112852761</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/302">Camomile tea</a> / <a href="/food_sources/300">Ceylon tea</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/308">Deerberry</a> / <a href="/food_sources/305">Dessert wine</a> / <a href="/food_sources/217">Garden rhubarb</a> / <a href="/food_sources/309">Grape juice</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/304">Peach juice</a> / <a href="/food_sources/296">Pomace</a> / <a href="/food_sources/310">Red champagne</a> / <a href="/food_sources/299">Red tea</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/306">Red wine grape</a> / <a href="/food_sources/400">rhubarb</a> / <a href="/food_sources/295">Rosé wine</a> / <a href="/food_sources/301">Tilia tea</a> / <a href="/food_sources/311">White champagne</a> / <a href="/food_sources/294">White wine</a> / <a href="/food_sources/307">White wine grape</a></td><td><a href="/entries/PHUB000328">Isorhapontigenin</a> / <a href="/entries/PHUB000327">Rhapontigenin</a> / <a href="/entries/PHUB001508">Piceatannol-diglucuronide</a> / <a href="/entries/PHUB001509">Piceatannol-glucuronide</a> / <a href="/entries/PHUB001511">O-methyl piceatannol-monoglucuronide</a> / <a href="/entries/PHUB001512">O-methyl piceatannol-monosulfate</a> / <a href="/entries/PHUB001541">piceatannol-sulfate</a> / <a href="/entries/PHUB001513">piceatannol-disulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000320">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="321"><td></td><td><a href="/entries/PHUB000321">Piceatannol 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000321</td><td>321</td><td>406.126382288</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Astringin; Astringinin 3-O-glucoside</td><td class="structure"><img data-src="/structures/PHUB000321/image.svg" src="" /></td><td>PERPNFLGJXUDDW-CUYWLFDKSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{3-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>406.387</td><td>7.35e-01 g/l</td><td>0.44</td><td>-2.74</td><td>InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC(O)=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343730565</td><td>8.492505059442484</td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/294">White wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000321">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="322"><td></td><td><a href="/entries/PHUB000322">Pinosylvin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000322</td><td>322</td><td>212.083729626</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-Dihydroxystilbene; Stilbene-3,5-diol</td><td class="structure"><img data-src="/structures/PHUB000322/image.svg" src="" /></td><td>YCVPRTHEGLPYPB-VOTSOKGWSA-N</td><td></td><td>5-[(1E)-2-phenylethenyl]benzene-1,3-diol</td><td>212.248</td><td>4.81e-02 g/l</td><td>3.28</td><td>-3.65</td><td>InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+</td><td>OC1=CC(\C=C\C2=CC=CC=C2)=CC(O)=C1</td><td>-6.178025722248195</td><td>8.657352552168394</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/110">Peanut</a></td><td><a href="/entries/PHUB001548">Pinosylvin-glucuronide</a> / <a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000335">Resveratrol (cis-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000322">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="323"><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000323</td><td>323</td><td>256.109944375</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-Dimethyl-resveratrol</td><td class="structure"><img data-src="/structures/PHUB000323/image.svg" src="" /></td><td>VLEUZFDZJKSGMX-ONEGZZNKSA-N</td><td></td><td>4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol</td><td>256.301</td><td>1.10e-02 g/l</td><td>3.48</td><td>-4.37</td><td>InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+</td><td>[H]\C(=C(\[H])C1=CC(OC)=CC(OC)=C1)C1=CC=C(O)C=C1</td><td>-4.537862421035583</td><td>8.996137408896729</td><td><a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/308">Deerberry</a> / <a href="/food_sources/309">Grape juice</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/310">Red champagne</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/311">White champagne</a> / <a href="/food_sources/294">White wine</a></td><td><a href="/entries/PHUB001514">Pterostilbene-glucuronide</a> / <a href="/entries/PHUB001515">Pterostilbene sulfate</a> / <a href="/entries/PHUB001516">Mono-demethylated pterostilbene</a> / <a href="/entries/PHUB001517">Mono-demethylated pterostilbene glucuronide</a> / <a href="/entries/PHUB001518">Mono-demethylated pterostilbene sulfate</a> / <a href="/entries/PHUB001519">Mono-hydroxylated pterostilbene</a> / <a href="/entries/PHUB001520">Mono-hydroxylated pterostilbene glucuronide</a> / <a href="/entries/PHUB001521">Mono-hydroxylated pterostilbene sulfate</a> / <a href="/entries/PHUB001522">Mono-hydroxylated pterostilbene glucuronide sulfate</a> / <a href="/entries/PHUB001523">Pinostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000323">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="324"><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000324</td><td>324</td><td>228.078644246</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(E)-resveratrol; 3,5,4'-Trihydroxystilbene</td><td class="structure"><img data-src="/structures/PHUB000324/image.svg" src="" /></td><td>LUKBXSAWLPMMSZ-OWOJBTEDSA-N</td><td></td><td>5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol</td><td>228.247</td><td>6.88e-02 g/l</td><td>2.57</td><td>-3.52</td><td>InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+</td><td>OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1</td><td>-6.178025720766968</td><td>8.493489164415605</td><td><a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/15">Bilberry</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/302">Camomile tea</a> / <a href="/food_sources/300">Ceylon tea</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/316">Cocoa liquor</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/318">Cranberry</a> / <a href="/food_sources/319">Cranberry juice</a> / <a href="/food_sources/308">Deerberry</a> / <a href="/food_sources/305">Dessert wine</a> / <a href="/food_sources/213">European cranberry</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/315">Itadori tea</a> / <a href="/food_sources/234">Lingonberry</a> / <a href="/food_sources/241">Mulberry</a> / <a href="/food_sources/321">Partridge berry</a> / <a href="/food_sources/304">Peach juice</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/296">Pomace</a> / <a href="/food_sources/310">Red champagne</a> / <a href="/food_sources/314">Red grape juice</a> / <a href="/food_sources/299">Red tea</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/306">Red wine grape</a> / <a href="/food_sources/295">Rosé wine</a> / <a href="/food_sources/320">Sparkleberry</a> / <a href="/food_sources/301">Tilia tea</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/313">White grape juice</a> / <a href="/food_sources/294">White wine</a> / <a href="/food_sources/307">White wine grape</a></td><td><a href="/entries/PHUB001411">trans-Resveratrol 3-O-glucuronide</a> / <a href="/entries/PHUB001412">trans-Resveratrol 3-O-sulfate</a> / <a href="/entries/PHUB001482">trans-resveratrol-5-O-glucuronide</a> / <a href="/entries/PHUB001483">trans-Resveratrol-4'-O-glucuronide</a> / <a href="/entries/PHUB001484">resveratrol-4â²-O-sulfate</a> / <a href="/entries/PHUB001485">resveratrol sulfoglucuronide</a> / <a href="/entries/PHUB001486">trans-Resveratrol-3,5-disulfate</a> / <a href="/entries/PHUB001487">trans-Resveratrol-3,4â²-disulfate</a> / <a href="/entries/PHUB001488">trans-Resveratrol-3,4â²,5-trisulfate</a> / <a href="/entries/PHUB001493">5-methoxyresveratrol-3-O-β-glucoside</a> / <a href="/entries/PHUB001494">5-methoxyresveratrol-3-O-sulfate</a> / <a href="/entries/PHUB001496">Resveratrol-glucoside-phosphate-glycerol</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a> / <a href="/entries/PHUB001497">Piceid-glucuronide</a> / <a href="/entries/PHUB001498">Piceid-sulfate</a> / <a href="/entries/PHUB001499">resveratrol-glucoside-phosphate</a> / <a href="/entries/PHUB001500">Lunularin</a> / <a href="/entries/PHUB001501">3,4'-dihydroxy-trans-stilbene</a> / <a href="/entries/PHUB000335">Resveratrol (cis-)</a> / <a href="/entries/PHUB001502">cis-Resveratrol-3-sulfate</a> / <a href="/entries/PHUB001503">cis-Resveratrol-4'-sulfate</a> / <a href="/entries/PHUB001504">cis-Resveratrol-3-O-glucuronide</a> / <a href="/entries/PHUB001505">cis-Resveratrol-4'-O-glucuronide</a> / <a href="/entries/PHUB001506">Resveratroloside</a> / <a href="/entries/PHUB000320">Piceatannol</a> / <a href="/entries/PHUB001489">Dihydro-resveratrol-trisulfate</a> / <a href="/entries/PHUB001544">trans-resveratrol-4'-O-β-sulfate</a> / <a href="/entries/PHUB001545">Resveratrol disulfate</a> / <a href="/entries/PHUB001490">Resveratrol ribosyl sulfate</a> / <a href="/entries/PHUB001546">resveratrol glucuronide</a> / <a href="/entries/PHUB001547">resveratrol sulfate</a> / <a href="/entries/PHUB001413">Dihydro-resveratrol-3-O-glucuronide</a> / <a href="/entries/PHUB001535">Dihydro-resveratrol-glucuronide</a> / <a href="/entries/PHUB001491">Dihydro-resveratrol-3,5-diglucuronide</a> / <a href="/entries/PHUB001534">Dihydro-resveratrol sulfate</a> / <a href="/entries/PHUB001492">Dihydro-resveratrol-sulfoglucuronide</a> / <a href="/entries/PHUB001323">Dihydro-resveratrol</a> / <a href="/entries/PHUB001495">Dihydro-resveratrol-disulfate</a> / <a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB001414">Dihydro-resveratrol-3-O-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000324">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="325"><td></td><td><a href="/entries/PHUB000325">Piceid (trans-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000325</td><td>325</td><td>390.131467668</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Polydatin; Resveratrol 3-O-glucoside</td><td class="structure"><img data-src="/structures/PHUB000325/image.svg" src="" /></td><td>HSTZMXCBWJGKHG-CUYWLFDKSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>390.388</td><td>7.66e-01 g/l</td><td>0.65</td><td>-2.71</td><td>InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343730565</td><td>8.602215116349766</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/316">Cocoa liquor</a> / <a href="/food_sources/217">Garden rhubarb</a> / <a href="/food_sources/315">Itadori tea</a> / <a href="/food_sources/317">Lentil coat</a> / <a href="/food_sources/234">Lingonberry</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/296">Pomace</a> / <a href="/food_sources/314">Red grape juice</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/295">Rosé wine</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/313">White grape juice</a> / <a href="/food_sources/294">White wine</a></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB001483">trans-Resveratrol-4'-O-glucuronide</a> / <a href="/entries/PHUB001481">resveratrol-3-O-glucuronide</a> / <a href="/entries/PHUB001482">trans-resveratrol-5-O-glucuronide</a> / <a href="/entries/PHUB001412">trans-Resveratrol 3-O-sulfate</a> / <a href="/entries/PHUB001533">resveratrol-sulfate</a> / <a href="/entries/PHUB001487">trans-Resveratrol-3,4â²-disulfate</a> / <a href="/entries/PHUB001486">trans-Resveratrol-3,5-disulfate</a> / <a href="/entries/PHUB001530">trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide</a> / <a href="/entries/PHUB001531">trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide</a> / <a href="/entries/PHUB001532">dihydro-piceid</a> / <a href="/entries/PHUB001323">Dihydro-resveratrol</a> / <a href="/entries/PHUB001534">Dihydro-resveratrol sulfate</a> / <a href="/entries/PHUB001498">Piceid-sulfate</a> / <a href="/entries/PHUB001497">Piceid-glucuronide</a> / <a href="/entries/PHUB000334">Piceid (cis-)</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a> / <a href="/entries/PHUB001411">trans-Resveratrol 3-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000325">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="326"><td></td><td><a href="/entries/PHUB000326">Resveratrol 5-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000326</td><td>326</td><td>390.131467668</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000326/image.svg" src="" /></td><td>HSTZMXCBWJGKHG-CUYWLFDKSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>390.388</td><td>7.66e-01 g/l</td><td>0.65</td><td>-2.71</td><td>InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343730565</td><td>8.602215116349766</td><td><a href="/food_sources/317">Lentil coat</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000326">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="327"><td></td><td><a href="/entries/PHUB000327">Rhapontigenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000327</td><td>327</td><td>258.089208931</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,3â²,5â²-Trihydroxy-4-methoxystilbene; RHA</td><td class="structure"><img data-src="/structures/PHUB000327/image.svg" src="" /></td><td>PHMHDRYYFAYWEG-NSCUHMNNSA-N</td><td>500-65-2</td><td>5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol</td><td>258.273</td><td>4.82e-02 g/l</td><td>2.64</td><td>-3.73</td><td>InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+</td><td>O(C1=C(O)C=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1)C</td><td>-4.888843867498496</td><td>8.575874343536256</td><td><a href="/food_sources/217">Garden rhubarb</a> / <a href="/food_sources/400">rhubarb</a></td><td><a href="/entries/PHUB001540">rhapontigenin glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000327">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="328"><td></td><td><a href="/entries/PHUB000328">Isorhapontigenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8PHUB000328</td><td>328</td><td>258.089208931</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4,3â²,5â²-Trihydroxy-3-methoxystilbene; ISOR</td><td class="structure"><img data-src="/structures/PHUB000328/image.svg" src="" /></td><td>ANNNBEZJTNCXHY-NSCUHMNNSA-N</td><td></td><td>5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol</td><td>258.273</td><td>4.66e-02 g/l</td><td>2.64</td><td>-3.74</td><td>InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+</td><td>COC1=C(O)C=CC(\C=C\C2=CC(O)=CC(O)=C2)=C1</td><td>-4.893862070232189</td><td>8.594213648115653</td><td><a href="/food_sources/217">Garden rhubarb</a> / <a href="/food_sources/76">Grape wine</a></td><td><a href="/entries/PHUB000328">Isorhapontigenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000328">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="329"><td></td><td><a href="/entries/PHUB000329">Viniferin 3',5'-diglucoside (Epsilon-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000329</td><td>329</td><td>778.247285272</td><td>C<sub>40</sub>H<sub>42</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000329/image.svg" src="" /></td><td>RPVPDEHWWUFGBW-DAFODLJHSA-N</td><td></td><td>2-{3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>778.76</td><td>1.51e-01 g/l</td><td>1.76</td><td>-3.71</td><td>InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1+</td><td>OCC1OC(OC2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C2C(OC3=CC(O)=CC(\C=C\C4=CC=C(O)C=C4)=C23)C2=CC=C(O)C=C2)C(O)C(O)C1O</td><td>-3.6483953457011924</td><td>8.607504231656836</td><td><a href="/food_sources/322">Riesling wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000329">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="330"><td></td><td><a href="/entries/PHUB000330">Pallidol 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000330</td><td>330</td><td>616.19446185</td><td>C<sub>34</sub>H<sub>32</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000330/image.svg" src="" /></td><td>LVYZAJNLNYSPIX-ARVGUIPYSA-N</td><td></td><td>2-(hydroxymethyl)-6-{[(1R,8R,9R,16R)-6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-2,4,6,10,12,14-hexaen-4-yl]oxy}oxane-3,4,5-triol</td><td>616.619</td><td>1.07e-01 g/l</td><td>2.55</td><td>-3.76</td><td>InChI=1S/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)26(15-3-7-17(37)8-4-15)29-20-9-18(38)10-22(39)27(20)25(30(21)29)14-1-5-16(36)6-2-14/h1-12,24-26,29-43H,13H2/t24?,25-,26-,29+,30+,31?,32?,33?,34?/m1/s1</td><td>[H][C@]12[C@@H](C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3[C@@]1([H])[C@@H](C1=C(O)C=C(O)C=C21)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1</td><td>-3.6483953457011933</td><td>9.142022780348515</td><td><a href="/food_sources/322">Riesling wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000330">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="331"><td></td><td><a href="/entries/PHUB000331">Pallidol 3, 3''-diglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000331</td><td>331</td><td>778.247285272</td><td>C<sub>40</sub>H<sub>42</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000331/image.svg" src="" /></td><td>BYOGHJOVDNNJNN-OGXFPDPYSA-N</td><td></td><td>2-{[(1R,8R,9R,16R)-6,14-dihydroxy-8,16-bis(4-hydroxyphenyl)-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-2,4,6,10,12,14-hexaen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>778.76</td><td>3.89e-01 g/l</td><td>1.52</td><td>-3.30</td><td>InChI=1S/C40H42O16/c41-13-25-33(47)35(49)37(51)39(55-25)53-19-9-21-29(23(45)11-19)27(15-1-5-17(43)6-2-15)31-22-10-20(54-40-38(52)36(50)34(48)26(14-42)56-40)12-24(46)30(22)28(32(21)31)16-3-7-18(44)8-4-16/h1-12,25-28,31-52H,13-14H2/t25?,26?,27-,28-,31+,32+,33?,34?,35?,36?,37?,38?,39?,40?/m1/s1</td><td>[H][C@]12[C@@H](C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3[C@@]1([H])[C@@H](C1=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C21)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1</td><td>-3.6789465892551747</td><td>9.223314669730149</td><td><a href="/food_sources/322">Riesling wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000331">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="332"><td></td><td><a href="/entries/PHUB000332">2,4,6-Trihydroxyphenanthrene 2-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000332</td><td>332</td><td>388.115817604</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000332/image.svg" src="" /></td><td>OLRKGPYAYTYJGF-UHFFFAOYSA-N</td><td></td><td>2-[(4,6-dihydroxyphenanthren-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>388.372</td><td>1.15e+00 g/l</td><td>0.70</td><td>-2.53</td><td>InChI=1S/C20H20O8/c21-8-15-17(24)18(25)19(26)20(28-15)27-12-5-10-2-1-9-3-4-11(22)6-13(9)16(10)14(23)7-12/h1-7,15,17-26H,8H2</td><td>OCC1OC(OC2=CC(O)=C3C(C=CC4=CC=C(O)C=C34)=C2)C(O)C(O)C1O</td><td>-2.9810923437305883</td><td>8.789112236675868</td><td><a href="/food_sources/322">Riesling wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000332">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="333"><td></td><td><a href="/entries/PHUB000333">Oxyresveratrol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000333</td><td>333</td><td>244.073558866</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,3',4,5'-Tetrahydroxy-trans-stilbene</td><td class="structure"><img data-src="/structures/PHUB000333/image.svg" src="" /></td><td>PDHAOJSHSJQANO-OWOJBTEDSA-N</td><td></td><td>4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol</td><td>244.246</td><td>
81.02e-01 g/l</td><td>2.06</td><td>-3.38</td><td>InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+</td><td>[H]\C(=C(\[H])C1=C(O)C=C(O)C=C1)C1=CC(O)=CC(O)=C1</td><td>-5.7478494586702435</td><td>8.46626008517966</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/227">Jackfruit</a> / <a href="/food_sources/241">Mulberry</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/295">Rosé wine</a> / <a href="/food_sources/312">White mulberry</a> / <a href="/food_sources/294">White wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000333">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="334"><td></td><td><a href="/entries/PHUB000334">Piceid (cis-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000334</td><td>334</td><td>390.131467668</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cis-resveratrol 3-beta-glucoside; Z-PICEID</td><td class="structure"><img data-src="/structures/PHUB000334/image.svg" src="" /></td><td>HSTZMXCBWJGKHG-MWQIQHPGSA-N</td><td></td><td>(2S,4S,5S)-2-{3-hydroxy-5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>390.388</td><td>7.66e-01 g/l</td><td>0.65</td><td>-2.71</td><td>InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1-/t16?,17-,18+,19?,20-/m1/s1</td><td>[H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1</td><td>-2.981092343730565</td><td>9.101978168495853</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/234">Lingonberry</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/314">Red grape juice</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/295">Rosé wine</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/313">White grape juice</a> / <a href="/food_sources/294">White wine</a></td><td><a href="/entries/PHUB000335">Resveratrol (cis-)</a> / <a href="/entries/PHUB000334">Piceid (cis-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000334">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="335"><td></td><td><a href="/entries/PHUB000335">Resveratrol (cis-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000335</td><td>335</td><td>228.078644246</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Z)-resveratrol; cis-3,4',5-trihydroxystilbene</td><td class="structure"><img data-src="/structures/PHUB000335/image.svg" src="" /></td><td>LUKBXSAWLPMMSZ-UPHRSURJSA-N</td><td></td><td>5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol</td><td>228.247</td><td>6.88e-02 g/l</td><td>2.57</td><td>-3.52</td><td>InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-</td><td>[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1</td><td>-5.678025720766968</td><td>8.993489164415603</td><td><a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/302">Camomile tea</a> / <a href="/food_sources/300">Ceylon tea</a> / <a href="/food_sources/318">Cranberry</a> / <a href="/food_sources/319">Cranberry juice</a> / <a href="/food_sources/305">Dessert wine</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/304">Peach juice</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/314">Red grape juice</a> / <a href="/food_sources/299">Red tea</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/306">Red wine grape</a> / <a href="/food_sources/295">Rosé wine</a> / <a href="/food_sources/301">Tilia tea</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/313">White grape juice</a> / <a href="/food_sources/294">White wine</a> / <a href="/food_sources/307">White wine grape</a></td><td><a href="/entries/PHUB000334">Piceid (cis-)</a> / <a href="/entries/PHUB001504">cis-Resveratrol-3-O-glucuronide</a> / <a href="/entries/PHUB000335">Resveratrol (cis-)</a> / <a href="/entries/PHUB001505">cis-Resveratrol-4'-O-glucuronide</a> / <a href="/entries/PHUB001502">cis-Resveratrol-3-sulfate</a> / <a href="/entries/PHUB001503">cis-Resveratrol-4'-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000335">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="336"><td></td><td><a href="/entries/PHUB000336">Oxyresveratrol (cis-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000336</td><td>336</td><td>244.073558866</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cis-Oxyresveratrol</td><td class="structure"><img data-src="/structures/PHUB000336/image.svg" src="" /></td><td>PDHAOJSHSJQANO-UPHRSURJSA-N</td><td></td><td>4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol</td><td>244.246</td><td>1.02e-01 g/l</td><td>2.06</td><td>-3.38</td><td>InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1-</td><td>[H]\C(=C(/[H])C1=CC=C(O)C=C1O)C1=CC(O)=CC(O)=C1</td><td>-5.6447396941481</td><td>8.848038163928706</td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/295">Rosé wine</a> / <a href="/food_sources/294">White wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000336">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="337"><td></td><td><a href="/entries/PHUB000337">Piceatannol (cis-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000337</td><td>337</td><td>244.073558866</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000337/image.svg" src="" /></td><td>CDRPUGZCRXZLFL-UPHRSURJSA-N</td><td></td><td>4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol</td><td>244.246</td><td>9.70e-02 g/l</td><td>2.12</td><td>-3.40</td><td>InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1-</td><td>[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C(O)=C1</td><td>-5.67802613894337</td><td>8.905793112852761</td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/295">Rosé wine</a> / <a href="/food_sources/294">White wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000337">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="338"><td></td><td><a href="/entries/PHUB000338">Viniferin (cis-Epsilon-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000338</td><td>338</td><td>454.141638428</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(-)-epsilon-Viniferin; Iso-[epsilon]-viniferin</td><td class="structure"><img data-src="/structures/PHUB000338/image.svg" src="" /></td><td>FQWLMRXWKZGLFI-HQAJZZHBSA-N</td><td></td><td>5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol</td><td>454.478</td><td>2.39e-03 g/l</td><td>4.52</td><td>-5.28</td><td>InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1-/t27-,28+/m1/s1</td><td>OC1=CC=C(\C=C/C2=C3[C@H]([C@@H](OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1</td><td>-4.905960186217036</td><td>8.781727413567006</td><td><a href="/food_sources/293">Red wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000338">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="339"><td></td><td><a href="/entries/PHUB000339">Resveratrol 4'-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000339</td><td>339</td><td>390.131467668</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000339/image.svg" src="" /></td><td>RUOKEYJFAJITAG-QBPIKYQOSA-N</td><td></td><td>(2S,4S,6R)-2-{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>390.388</td><td>6.64e-01 g/l</td><td>0.69</td><td>-2.77</td><td>InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12/h1-9,16-26H,10H2/b2-1+/t16-,17?,18+,19?,20-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C(O)[C@@H](O)C1O</td><td>-2.981092343686506</td><td>8.657231291203523</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000339">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="340"><td></td><td><a href="/entries/PHUB000340">Viniferin-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000340</td><td>340</td><td>678.188982546</td><td>C<sub>42</sub>H<sub>30</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000340/image.svg" src="" /></td><td>KUTVNHOAKHJJFL-ZSIJVUTGSA-N</td><td></td><td>(2R,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1^{2,5}.1^{10,13}.0^{21,25}.0^{9,27}.0^{17,26}]heptacosa-1(24),5(27),6,8,13(26),14,16,21(25),22-nonaene-7,15,23-triol</td><td>678.693</td><td>2.36e-03 g/l</td><td>5.91</td><td>-5.46</td><td>InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1</td><td>[H][C@]12[C@@H](OC3=C1C(=CC(O)=C3)[C@]1([H])[C@H](OC3=C1C(=CC(O)=C3)[C@@]1([H])[C@@H](OC3=C1C2=CC(O)=C3)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1</td><td>-4.603864783481487</td><td>8.694048875370495</td><td><a href="/food_sources/322">Riesling wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000340">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="341"><td></td><td><a href="/entries/PHUB000341">Parthenocissin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000341</td><td>341</td><td>454.141638428</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000341/image.svg" src="" /></td><td>BIQMSWPBPAKGSE-RVMRZQENSA-N</td><td></td><td>(1Z,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol</td><td>454.478</td><td>3.36e-03 g/l</td><td>4.08</td><td>-5.13</td><td>InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9+/t26-,27+/m1/s1</td><td>OC1=CC=C(\C=C2\[C@H]([C@@H](C3=C2C=C(O)C=C3O)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1</td><td>-5.463678680399909</td><td>8.788445745473323</td><td><a href="/food_sources/293">Red wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000341">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="342"><td></td><td><a href="/entries/PHUB000342">Miyabenol C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000342</td><td>342</td><td>680.20463261</td><td>C<sub>42</sub>H<sub>32</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000342/image.svg" src="" /></td><td>RKFYYCKIHVEWHX-ZSIDMBOMSA-N</td><td></td><td>5-{6-hydroxy-4-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol</td><td>680.709</td><td>1.10e-03 g/l</td><td>5.95</td><td>-5.79</td><td>InChI=1S/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/b4-1+/t38?,40-,41?,42+/m0/s1</td><td>OC1=CC=C(\C=C\C2=C3[C@@H]([C@H](OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=C3C(C(OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1</td><td>-4.904847081821337</td><td>8.42129146856062</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000342">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="343"><td></td><td><a href="/entries/PHUB000343">Antheraxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(3S,5R,6S,3âR)-5,6-Epoxy-dihydro-β,β-carotene-3,3â-diol</td><td>PHUB000343</td><td>343</td><td>584.422945663</td><td>C<sub>40</sub>H<sub>56</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Antheraxanthin A</td><td class="structure"><img data-src="/structures/PHUB000343/image.svg" src="" /></td><td>OFNSUWBAQRCHAV-OYQUVCAXSA-N</td><td>640-03-9</td><td></td><td>584.885</td><td></td><td></td><td></td><td>InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1</td><td>C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C</td><td></td><td></td><td><a href="/food_sources/3">Algae</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/105">Paprika</a> / <a href="/food_sources/159">Persimmon</a></td><td><a href="/entries/PHUB000343">Antheraxanthin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000343">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="344"><td></td><td><a href="/entries/PHUB000344">Astaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(3S,3'S)-3,3'-dihydroxy-β,β-carotene-4,4'-dione</td><td>PHUB000344</td><td>344</td><td>596.386560154</td><td>C<sub>40</sub>H<sub>52</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3S,3'S)-Astaxanthin</td><td class="structure"><img data-src="/structures/PHUB000344/image.svg" src="" /></td><td>MQZIGYBFDRPAKN-UWFIBFSHSA-N</td><td>472-61-7</td><td>(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one</td><td>596.852</td><td>6.67e-04 g/l</td><td>7.40</td><td>-5.95</td><td>InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22
8-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1</td><td>C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C</td><td>-3.5105688194131655</td><td>13.071697897767281</td><td><a href="/food_sources/55">Crustaceans</a> / <a href="/food_sources/119">Pink salmon</a></td><td><a href="/entries/PHUB000344">Astaxanthin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000344">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="345"><td></td><td><a href="/entries/PHUB000345">Canthaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>β,β-Carotene-4,4'-dione</td><td>PHUB000345</td><td>345</td><td>564.396730914</td><td>C<sub>40</sub>H<sub>52</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000345/image.svg" src="" /></td><td>FDSDTBUPSURDBL-DKLMTRRASA-N</td><td>514-78-3</td><td></td><td>564.854</td><td></td><td></td><td></td><td>InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+</td><td>C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C</td><td></td><td></td><td><a href="/food_sources/3">Algae</a> / <a href="/food_sources/44">Common mushroom</a> / <a href="/food_sources/60">Egg yolk</a></td><td><a href="/entries/PHUB000345">Canthaxanthin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000345">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="346"><td></td><td><a href="/entries/PHUB000346">Capsanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(3R,3'S,5'R)-3,3'-Dihydroxy-beta,kappa-caroten-6'-one</td><td>PHUB000346</td><td>346</td><td>584.422945663</td><td>C<sub>40</sub>H<sub>56</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000346/image.svg" src="" /></td><td>VYIRVAXUEZSDNC-RDJLEWNRSA-N</td><td>465-42-9</td><td></td><td>584.885</td><td></td><td></td><td></td><td>InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1</td><td>C\C(\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C</td><td></td><td></td><td><a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/105">Paprika</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000346">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="347"><td></td><td><a href="/entries/PHUB000347">Capsorubin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td> (3S,5R,3'S,5'R)-3,3'-Dihydroxy-kappa,kappa-carotene-6,6'-dione</td><td>PHUB000347</td><td>347</td><td>600.417860283</td><td>C<sub>40</sub>H<sub>56</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Carotenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000347/image.svg" src="" /></td><td>GVOIABOMXKDDGU-YUURSNASSA-N</td><td>470-38-2</td><td></td><td>600.884</td><td></td><td></td><td></td><td>InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1</td><td>C\C(\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C</td><td></td><td></td><td><a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/105">Paprika</a></td><td><a href="/entries/PHUB000347">Capsorubin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000347">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="349"><td></td><td><a href="/entries/PHUB000349">α-carotene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(6'R)-beta,epsilon-Carotene</td><td>PHUB000349</td><td>349</td><td>536.438201803</td><td>C<sub>40</sub>H<sub>56</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(6'R)-β,ε-Carotene; alpha-carotene; Carotene ((6'R)-beta,epsilon-); β,ε-carotene</td><td class="structure"><img data-src="/structures/PHUB000349/image.svg" src="" /></td><td>ANVAOWXLWRTKGA-JLTXGRSLSA-N</td><td>432-70-2</td><td></td><td>536.888</td><td></td><td></td><td></td><td>InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+</td><td>C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C</td><td></td><td></td><td><a href="/food_sources/10">Avocado</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/184">Butternut squash</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/215">Plantain</a> / <a href="/food_sources/125">Pumpkin</a> / <a href="/food_sources/429">Red palm oil</a> / <a href="/food_sources/132">Rocket salad</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000349">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="350"><td></td><td><a href="/entries/PHUB000350">β-Carotene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>beta-Carotene</td><td>PHUB000350</td><td>350</td><td>536.438201803</td><td>C<sub>40</sub>H<sub>56</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>beta-Carotene; Carotene</td><td class="structure"><img data-src="/structures/PHUB000350/image.svg" src="" /></td><td>OENHQHLEOONYIE-JLTXGRSLSA-N</td><td>7235-40-7</td><td></td><td>536.888</td><td></td><td></td><td></td><td>beta,beta-Carotene</td><td>C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C</td><td></td><td></td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/9">Asparagus</a> / <a href="/food_sources/10">Avocado</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/184">Butternut squash</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/63">Endive</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/69">Garden cress</a> / <a href="/food_sources/78">Green bean</a> / <a href="/food_sources/128">Hot chili (Capsicum annuum, C. frutescens)</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/86">Leek</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/95">Mango</a> / <a href="/food_sources/98">Nectarine</a> / <a href="/food_sources/104">Papaya</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/125">Pumpkin</a> / <a href="/food_sources/132">Rocket salad</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/150">Sweet potato</a> / <a href="/food_sources/273">Swiss chard</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/154">Watermelon</a></td><td><a href="/entries/PHUB001886">Retinal</a> / <a href="/entries/PHUB003044">13-apo-β-carotenone</a> / <a href="/entries/PHUB000350">β-Carotene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000350">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="351"><td></td><td><a href="/entries/PHUB000351">γ-Carotene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>beta,psi-Carotene</td><td>PHUB000351</td><td>351</td><td>536.438201803</td><td>C<sub>40</sub>H<sub>56</sub></td><td>Terpenoids</td><td>Carotenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Carotene-gamma; gamma-Carotene</td><td class="structure"><img data-src="/structures/PHUB000351/image.svg" src="" /></td><td>HRQKOYFGHJYEFS-BXOLYSJBSA-N</td><td>472-93-5</td><td>2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,3,3-trimethylcyclohex-1-ene</td><td>536.888</td><td>3.77e-04 g/l</td><td>9.59</td><td>-6.15</td><td>InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+</td><td>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C</td><td></td><td></td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/47">Common persimmon</a> / <a href="/food_sources/429">Red palm oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000351">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="352"><td></td><td><a href="/entries/PHUB000352">ζ-Carotene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>7,8,7',8'-Tetrahydro-psi,psi-carotene</td><td>PHUB000352</td><td>352</td><td>540.469501932</td><td>C<sub>40</sub>H<sub>60</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7,8,7â,8â-Tetrahydro-Ï,Ï-carotene; all-trans-zeta-carotene; zeta-Carotene</td><td class="structure"><img data-src="/structures/PHUB000352/image.svg" src="" /></td><td>BIWLELKAFXRPDE-WTXAYMOSSA-N</td><td>72746-33-9</td><td>(6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene</td><td>540.92</td><td>3.37e-04 g/l</td><td>9.38</td><td>-6.21</td><td>InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+</td><td>CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/108">Passion fruit</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000352">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="353"><td></td><td><a href="/entries/PHUB000353">Crocetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>8,8'-Diapocarotene-8,8'-dioic acid</td><td>PHUB000353</td><td>353</td><td>328.167459253</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>alpha-Crocetin; α-Crocetin</td><td class="structure"><img data-src="/structures/PHUB000353/image.svg" src="" /></td><td>PANKHBYNKQNAHN-MQQNZMFNSA-N</td><td>27876-94-4</td><td>(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid</td><td>328.408</td><td>5.58e-03 g/l</td><td>4.54</td><td>-4.77</td><td>
8InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+</td><td>C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O</td><td></td><td>4.405565118834184</td><td><a href="/food_sources/136">Saffron</a></td><td><a href="/entries/PHUB000353">Crocetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000353">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="354"><td></td><td><a href="/entries/PHUB000354">Crocin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Digentiobiosyl-8,8'-diapocarotene-8,8'-dioate</td><td>PHUB000354</td><td>354</td><td>976.378752941</td><td>C<sub>44</sub>H<sub>64</sub>O<sub>24</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Crocetin digentiobioside; Crocin 1; Crocin A; Crocin-alpha</td><td class="structure"><img data-src="/structures/PHUB000354/image.svg" src="" /></td><td>SEBIKDIMAPSUBY-RTJKDTQDSA-N</td><td>42553-65-1</td><td></td><td>976.972</td><td></td><td></td><td></td><td>InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1</td><td>C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O</td><td></td><td></td><td><a href="/food_sources/136">Saffron</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000354">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="355"><td></td><td><a href="/entries/PHUB000355">α-Cryptoxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3'R,6'R)-beta,epsilon-Caroten-3'-ol</td><td>PHUB000355</td><td>355</td><td>552.433116423</td><td>C<sub>40</sub>H<sub>56</sub>O</td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3'R,6'R)-β,ε-Caroten-3'-ol; alpha-Cryptoxanthin; Cryptoxanthin-alpha</td><td class="structure"><img data-src="/structures/PHUB000355/image.svg" src="" /></td><td>ORAKUVXRZWMARG-XBBNTEQGSA-N</td><td>24480-38-4</td><td>(1R,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol</td><td>552.887</td><td>5.14e-04 g/l</td><td>9.10</td><td>-6.03</td><td>InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1</td><td>C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C</td><td>-1.3915650785380587</td><td>18.21727233987641</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/53">Corn</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000355">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="356"><td></td><td><a href="/entries/PHUB000356">β-Cryptoxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3R)-beta,beta-Caroten-3-ol</td><td>PHUB000356</td><td>356</td><td>552.433116423</td><td>C<sub>40</sub>H<sub>56</sub>
8O</td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>beta-Cryptoxanthin; Caricaxanthin; Cryptoxanthin-beta; Cryptoxanthol</td><td class="structure"><img data-src="/structures/PHUB000356/image.svg" src="" /></td><td>DMASLKHVQRHNES-FKKUPVFPSA-N</td><td>472-70-8</td><td>(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol</td><td>552.887</td><td>5.03e-04 g/l</td><td>9.08</td><td>-6.04</td><td>InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1</td><td>C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C</td><td>-1.089784856860705</td><td>18.907213404525137</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/95">Mango</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/104">Papaya</a> / <a href="/food_sources/149">Sweet orange</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000356">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="357"><td></td><td><a href="/entries/PHUB000357">Echinenone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>β,β-Caroten-4-one</td><td>PHUB000357</td><td>357</td><td>550.417466359</td><td>C<sub>40</sub>H<sub>54</sub>O</td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Myxoxanthine; β-Carotene-4-one; β-Echinenone</td><td class="structure"><img data-src="/structures/PHUB000357/image.svg" src="" /></td><td>QXNWZXMBUKUYMD-QQGJMDNJSA-N</td><td>432-68-8</td><td>2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one</td><td>550.871</td><td>4.61e-04 g/l</td><td>9.22</td><td>-6.08</td><td>InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+</td><td>C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C</td><td>-4.751393805702507</td><td></td><td><a href="/food_sources/3">Algae</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000357">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="359"><td></td><td><a href="/entries/PHUB000359">Fucoxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000359</td><td>359</td><td>658.423339588</td><td>C<sub>42</sub>H<sub>58</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000359/image.svg" src="" /></td><td>SJWWTRQNNRNTPU-XJUZQKKNSA-N</td><td>3351-86-8</td><td>(1S,3R)-3-hydroxy-4-[(1M,3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate</td><td>658.92</td><td>5.75e-04 g/l</td><td>7.54</td><td>-6.06</td><td>(3S,5R,6S,3'S,5'R,6'R)-5,6-Epoxy-3'-ethanoyloxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one</td><td>[H]C(=[C@@]=C1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(C)=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C</td><td>-2.737175756069491</td><td>14.037805745956275</td><td><a href="/food_sources/3">Algae</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000359">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="361"><td></td><td><a href="/entries/PHUB000361">Lutein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000361</td><td>361</td><td>568.428031043</td><td>C<sub>40</sub>H<sub>56</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL; Xanthophyll; β,ε-Carotene-3,3'-diol</td><td class="structure"><img data-src="/structures/PHUB000361/image.svg" src="" /></td><td>KBPHJBAIARWVSC-RTIVXWJOSA-N</td><td>127-40-2</td><td>(4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-ol</td><td>568.886</td><td>7.32e-04 g/l</td><td>8.29</td><td>-5.89</td><td>InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35?,36-,37+/m1/s1</td><td>C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C</td><td>-0.9139435291721482</td><td>18.21727233987641</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/10">Avocado</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/56">Cucumber</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/60">Egg yolk</a> / <a href="/food_sources/63">Endive</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/69">Garden cress</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/86">Leek</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/104">Papaya</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/125">Pumpkin</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/152">Vaccinium (Blueberry, Cranberry, Huckleberry)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000361">Show Entry</a></td></tr><tr data-biomarker="biomarker" data-kind="precursor" id="363"><td></td><td><a href="/entries/PHUB000363">Lycopene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="biomarker" class="label-biomarker"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000363</td><td>363</td><td>536.438201803</td><td>C<sub>40</sub>H<sub>56</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>all-trans lycopene</td><td class="structure"><img data-src="/structures/PHUB000363/image.svg" src="" /></td><td>OAIJSZIZWZSQBC-BOJOQWLHSA-N</td><td></td><td>(6E,8E,10E,12E,14Z,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene</td><td>536.888</td><td>3.97e-04 g/l</td><td>9.16</td><td>-6.13</td><td>InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11-,25-15+,26-16+,31-17+,32-18+,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+</td><td>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/32">Cherry tomato</a>
8 / <a href="/food_sources/67">Fig</a> / <a href="/food_sources/80">Guava</a> / <a href="/food_sources/84">Ketchup</a> / <a href="/food_sources/95">Mango</a> / <a href="/food_sources/104">Papaya</a> / <a href="/food_sources/159">Persimmon</a> / <a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/125">Pumpkin</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/392">tomato sauce</a> / <a href="/food_sources/154">Watermelon</a></td><td></td><td>Tomato</td><td class="shower"><a class="btn-show" href="/entries/PHUB000363">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="366"><td></td><td><a href="/entries/PHUB000366">Neoxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(9'Z)-Neoxanthin</td><td>PHUB000366</td><td>366</td><td>600.417860283</td><td>C<sub>40</sub>H<sub>56</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>9'-cis-neoxanthin</td><td class="structure"><img data-src="/structures/PHUB000366/image.svg" src="" /></td><td>PGYAYSRVSAJXTE-OQASCVKESA-N</td><td>14660-91-4</td><td></td><td>600.884</td><td></td><td></td><td></td><td>InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1</td><td>[H]C(=[C@@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C</td><td></td><td></td><td><a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/54">Corn salad</a> / <a href="/food_sources/63">Endive</a> / <a href="/food_sources/86">Leek</a> / <a href="/food_sources/132">Rocket salad</a> / <a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000366">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="368"><td></td><td><a href="/entries/PHUB000368">Rubixanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3R)-β,Ï-Caroten-3-ol</td><td>PHUB000368</td><td>368</td><td>552.433116423</td><td>C<sub>40</sub>H<sub>56</sub>O</td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>carotene (3-hydroxy-gamma-); E 161d</td><td class="structure"><img data-src="/structures/PHUB000368/image.svg" src="" /></td><td>ABTRFGSPYXCGMR-AXXBKCDFSA-N</td><td>3763-55-1</td><td>(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol</td><td>552.887</td><td>5.23e-04 g/l</td><td>8.92</td><td>-6.02</td><td>InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1</td><td>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C</td><td>-1.089784856860705</td><td>18.907213404525137</td><td><a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/259">Rose hip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000368">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="369"><td></td><td><a href="/entries/PHUB000369">Violaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3S,5R,6S,3'S,5'R,6'S)-5,6:5',6'-Diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-diol</td><td>PHUB000369</td><td>369</td><td>600.417860283</td><td>C<sub>40</sub>H<sub>56</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Carotenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Zeaxanthin diepoxide</td><td class="structure"><img data-src="/structures/PHUB000369/image.svg" src="" /></td><td>SZCBXWMUOPQSOX-WVJDLNGLSA-N</td><td>126-29-4</td><td></td><td>600.884</td><td></td><td></td><td></td><td>InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1</td><td>C\C(\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C</td><td></td><td></td><td><a href="/food_sources/3">Algae</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/54">Corn salad</a> / <a href="/food_sources/63">Endive</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/86">Leek</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/95">Mango</a> / <a href="/food_sources/105">Paprika</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/132">Rocket salad</a> / <a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000369">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="370"><td></td><td><a href="/entries/PHUB000370">Zeaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000370</td><td>370</td><td>568.428031043</td><td>C<sub>40</sub>H<sub>56</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3R,3'R)-dihydroxy-β,β-carotene; (3R,3'R)-β,β-carotene-3,3'-diol; anchovyxanthin; β,β-carotene-3,3'-diol</td><td class="structure"><img data-src="/structures/PHUB000370/image.svg" src="" /></td><td>JKQXZKUSFCKOGQ-PWPFSTEPSA-N</td><td>144-68-3</td><td>(1R)-4-[(1E,3E,5E,7E,9Z,11Z,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol</td><td>568.886</td><td>6.49e-04 g/l</td><td>8.30</td><td>-5.94</td><td>InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19+,32-20+/t35-,36-/m1/s1</td><td>C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C</td><td>-0.7887548611967237</td><td>18.907213404525137</td><td><a href="/food_sources/3">Algae</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/10">Avocado</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000370">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="371"><td></td><td><a href="/entries/PHUB000371">6-Geranylnaringenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000371</td><td>371</td><td>408.193674002</td><td>C<sub>25</sub>H<sub>28</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,7,4'-Trihydroxy-6-geranylflavanone; Bonannione A; Mimulone</td><td class="structure"><img data-src="/structures/PHUB000371/image.svg" src="" /></td><td>XYIQIBWIEGCVQY-FRKPEAEDSA-N</td><td></td><td>6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>408.494</td><td>3.39e-03 g/l</td><td>4.84</td><td>-5.08</td><td>InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+</td><td>CC(C)=CCC\C(C)=C\CC1=C(O)C2=C(OC(CC2=O)C2=CC=C(O)C=C2)C=C1O</td><td>-4.950586507709227</td><td>7.674424725599705</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000371">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="372"><td></td><td><a href="/entries/PHUB000372">6-Prenylnaringenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000372</td><td>372</td><td>340.131073744</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,7,4'-Trihydroxy-6-prenylflavanone</td><td class="structure"><img data-src="/structures/PHUB000372/image.svg" src="" /></td><td>YHWNASRGLKJRJJ-UHFFFAOYSA-N</td><td>68236-13-5</td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>340.375</td><td>1.53e-02 g/l</td><td>3.17</td><td>-4.35</td><td>InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3</td><td>CC(C)=CCC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1</td><td>-4.950586506821382</td><td>7.674426236151494</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000372">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="373"><td></td><td><a href="/entries/PHUB000373">8-Prenylnaringenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000373</td><td>373</td><td>340.131073744</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,7,4'-Trihydroxy-8-prenylflavanone; Isobavachin</td><td class="structure"><img data-src="/structures/PHUB000373/image.svg" src="" /></td><td>LPEPZZAVFJPLNZ-SFHVURJKSA-N</td><td></td><td>(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>340.375</td><td>1.55e-02 g/l</td><td>3.23</td><td>-4.34</td><td>InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1</td><td>CC(C)=CCC1=C2O[C@@H](CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1</td><td>-4.960717116113241</td><td>7.690620154617847</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000373">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="374"><td></td><td><a href="/entries/PHUB000374">6,8-Diprenylnaringenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000374</td><td>374</td><td>408.193674002</td><td>C<sub>25</sub>H<sub>28</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Lonchocarpol A; Senegalensein</td><td class="structure"><img data-src="/structures/PHUB000374/image.svg" src="" /></td><td>HCNLDGTUMBOHKT-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>408.494</td><td>5.75e-03 g/l</td><td>4.50</td><td>-4.85</td><td>InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3</td><td>CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=C(O)C=C2)C(CC=C(C)C)=C1O</td><td>-4.961077727446398</td><td>7.50827130496677</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000374">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="375"><td></td><td><a href="/entries/PHUB000375">Betagarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000375</td><td>375</td><td>328.094688235</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000375/image.svg" src="" /></td><td>IHPVFYLOGNNZLA-ZDUSSCGKSA-N</td><td></td><td>(11S)-2-methoxy-11-(2-methoxyphenyl)-4,6,10-trioxatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),8-trien-13-one</td><td>328.32</td><td>4.62e-02 g/l</td><td>2.20</td><td>-3.85</td><td>InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3/t13-/m0/s1</td><td>COC1=CC=CC=C1[C@@H]1CC(=O)C2=C(OC)C3=C(OCO3)C=C2O1</td><td>-4.276820265951191</td><td>15.009771231210175</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000375">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="376"><td></td><td><a href="/entries/PHUB000376">Didymin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000376</td><td>376</td><td>594.194855775</td><td>C<sub>28</sub>H<sub>34</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Isosakuranetin 7-rutinoside</td><td class="structure"><img data-src="/structures/PHUB000376/image.svg" src="" /></td><td>RMCRQBAILCLJGU-SMCKTMTRSA-N</td><td></td><td>5-hydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>594.566</td><td>2.01e+00 g/l</td><td>-0.11</td><td>-2.47</td><td>InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1</td><td>COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1</td><td>-3.612182351683661</td><td>8.638830526896756</td><td><a href="/food_sources/103">Orange juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000376">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="377"><td></td><td><a href="/entries/PHUB000377">Eriocitrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000377</td><td>377</td><td>596.17412033</td><td>C<sub>27</sub>H<sub>32</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Eriodictyol 7-O-rutinoside</td><td class="structure"><img data-src="/structures/PHUB000377/image.svg" src="" /></td><td>OMQADRGFMLGFJF-GDRLQRQZSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>596.538</td><td>3.53e+00 g/l</td><td>-0.35</td><td>-2.23</td><td>InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6486859942971166</td><td>8.536076051024976</td><td><a href="/food_sources/87">Lemon</a> / <a href="/food_sources/91">Lime</a></td><td><a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001076">Dihydrocaffeic acid glucuronide</a> / <a href="/entries/PHUB001081">Eriodictyol-7-glucuronide</a> / <a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB001100">Hesperetin glucuronide</a> / <a href="/entries/PHUB001105">Homoeriodictyol</a> / <a href="/entries/PHUB001110">Homoeriodictyol glucuronide</a> / <a href="/entries/PHUB000378">Eriodictyol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000377">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="378"><td></td><td><a href="/entries/PHUB000378">Eriodictyol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000378</td><td>378</td><td>288.063388106</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td>5,7,3',4'-Tetrahydroxyflavanone</td><td class="structure"><img data-src="/structures/PHUB000378/image.svg" src="" /></td><td>SBHXYTNGIZCORC-ZDUSSCGKSA-N</td><td></td><td>(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one</td><td>288.255</td><td>3.66e-01 g/l</td><td>2.15</td><td>-2.90</td><td>InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1</td><td>OC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C(O)=C1</td><td>-4.950235552435861</td><td>7.847641383059947</td><td></td><td><a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001076">Dihydrocaffeic acid glucuronide</a> / <a href="/entries/PHUB001081">Eriodictyol-7-glucuronide</a> / <a href="/entries/PHUB001100">Hesperetin glucuronide</a> / <a href="/entries/PHUB001105">Homoeriodictyol</a> / <a href="/entries/PHUB001110">Homoeriodictyol glucuronide</a> / <a href="/entries/PHUB001126">Phloroglucinol</a> / <a href="/entries/PHUB000380">Hesperetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000378">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="379"><td></td><td><a href="/entries/PHUB000379">Eriodictyol 7-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000379</td><td>379</td><td>450.116211528</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000379/image.svg" src="" /></td><td>RAFHNDRXYHOLSH-MMQMLBMASA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>450.396</td><td>1.77e+00 g/l</td><td>0.00</td><td>-2.40</td><td>InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14?,16-,18-,19+,20-,21+/m1/s1</td><td>OC[C@H]1O[C@H](OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810923437586574</td><td>8.536153776183703</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000379">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="380"><td></td><td><a href="/entries/PHUB000380">Hesperetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>5,7,3'-Trihydroxy-4'-methoxyflavanone</td><td>PHUB000380</td><td>380</td><td>302.079038171</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td>4'-Methyleriodictyol; 5,7,3'-Trihydroxy-4'-methoxyflavanone</td><td class="structure"><img data-src="/structures/PHUB000380/image.svg" src="" /></td><td>AIONOLUJZLIMTK-UHFFFAOYSA-N</td><td>520-33-2</td><td>5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>302.282</td><td>1.38e-01 g/l</td><td>2.52</td><td>-3.34</td><td>InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3</td><td>COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1</td><td>-4.618662915893278</td><td>7.8617017146792705</td><td><a href="/food_sources/87">Lemon</a> / <a href="/food_sources/91">Lime</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/149">Sweet orange</a></td><td><a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB000378">Eriodictyol</a> / <a href="/entries/PHUB001090">Hesperetin-3',7-diglucuronide</a> / <a href="/entries/PHUB001092">Hesperetin-3'-glucuronide</a> / <a href="/entries/PHUB001094">Hesperetin-3'-sulfate</a> / <a href="/entries/PHUB001096">Hesperetin 5,7-diglucuronide</a> / <a href="/entries/PHUB001098">Hesperetin-7-glucuronide</a> / <a href="/entries/PHUB001102">Hesperetin sulfoglucuronide</a> / <a href="/entries/PHUB001105">Homoeriodictyol</a> / <a href="/entries/PHUB001108">Homoeriodictyol-4'-glucuronide</a> / <a href="/entries/PHUB001109">Homoeriodictyol-7-glucuronide</a> / <a href="/entries/PHUB001112">Homoeriodictyol-sulfate</a> / <a href="/entries/PHUB001126">Phloroglucinol</a> / <a href="/entries/PHUB001334">4-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001433">Dihydroisoferulic acid</a> / <a href="/entries/PHUB001434">Dihydroisoferulic acid-3'-glucuronide</a> / <a href="/entries/PHUB000380">Hesperetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000380">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="381"><td></td><td><a href="/entries/PHUB000381">Hesperidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000381</td><td>381</td><td>610.189770395</td><td>C<sub>28</sub>H<sub>34</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Ciratin; Hesperetin 7-O-rutinoside</td><td class="structure"><img data-src="/structures/PHUB000381/image.svg" src="" /></td><td>QUQPHWDTPGMPEX-LLHRBZKSSA-N</td><td></td><td>5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>610.565</td><td>2.69e+00 g/l</td><td>-0.27</td><td>-2.36</td><td>InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1</td><td>COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1</td><td>-3.612182351683661</td><td>8.609445995469542</td><td><a href="/food_sources/344">Grapefruit juice</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/149">Sweet orange</a></td><td><a href="/entries/PHUB001069">3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid</a> / <a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB001090">Hesperetin-3',7-diglucuronide</a> / <a href="/entries/PHUB001092">Hesperetin-3'-glucuronide</a> / <a href="/entries/PHUB001094">Hesperetin-3'-sulfate</a> / <a href="/entries/PHUB001096">Hesperetin 5,7-diglucuronide</a> / <a href="/entries/PHUB001098">Hesperetin-7-glucuronide</a> / <a href="/entries/PHUB001102">Hesperetin sulfoglucuronide</a> / <a href="/entries/PHUB001104">Hesperetin-5-sulfate</a> / <a href="/entries/PHUB001433">Dihydroisoferulic acid</a> / <a href="/entries/PHUB001113">Naringenin-4'-glucuronide</a> / <a href="/entries/PHUB001117">Naringenin-7-glucuronide</a> / <a href="/entries/PHUB001100">Hesperetin glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000381">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="382"><td></td><td><a href="/entries/PHUB000382">Isosakuranetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000382</td><td>382</td><td>286.084123551</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4'-Methylnaringenin; Citrofoliol</td><td class="structure"><img data-src="/structures/PHUB000382/image.svg" src="" /></td><td>HMUJXQRRKBLVOO-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>286.283</td><td>8.79e-02 g/l</td><td>2.95</td><td>-3.51</td><td>InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3</td><td>COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1</td><td>-4.582032172551624</td><td>7.866812009334595</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000382">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="383"><td></td><td><a href="/entries/PHUB000383">Isosakuranin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000383</td><td>383</td><td>448.136946973</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000383/image.svg" src="" /></td><td>KEEWIHDTSNESJZ-NKGQIIMOSA-N</td><td></td><td>5-hydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>448.424</td><td>
81.02e+00 g/l</td><td>0.47</td><td>-2.64</td><td>InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15?,17-,19?,20-,21-,22-/m1/s1</td><td>COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)C(O)[C@@H](O)[C@H]3O)C=C2O1</td><td>-2.9810923437586574</td><td>8.638942781741276</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000383">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="384"><td></td><td><a href="/entries/PHUB000384">Isoxanthohumol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000384</td><td>384</td><td>354.146723808</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-Methyl-8-prenylnaringenin; 7,4'-Dihydroxy-5-methoxy-8-prenylflavanone</td><td class="structure"><img data-src="/structures/PHUB000384/image.svg" src="" /></td><td>YKGCBLWILMDSAV-UHFFFAOYSA-N</td><td>70872-29-6</td><td>7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>354.402</td><td>1.42e-02 g/l</td><td>3.25</td><td>-4.40</td><td>InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3</td><td>COC1=C2C(=O)CC(OC2=C(CC=C(C)C)C(O)=C1)C1=CC=C(O)C=C1</td><td>-4.626074648338253</td><td>7.6644544444732565</td><td><a href="/food_sources/14">Beer</a></td><td><a href="/entries/PHUB000373">8-Prenylnaringenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000384">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="385"><td></td><td><a href="/entries/PHUB000385">Liquiritin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000385</td><td>385</td><td>418.126382288</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Liquiritigenin 4'-O-glucoside</td><td class="structure"><img data-src="/structures/PHUB000385/image.svg" src="" /></td><td>DEMKZLAVQYISIA-UZQFATADSA-N</td><td></td><td>7-hydroxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>418.398</td><td>9.79e-01 g/l</td><td>0.43</td><td>-2.63</td><td>InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15?,17-,18-,19+,20-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343686494</td><td>7.7979583436037885</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000385">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="386"><td></td><td><a href="/entries/PHUB000386">Liquiritigenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000386</td><td>386</td><td>256.073558866</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7,4'-Dihydroxyflavanone</td><td class="structure"><img data-src="/structures/PHUB000386/image.svg" src="" /></td><td>FURUXTVZLHCCNA-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>256.257</td><td>1.33e-01 g/l</td><td>2.79</td><td>-3.28</td><td>
8InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2</td><td>OC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2</td><td>-4.939949525645975</td><td>7.788865319898535</td><td><a href="/food_sources/92">Liquorice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000386">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="387"><td></td><td><a href="/entries/PHUB000387">Naringenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4',5,7-trihydroxyflavan-4-one</td><td>PHUB000387</td><td>387</td><td>272.068473486</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td>5,7,4'-Trihydroxyflavanone</td><td class="structure"><img data-src="/structures/PHUB000387/image.svg" src="" /></td><td>FTVWIRXFELQLPI-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>272.256</td><td>2.14e-01 g/l</td><td>2.47</td><td>-3.11</td><td>InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2</td><td>OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1</td><td>-4.950228081125502</td><td>7.856156114596552</td><td><a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/344">Grapefruit juice</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB001078">3-Phenylpropionic acid</a> / <a href="/entries/PHUB001113">Naringenin-4'-glucuronide</a> / <a href="/entries/PHUB001117">Naringenin-7-glucuronide</a> / <a href="/entries/PHUB001121">Naringenin-diglucuronide</a> / <a href="/entries/PHUB001123">Naringenin-sulfate</a> / <a href="/entries/PHUB001124">Naringenin-sulfoglucuronide</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB001126">Phloroglucinol</a> / <a href="/entries/PHUB000605">Phloretic acid</a> / <a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB002118">Naringenin-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000387">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="388"><td></td><td><a href="/entries/PHUB000388">Prunin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000388</td><td>388</td><td>434.121296908</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Naringenin 7-O-glucoside</td><td class="structure"><img data-src="/structures/PHUB000388/image.svg" src="" /></td><td>DLIKSSGEMUFQOK-RGHIGTIISA-N</td><td></td><td>5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>434.397</td><td>1.53e+00 g/l</td><td>0.17</td><td>-2.45</td><td>InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14?,16-,18-,19+,20-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810923437586574</td><td>8.579384760542238</td><td></td><td><a href="/entries/PHUB001113">Naringenin-4'-glucuronide</a> / <a href="/entries/PHUB001117">Naringenin-7-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000388">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="389"><td></td><td><a href="/entries/PHUB000389">Naringin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000389</td><td>389</td><td>580.17920571</td><td>C<sub>27</sub>H<sub>32</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Naringenin 7-O-neohesperidoside; Naringenin 7-O-rhamnoglucoside</td><td class="structure"><img data-src="/structures/PHUB000389/image.svg" src="" /></td><td>DFPMSGMNTNDNHN-JJLSSNRUSA-N</td><td></td><td>7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>580.539</td><td>4.06e+00 g/l</td><td>-0.24</td><td>-2.16</td><td>InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16?,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-2.981092569339441</td><td>8.579343855596704</td><td><a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/344">Grapefruit juice</a> / <a href="/food_sources/87">Lemon</a> / <a href="/food_sources/91">Lime</a> / <a href="/food_sources/138">Sour orange</a> / <a href="/food_sources/149">Sweet orange</a></td><td><a href="/entries/PHUB001078">3-Phenylpropionic acid</a> / <a href="/entries/PHUB001113">Naringenin-4'-glucuronide</a> / <a href="/entries/PHUB001117">Naringenin-7-glucuronide</a> / <a href="/entries/PHUB000605">Phloretic acid</a> / <a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB002143">Naringenin-7- sulfate</a> / <a href="/entries/PHUB002144">Naringenin-4'-sulfate</a> / <a href="/entries/PHUB001085">Eriodictyol sulfate</a> / <a href="/entries/PHUB002142">Naringenin-5-glucuronide</a> / <a href="/entries/PHUB000378">Eriodictyol</a> / <a href="/entries/PHUB001124">Naringenin-sulfoglucuronide</a> / <a href="/entries/PHUB000389">Naringin</a> / <a href="/entries/PHUB001121">Naringenin-diglucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000389">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="390"><td></td><td><a href="/entries/PHUB000390">Naringenin 4'-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000390</td><td>390</td><td>434.121296908</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000390/image.svg" src="" /></td><td>KSDSYIXRWHRPMN-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>434.397</td><td>1.30e+00 g/l</td><td>0.21</td><td>-2.52</td><td>InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-6,14,16,18-24,26-28H,7-8H2</td><td>OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O</td><td>-2.981092343686494</td><td>7.866791850966711</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000390">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="391"><td></td><td><a href="/entries/PHUB000391">Naringin 6'-malonate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000391</td><td>391</td><td>666.179599635</td><td>C<sub>30</sub>H<sub>34</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Naringenin 7-O-(6""-malonate-neohesperidoside)</td><td class="structure"><img data-src="/structures/PHUB000391/image.svg" src="" /></td><td>YCOQCRMFNLZUCL-UHFFFAOYSA-N</td><td></td><td>3-[(3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-3-oxopropanoic acid</td><td>666.585</td><td>1.93e+00 g/l</td><td>0.39</td><td>-2.54</td><td>InChI=1S/C30H34O17/c1-11-23(37)25(39)27(41)29(43-11)47-28-26(40)24(38)19(10-42-21(36)9-20(34)35)46-30(28)44-14-6-15(32)22-16(33)8-17(45-18(22)7-14)12-2-4-13(31)5-3-12/h2-7,11,17,19,23-32,37-41H,8-10H2,1H3,(H,34,35)</td><td>CC1OC(OC2C(O)C(O)C(COC(=O)CC(O)=O)OC2OC2=CC3=C(C(=O)CC(O3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O</td><td>-3.61218262944907</td><td>3.3730318103290737</td><td><a href="/food_sources/344">Grapefruit juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000391">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="392"><td></td><td><a href="/entries/PHUB000392">Narirutin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000392</td><td>392</td><td>580.17920571</td><td>C<sub>27</sub>H<sub>32</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Isonaringin; Naringenin 7-O-rutinoside</td><td class="structure"><img data-src="/structures/PHUB000392/image.svg" src="" /></td><td>HXTFHSYLYXVTHC-TUURGLJWSA-N</td><td>14259-46-2</td><td>5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>580.539</td><td>3.08e+00 g/l</td><td>-0.35</td><td>-2.28</td><td>InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.612182351683661</td><td>8.579286961223794</td><td><a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/344">Grapefruit juice</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/149">Sweet orange</a></td><td><a href="/entries/PHUB001113">Naringenin-4'-glucuronide</a> / <a href="/entries/PHUB001117">Naringenin-7-glucuronide</a> / <a href="/entries/PHUB001121">Naringenin-diglucuronide</a> / <a href="/entries/PHUB000387">Naringenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000392">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="393"><td></td><td><a href="/entries/PHUB000393">Narirutin 4'-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000393</td><td>393</td><td>742.232029132</td><td>C<sub>33</sub>H<sub>42</sub>O<sub>19</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000393/image.svg" src="" /></td><td>KQUWJUNIYQVHCG-UHFFFAOYSA-N</td><td></td><td>5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one</td><td>742.68</td><td>5.04e+00 g/l</td><td>-0.92</td><td>-2.17</td><td>InChI=1S/C33H42O19/c1-11-22(37)25(40)28(43)31(47-11)46-10-20-24(39)27(42)30(45)33(52-20)49-14-6-15(35)21-16(36)8-17(50-18(21)7-14)12-2-4-13(5-3-12)48-32-29(44)26(41)23(38)19(9-34)51-32/h2-7,11,17,19-20,22-35,37-45H,8-10H2,1H3</td><td>CC1OC(OCC2OC(OC3=CC4=C(C(=O)CC(O4)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O</td><td>-3.6486859942971166</td><td>8.638742099616142</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000393">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="394"><td></td><td><a href="/entries/PHUB000394">Neoeriocitrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000394</td><td>394</td><td>596.17412033</td><td>C<sub>27</sub>H<sub>32</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Eriodictyol 7-O-neohesperidoside</td><td class="structure"><img data-src="/structures/PHUB000394/image.svg" src="" /></td><td>OBKKEZLIABHSGY-BEDUMGIKSA-N</td><td></td><td>7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one</td><td>596.538</td><td>4.42e+00 g/l</td><td>-0.36</td><td>-2.13</td><td>InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16?,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.61218262944907</td><td>8.536117144681361</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000394">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="395"><td></td><td><a href="/entries/PHUB000395">Neohesperidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000395</td><td>395</td><td>610.189770395</td><td>C<sub>28</sub>H<sub>34</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Hesperetin 7-O-neohesperidoside</td><td class="structure"><img data-src="/structures/PHUB000395/image.svg" src="" /></td><td>ARGKVCXINMKCAZ-NXNSLOOGSA-N</td><td></td><td>7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>610.565</td><td>3.37e+00 g/l</td><td>-0.27</td><td>-2.26</td><td>InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17?,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1</td><td>COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1</td><td>-2.981092569339441</td><td>8.609506981435558</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000395">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="396"><td></td><td><a href="/entries/PHUB000396">Pinocembrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000396</td><td>396</td><td>256.073558866</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,7-Dihydroxyflavanone; Dihydrochrysin</td><td class="structure"><img data-src="/structures/PHUB000396/image.svg" src="" /></td><td>URFCJEUYXNAHFI-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one</td><td>256.257</td><td>1.88e-01 g/l</td><td>2.85</td><td>-3.14</td><td>InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2</td><td>OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1</td><td>-4.950227971056941</td><td>7.866812033519348</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000396">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="397"><td></td><td><a href="/entries/PHUB000397">Poncirin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000397</td><td>397</td><td>594.194855775</td><td>C<sub>28</sub>H<sub>34</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Citrifolioside; Isosakuranetin 7-O-neohesperidoside</td><td class="structure"><img data-src="/structures/PHUB000397/image.svg" src="" /></td><td>NLAWPKPYBMEWIR-YZOWQMJMSA-N</td><td></td><td>7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>594.566</td><td>2.32e+00 g/l</td><td>-0.13</td><td>-2.41</td><td>InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17?,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1</td><td>COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1</td><td>-2.981092569339441</td><td>8.63889578238621</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000397">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="398"><td></td><td><a href="/entries/PHUB000398">Sakuranetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000398</td><td>398</td><td>286.084123551</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,4'-Dihydroxy-7-methoxyflavanone; 7-Methylnaringenin</td><td class="structure"><img data-src="/structures/PHUB000398/image.svg" src="" /></td><td>DJOJDHGQRNZXQQ-UHFFFAOYSA-N</td><td></td><td>5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one</td><td>286.283</td><td>8.83e-02 g/l</td><td>2.86</td><td>-3.51</td><td>InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3</td><td>COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(O)C=C1</td><td>-4.601141020848354</td><td>8.62401089215263</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000398">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="399"><td></td><td><a href="/entries/PHUB000399">Butin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000399</td><td>399</td><td>272.068473486</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7,3',4'-Trihydroxyflavanone</td><td class="structure"><img data-src="/structures/PHUB000399/image.svg" src="" /></td><td>MJBPUQUGJNAPAZ-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one</td><td>272.256</td><td>1.88e-01 g/l</td><td>2.55</td><td>-3.16</td><td>InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2</td><td>OC1=CC2=C(C=C1)C(=O)CC(O2)C1=CC(O)=C(O)C=C1</td><td>
8-4.939956994421496</td><td>7.781562272391926</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000399">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="400"><td></td><td><a href="/entries/PHUB000400">Garbanzol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000400</td><td>400</td><td>272.068473486</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,7,4'-Trihydroxyflavanone</td><td class="structure"><img data-src="/structures/PHUB000400/image.svg" src="" /></td><td>VRTGGIJPIYOHGT-MLCCFXAWSA-N</td><td></td><td>(3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>272.256</td><td>6.99e-01 g/l</td><td>1.40</td><td>-2.59</td><td>InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15?/m0/s1</td><td>O[C@@H]1C(OC2=C(C=CC(O)=C2)C1=O)C1=CC=C(O)C=C1</td><td>-4.016086728399542</td><td>7.688456793199346</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000400">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="401"><td></td><td><a href="/entries/PHUB000401">Glabranin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000401</td><td>401</td><td>324.136159124</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000401/image.svg" src="" /></td><td>DAWSYIQAGQMLFS-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one</td><td>324.376</td><td>1.69e-02 g/l</td><td>3.59</td><td>-4.28</td><td>InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3</td><td>CC(C)=CCC1=C2OC(CC(=O)C2=C(O)C=C1O)C1=CC=CC=C1</td><td>-4.960717006082008</td><td>7.697870499740829</td><td><a href="/food_sources/92">Liquorice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000401">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="402"><td></td><td><a href="/entries/PHUB000402">Eriodictyol-6-C-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000402</td><td>402</td><td>450.116211528</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000402/image.svg" src="" /></td><td>FNJRUYGFVNGXTL-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one</td><td>450.396</td><td>3.18e+00 g/l</td><td>-0.10</td><td>-2.15</td><td>InChI=1S/C21H22O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-3,5,12,14,17,19-24,26-30H,4,6H2</td><td>OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(CC2=O)C2=CC(O)=C(O)C=C2)C=C1O</td><td>-2.9791926269403</td><td>7.421984550478682</td><td><a href="/food_sources/133">Rooibos tea</a></td><td><a href="/entries/PHUB001083">Eriodictyol-glucuronide</a> / <a href="/entries/PHUB001085">Eriodictyol sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000402">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="403"><td></td><td><a href="/entries/PHUB000403">Eriodictyol-8-C-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000403</td><td>403</td><td>450.116211528</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000403/image.svg" src="" /></td><td>CMVYWFJFAHQVQP-GJNDOSSTSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one</td><td>450.396</td><td>3.25e+00 g/l</td><td>-0.17</td><td>-2.14</td><td>InChI=1S/C21H22O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-4,13-14,17-19,21-26,28-30H,5-6H2/t13?,14-,17-,18+,19-,21+/m1/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=C(O)C(O)=C1</td><td>-2.979192627705511</td><td>7.453718913332286</td><td><a href="/food_sources/133">Rooibos tea</a></td><td><a href="/entries/PHUB001083">Eriodictyol-glucuronide</a> / <a href="/entries/PHUB001085">Eriodictyol sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000403">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="404"><td></td><td><a href="/entries/PHUB000404">Betalamic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000404</td><td>404</td><td>211.048072394</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>5</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td class="structure"><img data-src="/structures/PHUB000404/image.svg" src="" /></td><td>YQDKULBMDMPFLH-FSRBREEPSA-N</td><td></td><td>(2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>211.173</td><td>4.72e+00 g/l</td><td>0.53</td><td>-1.65</td><td>InChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1-/t7-/m0/s1</td><td>[H]OC(=O)[C@@H]1C\C(C=C(N1[H])C(=O)O[H])=C(\[H])C([H])=O</td><td>1.2488652865068497</td><td>3.688323342583959</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000404">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="405"><td></td><td><a href="/entries/PHUB000405">Betanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000405</td><td>405</td><td>550.143488905</td><td>C<sub>24</sub>H<sub>26</sub>N<sub>2</sub>O<sub>13</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td>betanidin 5-O-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000405/image.svg" src="" /></td><td>DHHFDKNIEVKVKS-FMOSSLLZSA-N</td><td>7659-95-2</td><td>(1E,2S)-1-{2-[(2S,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>550.473</td><td>5.00e-01 g/l</td><td>0.21</td><td>-3.08</td><td>InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C(C=C2O)\[N+](=C\C=C2/C[C@H](NC(=C2)C(O)=O)C(O)=O)[C@@H](C3)C([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6483953658807287</td><td>2.4023261997458794</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/402">Red beet Juice</a> / <a href="/food_sources/273">Swiss chard</a></td><td><a href="/entries/PHUB000405">Betanin</a> / <a href="/entries/PHUB002576">2,15,17-tridecarboxy-2,3-dehydro-neobetanin</a> / <a href="/entries/PHUB000416">15-decarboxy-betanin</a> / <a href="/entries/PHUB000410">2-decarboxy-betanin</a> / <a href="/entries/PHUB000417">2,17-didecarboxy-betanin</a> / <a href="/entries/PHUB000420">2,15,17-tridecarboxy-betanin</a> / <a href="/entries/PHUB000407">Betanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000405">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="406"><td></td><td><a href="/entries/PHUB000406">Isobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000406</td><td>406</td><td>550.143488905</td><td>C<sub>24</sub>H<sub>26</sub>N<sub>2</sub>O<sub>13</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td>isobetanidin 5-O-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000406/image.svg" src="" /></td><td>DHHFDKNIEVKVKS-RYGANQNKSA-N</td><td>15121-53-6</td><td>(1E,2S)-1-{2-[(2R,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>550.473</td><td>5.00e-01 g/l</td><td>0.21</td><td>-3.08</td><td>InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14+,17-,18-,19+,20-,24-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=C(O)C=C3C(C[C@@H](C([O-])=O)\[N+]3=C/C=C3\C[C@@H](NC(=C3)C(O)=O)C(O)=O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6483953658807287</td><td>2.4023261997458794</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/273">Swiss chard</a></td><td><a href="/entries/PHUB000406">Isobetanin</a> / <a href="/entries/PHUB000408">Isobetanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000406">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="407"><td></td><td><a href="/entries/PHUB000407">Betanidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000407</td><td>407</td><td>388.090665483</td><td>C<sub>18</sub>H<sub>16</sub>N<sub>2</sub>O<sub>8</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000407/image.svg" src="" /></td><td>XHJKHSXHWJCBLX-DGCLKSJQSA-N</td><td>2181-76-2</td><td>(1Z,2R)-1-{2-[(2R,4Z)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>388.332</td><td>5.19e-02 g/l</td><td>0.49</td><td>-3.93</td><td>InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H5,21,22,23,24,25,26,27,28)/t11-,13-/m1/s1</td><td>OC(=O)[C@H]1C\C(=C\C=[N+]2\[C@H](CC3=C2C=C(O)C(O)=C3)C([O-])=O)C=C(N1)C(O)=O</td><td>1.21572394932017</td><td>2.497539283971253</td><td><a href="/food_sources/273">Swiss chard</a></td><td><a href="/entries/PHUB000416">15-decarboxy-betanin</a> / <a href="/entries/PHUB002577">17-decarboxy-betanidin</a> / <a href="/entries/PHUB002578">17-decarboxy-isobetanidin</a> / <a href="/entries/PHUB000420">2,15,17-tridecarboxy-betanin</a> / <a href="/entries/PHUB000417">2,17-didecarboxy-betanin</a> / <a href="/entries/PHUB002579">2-decarboxy-betanidin</a> / <a href="/entries/PHUB000410">2-decarboxy-betanin</a> / <a href="/entries/PHUB000407">Betanidin</a> / <a href="/entries/PHUB000413">17-decarboxy-betanin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000407">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="408"><td></td><td><a href="/entries/PHUB000408">Isobetanidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000408</td><td>408</td><td>389.097941936</td><td>C<sub>18</sub>H<sub>17</sub>N<sub>2</sub>O<sub>8</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000408/image.svg" src="" /></td><td>XHJKHSXHWJCBLX-AAEUAGOBSA-O</td><td></td><td>(1E,2S)-2-carboxy-1-{2-[(2S,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>389.339</td><td>4.73e-02 g/l</td><td>0.86</td><td>-3.95</td><td>InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H5,21,22,23,24,25,26,27,28)/p+1/t11-,13-/m0/s1</td><td>[H]N1C(=C\C(C[C@@]1([H])C(O)=O)=C(/[H])\C=[N+]1/[C@@H](CC2=CC(O)=C(O)C=C12)C(O)=O)C(O)=O</td><td>1.21572394932017</td><td>2.4975392839712525</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000408">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="409"><td></td><td><a href="/entries/PHUB000409">Neobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000409</td><td>409</td><td>548.127838841</td><td>C<sub>24</sub>H<sub>24</sub>N<sub>2</sub>O<sub>13</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>neobetanidin 5-O-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000409/image.svg" src="" /></td><td>JGRJFJIJVQCUMW-KPIVEDDKSA-N</td><td>71199-29-6</td><td>4-[(1E)-2-[(2S)-2-carboxy-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-1-yl]ethenyl]pyridine-2,6-dicarboxylic acid</td><td>548.457</td><td>1.14e+00 g/l</td><td>-0.15</td><td>-2.68</td><td>InChI=1S/C24H24N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-4,6-7,14,17-20,24,27-31H,5,8H2,(H,32,33)(H,34,35)(H,36,37)/b2-1+/t14-,17+,18+,19-,20+,24?/m0/s1</td><td>OC[C@H]1OC(OC2=C(O)C=C3N(\C=C\C4=CC(=NC(=C4)C(O)=O)C(O)=O)[C@@H](CC3=C2)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6483953658803494</td><td>2.732648404738295</td><td></td><td><a href="/entries/PHUB002577">17-decarboxy-betanidin</a> / <a href="/entries/PHUB002580">15-decarboxy-neobetanin</a> / <a href="/entries/PHUB000415">17-decarboxy-neobetanin</a> / <a href="/entries/PHUB002576">2,15,17-tridecarboxy-2,3-dehydro-neobetanin</a> / <a href="/entries/PHUB000421">2,15,17-tridecarboxy-neobetanin</a> / <a href="/entries/PHUB000419">2,17-didecarboxy-neobetanin</a> / <a href="/entries/PHUB000412">2-decarboxy-neobetanin</a> / <a href="/entries/PHUB000409">Neobetanin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000409">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="410"><td></td><td><a href="/entries/PHUB000410">2-decarboxy-betanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000410</td><td>410</td><td>507.160936118</td><td>C<sub>23</sub>H<sub>27</sub>N<sub>2</sub>O<sub>11</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000410/image.svg" src="" /></td><td>LHFIVCHVGBRMCE-MYXJXEHFSA-O</td><td></td><td>(1E)-1-{2-[(2R,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>507.471</td><td>4.91e-01 g/l</td><td>-0.89</td><td>-3.04</td><td>
8InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-2-4-25(14(11)8-15(16)27)3-1-10-5-12(21(31)32)24-13(6-10)22(33)34/h1,3,5,7-8,13,17-20,23,26,28-30H,2,4,6,9H2,(H3,27,31,32,33,34)/p+1/t13-,17-,18-,19+,20-,23?/m1/s1</td><td>[H]N1C(=C\C(C[C@]1([H])C(O)=O)=C(/[H])\C=[N+]1/CCC2=CC(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C12)C(O)=O</td><td>-2.981092354907908</td><td>3.4646944124372534</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000410">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="411"><td></td><td><a href="/entries/PHUB000411">2-decarboxy-isobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000411</td><td>411</td><td>507.160936118</td><td>C<sub>23</sub>H<sub>27</sub>N<sub>2</sub>O<sub>11</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000411/image.svg" src="" /></td><td>LHFIVCHVGBRMCE-IMUROLJVSA-O</td><td></td><td>(1E)-1-{2-[(2S,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>507.471</td><td>4.91e-01 g/l</td><td>-0.89</td><td>-3.04</td><td>InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-2-4-25(14(11)8-15(16)27)3-1-10-5-12(21(31)32)24-13(6-10)22(33)34/h1,3,5,7-8,13,17-20,23,26,28-30H,2,4,6,9H2,(H3,27,31,32,33,34)/p+1/t13-,17+,18+,19-,20+,23?/m0/s1</td><td>[H]N1C(=C\C(C[C@@]1([H])C(O)=O)=C(/[H])\C=[N+]1/CCC2=CC(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C12)C(O)=O</td><td>-2.981092354907908</td><td>3.4646944124372534</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000411">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="412"><td></td><td><a href="/entries/PHUB000412">2-decarboxy-neobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000412</td><td>412</td><td>506.153659665</td><td>C<sub>23</sub>H<sub>26</sub>N<sub>2</sub>O<sub>11</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000412/image.svg" src="" /></td><td>QEEUPPGOYYSBBM-BESWIXOSSA-N</td><td>852290-56-3</td><td>4-[(1E)-2-(6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,7a-tetrahydro-1H-indol-1-yl)ethenyl]pyridine-2,6-dicarboxylic acid</td><td>506.464</td><td>1.85e+00 g/l</td><td>-1.32</td><td>-2.44</td><td>InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-2-4-25(14(11)8-15(16)27)3-1-10-5-12(21(31)32)24-13(6-10)22(33)34/h1,3,5-8,11,14,17-20,23,26-30H,2,4,9H2,(H,31,32)(H,33,34)/b3-1+/t11?,14?,17-,18-,19+,20-,23?/m1/s1</td><td>OC[C@H]1OC(OC2=CC3CCN(\C=C\C4=CC(=NC(=C4)C(O)=O)C(O)=O)C3C=C2O)[C@H](O)[C@@H](O)[C@@H]1O</td><td>7.174373278736493</td><td>3.0088690944915584</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000412">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="413"><td></td><td><a href="/entries/PHUB000413">17-decarboxy-betanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000413</td><td>413</td><td>507.160936118</td><td>C<sub>23</sub>H<sub>27</sub>N<sub>2</sub>O<sub>11</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000413/image.svg" src="" /></td><td>ODZSVTKJEOTEJA-MZZFHJFRSA-O</td><td></td><td>(1E,2R)-2-carboxy-1-{2-[(2R,4E)-2-carboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>507.471</td><td>7.87e-01 g/l</td><td>-0.09</td><td>-2.84</td><td>
8InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-6-14(22(33)34)25(13(11)8-15(16)27)4-2-10-1-3-24-12(5-10)21(31)32/h1-4,7-8,12,14,17-20,23,26,28-30H,5-6,9H2,(H3,27,31,32,33,34)/p+1/t12-,14-,17-,18-,19+,20-,23?/m1/s1</td><td>[H]N1C=C\C(C[C@]1([H])C(O)=O)=C(/[H])\C=[N+]1\C2=CC(O)=C(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2C[C@]1([H])C(O)=O</td><td>8.116856405880073</td><td>0.9196688749437765</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000413">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="414"><td></td><td><a href="/entries/PHUB000414">17-decarboxy-isobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000414</td><td>414</td><td>507.160936118</td><td>C<sub>23</sub>H<sub>27</sub>N<sub>2</sub>O<sub>11</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000414/image.svg" src="" /></td><td>ODZSVTKJEOTEJA-LQBZLAGRSA-O</td><td></td><td>(1E,2R)-2-carboxy-1-{2-[(2S,4E)-2-carboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>507.471</td><td>7.87e-01 g/l</td><td>-0.09</td><td>-2.84</td><td>InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-6-14(22(33)34)25(13(11)8-15(16)27)4-2-10-1-3-24-12(5-10)21(31)32/h1-4,7-8,12,14,17-20,23,26,28-30H,5-6,9H2,(H3,27,31,32,33,34)/p+1/t12-,14+,17+,18+,19-,20+,23?/m0/s1</td><td>[H]N1C=C\C(C[C@@]1([H])C(O)=O)=C(/[H])\C=[N+]1\C2=CC(O)=C(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2C[C@]1([H])C(O)=O</td><td>8.116856405880073</td><td>0.9196688749437765</td><td></td><td><a href="/entries/PHUB000414">17-decarboxy-isobetanin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000414">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="415"><td></td><td><a href="/entries/PHUB000415">17-decarboxy-neobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000415</td><td>415</td><td>504.138009601</td><td>C<sub>23</sub>H<sub>24</sub>N<sub>2</sub>O<sub>11</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000415/image.svg" src="" /></td><td>WJEMSCKDKUZHHE-JSBLLWMQSA-N</td><td></td><td>(2S)-1-[(1E)-2-(2-carboxypyridin-4-yl)ethenyl]-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid</td><td>504.448</td><td>1.43e+00 g/l</td><td>-0.22</td><td>-2.55</td><td>InChI=1S/C23H24N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-6-14(22(33)34)25(13(11)8-15(16)27)4-2-10-1-3-24-12(5-10)21(31)32/h1-5,7-8,14,17-20,23,26-30H,6,9H2,(H,31,32)(H,33,34)/b4-2+/t14-,17+,18+,19-,20+,23?/m0/s1</td><td>[H][C@]1(CC2=C(C=C(O)C(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)N1\C=C\C1=CC=NC(=C1)C(O)=O)C(O)=O</td><td>-2.981092354907698</td><td>2.9719514953526205</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000415">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="416"><td></td><td><a href="/entries/PHUB000416">15-decarboxy-betanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000416</td><td>416</td><td>507.160936118</td><td>C<sub>23</sub>H<sub>27</sub>N<sub>2</sub>O<sub>11</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000416/image.svg" src="" /></td><td>TUFCRSJUUGMVTK-PULKIMFOSA-O</td><td></td><td>(1E,2R)-2-carboxy-1-{2-[(4E)-6-carboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>507.471</td><td>7.73e-01 g/l</td><td>0.18</td><td>-2.85</td><td>
8InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-6-14(22(33)34)25(13(11)8-15(16)27)4-2-10-1-3-24-12(5-10)21(31)32/h2,4-5,7-8,14,17-20,23,26,28-30H,1,3,6,9H2,(H3,27,31,32,33,34)/p+1/t14-,17-,18-,19+,20-,23?/m1/s1</td><td>[H]N1CC\C(C=C1C(O)=O)=C(\[H])/C=[N+]1/C2=CC(O)=C(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2C[C@]1([H])C(O)=O</td><td>1.7267817755986503</td><td>2.6697570829238555</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000416">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="417"><td></td><td><a href="/entries/PHUB000417">2,17-didecarboxy-betanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000417</td><td>417</td><td>463.171106878</td><td>C<sub>22</sub>H<sub>27</sub>N<sub>2</sub>O<sub>9</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000417/image.svg" src="" /></td><td>XEDJMNDIFSUTPP-IASSRYRMSA-O</td><td></td><td>(1E)-1-{2-[(2R,4E)-2-carboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>463.462</td><td>4.83e-01 g/l</td><td>-1.66</td><td>-3.01</td><td>InChI=1S/C22H26N2O9/c25-10-17-18(27)19(28)20(29)22(33-17)32-16-8-12-3-6-24(14(12)9-15(16)26)5-2-11-1-4-23-13(7-11)21(30)31/h1-2,4-5,8-9,13,17-20,22,25,27-29H,3,6-7,10H2,(H2,26,30,31)/p+1/t13-,17-,18-,19+,20-,22?/m1/s1</td><td>[H]N1C=C\C(C[C@]1([H])C(O)=O)=C\C=[N+]1/CCC2=CC(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C12</td><td>8.241827192470987</td><td>1.1987714631204307</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000417">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="418"><td></td><td><a href="/entries/PHUB000418">2,17-didecarboxy-isobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000418</td><td>418</td><td>463.171106878</td><td>C<sub>22</sub>H<sub>27</sub>N<sub>2</sub>O<sub>9</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000418/image.svg" src="" /></td><td>XEDJMNDIFSUTPP-GMYKNNPYSA-O</td><td></td><td>(1E)-1-{2-[(2S,4E)-2-carboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>463.462</td><td>4.83e-01 g/l</td><td>-1.66</td><td>-3.01</td><td>InChI=1S/C22H26N2O9/c25-10-17-18(27)19(28)20(29)22(33-17)32-16-8-12-3-6-24(14(12)9-15(16)26)5-2-11-1-4-23-13(7-11)21(30)31/h1-2,4-5,8-9,13,17-20,22,25,27-29H,3,6-7,10H2,(H2,26,30,31)/p+1/t13-,17+,18+,19-,20+,22?/m0/s1</td><td>[H]N1C=C\C(C[C@@]1([H])C(O)=O)=C\C=[N+]1/CCC2=CC(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C12</td><td>8.241827192470987</td><td>1.1987714631204307</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000418">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="419"><td></td><td><a href="/entries/PHUB000419">2,17-didecarboxy-neobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000419</td><td>419</td><td>462.163830425</td><td>C<sub>22</sub>H<sub>26</sub>N<sub>2</sub>O<sub>9</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000419/image.svg" src="" /></td><td>OUFNNXJRFIGQFM-RXHCNIIASA-N</td><td>852290-55-2</td><td>4-[(1E)-2-(6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,7a-tetrahydro-1H-indol-1-yl)ethenyl]pyridine-2-carboxylic acid</td><td>462.455</td><td>2.26e+00 g/l</td><td>-0.81</td><td>-2.31</td><td>InChI=1S/C22H26N2O9/c25-10-17-18(27)19(28)20(29)22(33-17)32-16-8-12-3-6-24(14(12)9-15(16)26)5-2-11-1-4-23-13(7-11)21(30)31/h1-2,4-5,7-9,12,14,17-20,22,25-29H,3,6,10H2,(H,30,31)/b5-2+/t12?,14?,17-,18-,19+,20-,22?/m1/s1</td><td>OC[C@H]1OC(OC2=CC3CCN(\C=C\C4=CC(=NC=C4)C(O)=O)C3C=C2O)[C@H](O)[C@@H](O)[C@@H]1O</td><td>7.213232213045055</td><td>0.7047682477383252</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000419">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="420"><td></td><td><a href="/entries/PHUB000420">2,15,17-tridecarboxy-betanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000420</td><td>420</td><td>419.181277638</td><td>C<sub>21</sub>H<sub>27</sub>N<sub>2</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000420/image.svg" src="" /></td><td>RFMZQOJPTYAVAR-AWGDKMGJSA-O</td><td></td><td>(1E)-6-hydroxy-1-{2-[(4E)-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>419.453</td><td>5.45e-01 g/l</td><td>-1.57</td><td>-2.92</td><td>InChI=1S/C21H26N2O7/c24-11-17-18(26)19(27)20(28)21(30-17)29-16-9-13-4-8-23(14(13)10-15(16)25)7-3-12-1-5-22-6-2-12/h1,3,5,7,9-10,17-21,24-28H,2,4,6,8,11H2/p+1/t17-,18-,19+,20-,21?/m1/s1</td><td>[H]N1CC\C(C=C1)=C(\[H])/C=[N+]1\CCC2=CC(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C12</td><td>8.254160831705668</td><td>8.940575060650726</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000420">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="421"><td></td><td><a href="/entries/PHUB000421">2,15,17-tridecarboxy-neobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000421</td><td>421</td><td>416.158351121</td><td>C<sub>21</sub>H<sub>24</sub>N<sub>2</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000421/image.svg" src="" /></td><td>BMUOFBGZOHQQKC-KVOCSKHESA-N</td><td></td><td>(3R,4S,5S,6R)-2-({6-hydroxy-1-[(1E)-2-(pyridin-4-yl)ethenyl]-2,3-dihydro-1H-indol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>416.43</td><td>3.32e+00 g/l</td><td>0.16</td><td>-2.10</td><td>InChI=1S/C21H24N2O7/c24-11-17-18(26)19(27)20(28)21(30-17)29-16-9-13-4-8-23(14(13)10-15(16)25)7-3-12-1-5-22-6-2-12/h1-3,5-7,9-10,17-21,24-28H,4,8,11H2/b7-3+/t17-,18-,19+,20-,21?/m1/s1</td><td>OC[C@H]1OC(OC2=C(O)C=C3N(CCC3=C2)\C=C\C2=CC=NC=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>5.168347662604483</td><td>10.180576677922318</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000421">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="422"><td></td><td><a href="/entries/PHUB000422">Prebetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000422</td><td>422</td><td>631.107580392</td><td>C<sub>24</sub>H<sub>27</sub>N<sub>2</sub>O<sub>16</sub>S</td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>betanidin 5-O-(6'-sulfate)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000422/image.svg" src="" /></td><td>OZXPZOHWSFDUDY-RYGANQNKSA-O</td><td></td><td></td><td>631.54</td><td></td><td></td><td></td><td>InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)/p+1/t12-,14+,17-,18-,19+,20-,24-/m1/s1</td><td>O[C@@H]1[C@@H](COS(O)(=O)=O)O[C@@H](OC2=CC3=C(C=C2O)\[N+](=C\C=C2/C[C@@H](NC(=C2)C(O)=O)C(O)=O)[C@@H](C3)C(O)=O)[C@H](O)[C@H]1O</td><td></td><td></td><td><a href="/food_sources/290">Red beetroot</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000422">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="423"><td></td><td><a href="/entries/PHUB000423">Hylocerenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000423</td><td>423</td><td>694.185747643</td><td>C<sub>30</sub>H<sub>34</sub>N<sub>2</sub>O<sub>17</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>betanidin 5-O-(6'-O-3''-hydroxy-3''-methyl-glutaryl)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000423/image.svg" src="" /></td><td>QKXXHWFHBPIWQB-WXZMGVIUSA-N</td><td>403517-96-4</td><td>(1E,2S)-5-{[(2R,3S,4R,5R,6S)-6-({[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-{2-[(2S,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>694.599</td><td>2.03e-01 g/l</td><td>-0.34</td><td>-3.57</td><td>InChI=1S/C30H34N2O17/c1-30(46,9-21(34)35)10-22(36)47-11-20-23(37)24(38)25(39)29(49-20)48-19-7-13-6-17(28(44)45)32(16(13)8-18(19)33)3-2-12-4-14(26(40)41)31-15(5-12)27(42)43/h2-4,7-8,15,17,20,23-25,29,37-39,46H,5-6,9-11H2,1H3,(H5,33,34,35,40,41,42,43,44,45)/t15-,17-,20-,23-,24+,25-,29-,30-/m0/s1</td><td>C[C@](O)(CC(O)=O)CC(=O)OC[C@@H]1O[C@H](OC2=C(O)C=C3C(C[C@@H](C([O-])=O)\[N+]3=C/C=C3\C[C@H](NC(=C3)C(O)=O)C(O)=O)=C2)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.678966911796883</td><td>2.383383511319388</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000423">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="424"><td></td><td><a href="/entries/PHUB000424">Isohylocerenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000424</td><td>424</td><td>694.185747643</td><td>C<sub>30</sub>H<sub>34</sub>N<sub>2</sub>O<sub>17</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>isobetanidin 5-O-(6'-O-3''-hydroxy-3''-methyl-glutaryl)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000424/image.svg" src="" /></td><td>QKXXHWFHBPIWQB-KVYXXMNBSA-N</td><td>403517-97-5</td><td>(1E,2S)-5-{[(2R,3S,4R,5R,6S)-6-({[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-{2-[(2R,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>694.599</td><td>2.03e-01 g/l</td><td>-0.34</td><td>-3.57</td><td>InChI=1S/C30H34N2O17/c1-30(46,9-21(34)35)10-22(36)47-11-20-23(37)24(38)25(39)29(49-20)48-19-7-13-6-17(28(44)45)32(16(13)8-18(19)33)3-2-12-4-14(26(40)41)31-15(5-12)27(42)43/h2-4,7-8,15,17,20,23-25,29,37-39,46H,5-6,9-11H2,1H3,(H5,33,34,35,40,41,42,43,44,45)/t15-,17+,20+,23+,24-,25+,29+,30+/m1/s1</td><td>C[C@](O)(CC(O)=O)CC(=O)OC[C@@H]1O[C@H](OC2=C(O)C=C3C(C[C@@H](C([O-])=O)\[N+]3=C/C=C3\C[C@@H](NC(=C3)C(O)=O)C(O)=O)=C2)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.678966911796883</td><td>2.383383511319388</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000424">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="425"><td></td><td><a href="/entries/PHUB000425">Phyllocactin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000425</td><td>425</td><td>650.159532894</td><td>C<sub>28</sub>H<sub>30</sub>N<sub>2</sub>O<sub>16</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>betanidin 5-O-(6'-O-malonyl)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000425/image.svg" src="" /></td><td>DCGMVLYJFORYIG-VJCXAXFISA-N</td><td>15167-85-8</td><td>(1E,2S)-5-{[(3R,4R,5S,6R)-6-[(4-carboxybutanoyl)oxy]-3,4,5-trihydroxyoxan-2-yl]oxy}-1-{2-[(4Z)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>650.546</td><td>1.97e-01 g/l</td><td>0.16</td><td>-3.55</td><td>InChI=1S/C28H30N2O16/c31-17-10-15-12(8-16(26(42)43)30(15)5-4-11-6-13(24(38)39)29-14(7-11)25(40)41)9-18(17)44-27-22(36)21(35)23(37)28(46-27)45-20(34)3-1-2-19(32)33/h4-6,9-10,14,16,21-23,27-28,35-37H,1-3,7-8H2,(H5,31,32,33,38,39,40,41,42,43)/t14?,16-,21+,22+,23-,27?,28-/m0/s1</td><td>O[C@H]1[C@H](O)[C@@H](OC(=O)CCCC(O)=O)OC(OC2=C(O)C=C3C(C[C@@H](C([O-])=O)\[N+]3=C/C=C3/CC(NC(=C3)C(O)=O)C(O)=O)=C2)[C@@H]1O</td><td>-3.958245750419876</td><td>2.3794438804598657</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000425">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="426"><td></td><td><a href="/entries/PHUB000426">Isophyllocactin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000426</td><td>426</td><td>650.159532894</td><td>C<sub>28</sub>H<sub>30</sub>N<sub>2</sub>O<sub>16</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>isobetanidin 5-O-(6'-O-malonyl)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000426/image.svg" src="" /></td><td>DCGMVLYJFORYIG-VJCXAXFISA-N</td><td></td><td>(1E,2S)-5-{[(3R,4R,5S,6R)-6-[(4-carboxybutanoyl)oxy]-3,4,5-trihydroxyoxan-2-yl]oxy}-1-{2-[(4Z)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>650.546</td><td>1.97e-01 g/l</td><td>0.16</td><td>-3.55</td><td>InChI=1S/C28H30N2O16/c31-17-10-15-12(8-16(26(42)43)30(15)5-4-11-6-13(24(38)39)29-14(7-11)25(40)41)9-18(17)44-27-22(36)21(35)23(37)28(46-27)45-20(34)3-1-2-19(32)33/h4-6,9-10,14,16,21-23,27-28,35-37H,1-3,7-8H2,(H5,31,32,33,38,39,40,41,42,43)/t14?,16-,21+,22+,23-,27?,28-/m0/s1</td><td>O[C@H]1[C@H](O)[C@@H](OC(=O)CCCC(O)=O)OC(OC2=C(O)C=C3C(C[C@@H](C([O-])=O)\[N+]3=C/C=C3/CC(NC(=C3)C(O)=O)C(O)=O)=C2)[C@@H]1O</td><td>-3.958245750419876</td><td>2.3794438804598657</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000426">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="427"><td></td><td><a href="/entries/PHUB000427">Lampranthin II</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000427</td><td>427</td><td>726.190833023</td><td>C<sub>34</sub>H<sub>34</sub>N<sub>2</sub>O<sub>16</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>betanidin 5-O-(6'-O-feruloyl)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000427/image.svg" src="" /></td><td>BRMDRKOAVZEJCS-WPUGSIMNSA-N</td><td>32074-65-0</td><td>(2S)-2-carboxy-1-{2-[(2S)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium</td><td>726.644</td><td>4.75e-02 g/l</td><td>1.48</td><td>-4.22</td><td>InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-12-17-11-21(33
8(47)48)36(20(17)13-23(25)38)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1</td><td>COC1=C([O-])C=CC(C=CC(=O)OC[C@H]2O[C@@H](OC3=C(O)C=C4C(C[C@@H](C(O)=O)[N+]4=CC=C4C[C@H](NC(=C4)C(O)=O)C(O)=O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)=C1</td><td>-3.678967020475271</td><td>2.402326183809894</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000427">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="428"><td></td><td><a href="/entries/PHUB000428">Isolampranthin II</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000428</td><td>428</td><td>726.190833023</td><td>C<sub>34</sub>H<sub>34</sub>N<sub>2</sub>O<sub>16</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>isobetanidin 5-O-(6'-O-feruloyl)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000428/image.svg" src="" /></td><td>BRMDRKOAVZEJCS-YCVPHGRYSA-N</td><td>33594-55-7</td><td>(1E,2S)-1-{2-[(2R,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>726.644</td><td>5.13e-02 g/l</td><td>1.46</td><td>-4.18</td><td>InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-12-17-11-21(33(47)48)36(20(17)13-23(25)38)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21+,26-,28-,29+,30-,34?/m1/s1</td><td>[H]N1[C@H](C\C(C=C1C(O)=O)=C(\[H])/C=[N+]1\[C@@H](CC2=CC(OC3O[C@H](COC(=O)\C=C\C4=CC=C(O)C(OC)=C4)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C12)C([O-])=O)C(O)=O</td><td>-3.678967020475271</td><td>2.402326183809894</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000428">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="429"><td></td><td><a href="/entries/PHUB000429">Gomphrenin I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000429</td><td>429</td><td>550.143488905</td><td>C<sub>24</sub>H<sub>26</sub>N<sub>2</sub>O<sub>13</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>betanidin 6-O-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000429/image.svg" src="" /></td><td>YUDKHXMQDKVDGU-FMOSSLLZSA-N</td><td>17008-59-2</td><td>(1E,2S)-1-{2-[(2S,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>550.473</td><td>4.78e-01 g/l</td><td>0.26</td><td>-3.10</td><td>InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](C([O-])=O)\[N+]3=C/C=C3\C[C@H](NC(=C3)C(O)=O)C(O)=O)C=C2O)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.648395366047384</td><td>2.402262015921291</td><td><a href="/food_sources/123">Prickly pear</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000429">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="430"><td></td><td><a href="/entries/PHUB000430">Isogomphrenin I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000430</td><td>430</td><td>550.143488905</td><td>C<sub>24</sub>H<sub>26</sub>N<sub>2</sub>O<sub>13</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>isobetanidin 6-O-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000430/image.svg" src="" /></td><td>YUDKHXMQDKVDGU-RYGANQNKSA-N</td><td></td><td>(1E,2S)-1-{2-[(2R,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>550.473</td><td>4.78e-01 g/l</td><td>0.26</td><td>-3.10</td><td>InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14+,17-,18-,19+,20-,24-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C(C[C@@H](C([O-])=O)\[N+]3=C/C=C3\C[C@@H](NC(=C3)C(O)=O)C(O)=O)C=C2O)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.648395366047384</td><td>2.402262015921291</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000430">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="431"><td></td><td><a href="/entries/PHUB000431">3-Methoxy-tyramine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000431</td><td>431</td><td>360.132136372</td><td>C<sub>18</sub>H<sub>20</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000431/image.svg" src="" /></td><td>SBHOSQZNRDXQAX-WSESCXGKSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>360.366</td><td>8.05e-02 g/l</td><td>2.19</td><td>-3.65</td><td>InChI=1S/C18H20N2O6/c1-26-16-10-11(2-3-15(16)21)4-6-19-7-5-12-8-13(17(22)23)20-14(9-12)18(24)25/h2-3,5,7-8,10,14,20-21H,4,6,9H2,1H3,(H,22,23)(H,24,25)/b12-5-,19-7-/t14-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N\CCC2=CC(OC)=C(O)C=C2)C=C(N1)C(O)=O)C(O)=O</td><td>11.808104465011787</td><td>3.8406675858868136</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000431">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="432"><td></td><td><a href="/entries/PHUB000432">glutamine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000432</td><td>432</td><td>339.106649899</td><td>C<sub>14</sub>H<sub>17</sub>N<sub>3</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Vulgaxanthin I</td><td class="structure"><img data-src="/structures/PHUB000432/image.svg" src="" /></td><td>PDBJJFJKNSKTSW-IRFVBRLPSA-N</td><td>904-62-1</td><td>(2S,4E)-4-[(2Z)-2-{[(1S)-3-carbamoyl-1-carboxypropyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>339.304</td><td>2.58e-01 g/l</td><td>-0.32</td><td>-3.12</td><td>InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,16-4-/t8-,10-/m0/s1</td><td>NC(=O)CC[C@H](\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O</td><td>8.591694046417878</td><td>1.647127728943454</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000432">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="433"><td></td><td><a href="/entries/PHUB000433">Glutamic acid-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000433</td><td>433</td><td>340.090665483</td><td>C<sub>14</sub>H<sub>16</sub>N<sub>2</sub>O<sub>8</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Vulgaxanthin II</td><td class="structure"><img data-src="/structures/PHUB000433/image.svg" src="" /></td><td>HWOAHVAPMFFSAN-PVXSWLFQSA-N</td><td>1047-87-6</td><td>(2S)-4-[(1E)-2-{[(1S)-1,3-dicarboxypropyl]amino}ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid</td><td>340.288</td><td>2.18e-01 g/l</td><td>0.07</td><td>-3.19</td><td>InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,15H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b4-3+/t8-,10-/m0/s1</td><td>OC(=O)CC[C@H](N\C=C\C1=CC(=N[C@@H](C1)C(O)=O)C(O)=O)C(O)=O</td><td>9.08304137253509</td><td>1.0768222473831235</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000433">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="434"><td></td><td><a href="/entries/PHUB000434">Asparagine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000434</td><td>434</td><td>325.090999835</td><td>C<sub>13</sub>H<sub>15</sub>N<sub>3</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Vulgaxanthin III</td><td class="structure"><img data-src="/structures/PHUB000434/image.svg" src="" /></td><td>ZVEXYBAPQJFYFJ-PXDRJJNMSA-N</td><td></td><td>(2S,4E)-4-(2-{[(1S)-2-carbamoyl-1-carboxyethyl]imino}ethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>325.277</td><td>3.54e-01 g/l</td><td>-0.41</td><td>-2.96</td><td>InChI=1S/C13H15N3O7/c14-10(17)5-7(11(18)19)15-2-1-6-3-8(12(20)21)16-9(4-6)13(22)23/h1-3,7,9,16H,4-5H2,(H2,14,17)(H,18,19)(H,20,21)(H,22,23)/b6-1-,15-2?/t7-,9-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N[C@@H](CC(N)=O)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>8.278419492874065</td><td>1.5685953684611578</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000434">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="435"><td></td><td><a href="/entries/PHUB000435">Leucine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000435</td><td>435</td><td>324.132136372</td><td>C<sub>15</sub>H<sub>20</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Vulgaxanthin IV</td><td class="structure"><img data-src="/structures/PHUB000435/image.svg" src="" /></td><td>ROSMOQADGQSNPU-FJDWGVDESA-N</td><td></td><td>(2S,4E)-4-[(2E)-2-[(1-carboxy-3-methylbutyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>324.333</td><td>1.60e-01 g/l</td><td>1.44</td><td>-3.31</td><td>InChI=1S/C15H20N2O6/c1-8(2)5-10(13(18)19)16-4-3-9-6-11(14(20)21)17-12(7-9)15(22)23/h3-4,6,8,10,12,17H,5,7H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b9-3-,16-4+/t10?,12-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N/C(CC(C)C)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>8.817877358917153</td><td>1.8432833737188585</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000435">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="436"><td></td><td><a href="/entries/PHUB000436">Isoleucine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000436</td><td>436</td><td>324.132136372</td><td>C<sub>15</sub>H<sub>20</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000436/image.svg" src="" /></td><td>CPTLBLHJPWEWRB-JQJUSHLPSA-N</td><td></td><td>(2S,4E)-4-{2-[(1-carboxy-2-methylbutyl)imino]ethylidene}-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>324.333</td><td>1.69e-01 g/l</td><td>1.43</td><td>-3.28</td><td>InChI=1S/C15H20N2O6/c1-3-8(2)12(15(22)23)16-5-4-9-6-10(13(18)19)17-11(7-9)14(20)21/h4-6,8,11-12,17H,3,7H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b9-4-,16-5?/t8?,11-,12?/m0/s1</td><td>[H][C@]1(C\C(=C/C=NC(C(C)CC)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>8.738288609993642</td><td>1.8382133928538051</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000436">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="437"><td></td><td><a href="/entries/PHUB000437">Methionine sulfoxide-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000437</td><td>437</td><td>358.083472102</td><td>C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>O<sub>7</sub>S</td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miraxanthin I</td><td class="structure"><img data-src="/structures/PHUB000437/image.svg" src="" /></td><td>KRWNKOCPQBHMPM-PVDTWJDUSA-N</td><td>5296-79-7</td><td>(2S,4E)-4-(2-{[(1S)-1-carboxy-3-methanesulfinylpropyl]imino}ethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>358.37</td><td>8.37e-01 g/l</td><td>0.16</td><td>-2.63</td><td>InChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2-,15-4?/t9-,11-,24?/m0/s1</td><td>[H][C@]1(C\C(=C/C=N[C@@H](CCS(C)=O)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>8.421228869450063</td><td>1.4906699877011316</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000437">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="438"><td></td><td><a href="/entries/PHUB000438">Methionine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000438</td><td>438</td><td>342.088557482</td><td>C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>O<sub>6</sub>S</td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000438/image.svg" src="" /></td><td>OOEBWEUZBRBRQY-AIJRUOFWSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>342.37</td><td>1.41e-01 g/l</td><td>0.74</td><td>-3.39</td><td>InChI=1S/C14H18N2O6S/c1-23-5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2-,15-4-/t9-,11-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N\[C@@H](CCSC)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>8.70823047353023</td><td>1.7636115798358285</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000438">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="439"><td></td><td><a href="/entries/PHUB000439">Aspartic acid-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000439</td><td>439</td><td>326.075015419</td><td>C<sub>13</sub>H<sub>14</sub>N<sub>2</sub>O<sub>8</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miraxanthin II</td><td class="structure"><img data-src="/structures/PHUB000439/image.svg" src="" /></td><td>YHGOPYILBIAFGW-UIBMYNJFSA-N</td><td>5375-63-3</td><td>(2S,4E)-4-(2-{[(1S)-1,2-dicarboxyethyl]imino}ethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>326.261</td><td>2.56e-01 g/l</td><td>0.38</td><td>-3.11</td><td>InChI=1S/C13H14N2O8/c16-10(17)5-7(11(18)19)14-2-1-6-3-8(12(20)21)15-9(4-6)13(22)23/h1-3,7,9,15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)/b6-1-,14-2?/t7-,9-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N[C@@H](CC(O)=O)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>8.533344274268947</td><td>1.4632858317448012</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000439">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="440"><td></td><td><a href="/entries/PHUB000440">Tyramine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000440</td><td>440</td><td>330.121571688</td><td>C<sub>17</sub>H<sub>18</sub>N<sub>2</sub>O<sub>5</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miraxanthin III</td><td class="structure"><img data-src="/structures/PHUB000440/image.svg" src="" /></td><td>LWXJBFFPVPUUSL-JEUDWDASSA-N</td><td>5589-85-5</td><td>(4E)-4-[(2Z)-2-{[2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>330.34</td><td>9.78e-02 g/l</td><td>2.17</td><td>-3.53</td><td>InChI=1S/C17H18N2O5/c20-13-3-1-11(2-4-13)5-7-18-8-6-12-9-14(16(21)22)19-15(10-12)17(23)24/h1-4,6,8-9,15,19-20H,5,7,10H2,(H,21,22)(H,23,24)/b12-6-,18-8-</td><td>OC(=O)C1C\C(=C/C=N\CCC2=CC=C(O)C=C2)C=C(N1)C(O)=O</td><td>11.98524794108094</td><td>3.8453518439002035</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000440">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="441"><td></td><td><a href="/entries/PHUB000441">Dopamine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000441</td><td>441</td><td>346.116486308</td><td>C<sub>17</sub>H<sub>18</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miraxanthin V; miraxanthin-V</td><td class="structure"><img data-src="/structures/PHUB000441/image.svg" src="" /></td><td>PDKFHZWVCCZUIF-YJHWCPSBSA-N</td><td>5375-64-4</td><td>(4E)-4-[(2Z)-2-{[2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>346.339</td><td>7.64e-02 g/l</td><td>2.22</td><td>-3.66</td><td>InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6-</td><td>OC(=O)C1C\C(=C/C=N\CCC2=CC=C(O)C(O)=C2)C=C(N1)C(O)=O</td><td>11.706908236363846</td><td>3.839038610201701</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000441">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="442"><td></td><td><a href="/entries/PHUB000442">Histidine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000442</td><td>442</td><td>348.106984251</td><td>C<sub>15</sub>H<sub>16</sub>N<sub>4</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Muscaaurin VII</td><td class="structure"><img data-src="/structures/PHUB000442/image.svg" src="" /></td><td>BSRYRWSRAZYVFS-MISNAGCKSA-N</td><td>81943-08-0</td><td>(2S,4E)-4-[(2Z)-2-{[1-carboxy-2-(1H-imidazol-4-yl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>348.315</td><td>1.30e-01 g/l</td><td>0.61</td><td>-3.43</td><td>InChI=1S/C15H16N4O6/c20-13(21)10(5-9-6-16-7-18-9)17-2-1-8-3-11(14(22)23)19-12(4-8)15(24)25/h1-3,6-7,10,12,19H,4-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)/b8-1-,17-2-/t10?,12-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N\C(CC2=CNC=N2)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>8.814732954932913</td><td>1.5255074256837484</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000442">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="443"><td></td><td><a href="/entries/PHUB000443">tyrosine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000443</td><td>443</td><td>374.111400928</td><td>C<sub>18</sub>H<sub>18</sub>N<sub>2</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Portulacaxanthin II</td><td class="structure"><img data-src="/structures/PHUB000443/image.svg" src="" /></td><td>XZCZKQZHJKYDQW-RFMXEPQUSA-N</td><td></td><td>(2S)-4-[(1E)-2-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino}ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid</td><td>374.349</td><td>7.83e-02 g/l</td><td>1.55</td><td>-3.68</td><td>InChI=1S/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,19,21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b6-5+/t13-,15-/m0/s1</td><td>OC(=O)[C@H](CC1=CC=C(O)C=C1)N\C=C\C1=CC(=N[C@@H](C1)C(O)=O)C(O)=O</td><td>8.844079790648655</td><td>1.1149799475698086</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000443">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="444"><td></td><td><a href="/entries/PHUB000444">Glycine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000444</td><td>444</td><td>268.069536114</td><td>C<sub>11</sub>H<sub>12</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Portulacaxanthin III</td><td class="structure"><img data-src="/structures/PHUB000444/image.svg" src="" /></td><td>ZZZQMKRQWYRKFG-HVXFQPPXSA-N</td><td>135545-99-2</td><td>(2S,4E)-4-[(2Z)-2-[(carboxymethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>268.225</td><td>4.01e-01 g/l</td><td>0.44</td><td>-2.83</td><td>InChI=1S/C11H12N2O6/c14-9(15)5-12-2-1-6-3-7(10(16)17)13-8(4-6)11(18)19/h1-3,8,13H,4-5H2,(H,14,15)(H,16,17)(H,18,19)/b6-1-,12-2-/t8-/m0/s1</td><td>OC(=O)C\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O</td><td>9.039695718828272</td><td>1.5686698158662302</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000444">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="445"><td></td><td><a href="/entries/PHUB000445">γ-Aminobutyric acid-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000445</td><td>445</td><td>296.100836243</td><td>C<sub>13</sub>H<sub>16</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000445/image.svg" src="" /></td><td>ICGRVJRPJJYWPZ-FDLAANOMSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-[(3-carboxypropyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>296.279</td><td>2.60e-01 g/l</td><td>0.78</td><td>-3.06</td><td>InChI=1S/C13H16N2O6/c16-11(17)2-1-4-14-5-3-8-6-9(12(18)19)15-10(7-8)13(20)21/h3,5-6,10,15H,1-2,4,7H2,(H,16,17)(H,18,19)(H,20,21)/b8-3-,14-5-/t10-/m0/s1</td><td>OC(=O)CCC\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O</td><td>10.344699412982047</td><td>3.6902941452743003</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000445">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="446"><td></td><td><a href="/entries/PHUB000446">Histamine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000446</td><td>446</td><td>304.117155011</td><td>C<sub>14</sub>H<sub>16</sub>N<sub>4</sub>O<sub>4</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000446/image.svg" src="" /></td><td>NKVDSHYVFXEPFV-MSLONMJQSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-{[2-(1H-imidazol-5-yl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>304.306</td><td>2.00e-01 g/l</td><td>0.74</td><td>-3.18</td><td>InChI=1S/C14H16N4O4/c19-13(20)11-5-9(6-12(18-11)14(21)22)1-3-15-4-2-10-7-16-8-17-10/h1,3,5,7-8,12,18H,2,4,6H2,(H,16,17)(H,19,20)(H,21,22)/b9-1-,15-3-/t12-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N\CCC2=CN=CN2)C=C(N1)C(O)=O)C(O)=O</td><td>10.08657686148544</td><td>3.8475489631925996</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000446">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="447"><td></td><td><a href="/entries/PHUB000447">Proline-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000447</td><td>447</td><td>308.100836243</td><td>C<sub>14</sub>H<sub>16</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Indicaxanthin</td><td class="structure"><img data-src="/structures/PHUB000447/image.svg" src="" /></td><td>RJIIQBYZGJSODH-QWRGUYRKSA-N</td><td>2181-75-1</td><td>(2S)-2-carboxy-1-{2-[(2S)-2-carboxy-6-carboxylato-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-1lambda5-pyrrolidin-1-ylium</td><td>308.29</td><td>1.17e-01 g/l</td><td>0.00</td><td>-3.49</td><td>InChI=1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H3,17,18,19,20,21,22)/t10-,11-/m0/s1</td><td>OC(=O)[C@@H]1CCC[N+]1=CC=C1C[C@H](NC(=C1)C([O-])=O)C(O)=O</td><td>1.2676219574005207</td><td>3.0557610656876015</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/273">Swiss chard</a></td><td><a href="/entries/PHUB000447">Proline-betaxanthin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000447">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="448"><td></td><td><a href="/entries/PHUB000448">Phenylalanine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000448</td><td>448</td><td>358.116486308</td><td>C<sub>18</sub>H<sub>18</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000448/image.svg" src="" /></td><td>HAMXRPQAHZQQOG-KBBYHXIASA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-phenylethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>358.35</td><td>4.39e-02 g/l</td><td>1.82</td><td>-3.91</td><td>InChI=1S/C18H18N2O6/c21-16(22)13(8-11-4-2-1-3-5-11)19-7-6-12-9-14(17(23)24)20-15(10-12)18(25)26/h1-7,9,13,15,20H,8,10H2,(H,21,22)(H,23,24)(H,25,26)/b12-6-,19-7-/t13-,15-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N\[C@@H](CC2=CC=CC=C2)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>8.624591893869495</td><td>1.8123627226118437</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000448">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="449"><td></td><td><a href="/entries/PHUB000449">Serine-betaxantin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000449</td><td>449</td><td>298.080100799</td><td>C<sub>12</sub>H<sub>14</sub>N<sub>2</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000449/image.svg" src="" /></td><td>FPSPMXPRFYBHKR-UQXOTDKOSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-hydroxyethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>298.251</td><td>5.71e-01 g/l</td><td>-0.20</td><td>-2.72</td><td>InChI=1S/C12H14N2O7/c15-5-9(12(20)21)13-2-1-6-3-7(10(16)17)14-8(4-6)11(18)19/h1-3,8-9,14-15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)/b6-1-,13-2-/t8-,9-/m0/s1</td><td>OC[C@H](\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O</td><td>7.763436206816464</td><td>1.5129385509061863</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000449">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="450"><td></td><td><a href="/entries/PHUB000450">Valine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000450</td><td>450</td><td>310.116486308</td><td>C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000450/image.svg" src="" /></td><td>OFCWWHRZBKKYLH-NUYXRTHPSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-methylpropyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>310.306</td><td>2.04e-01 g/l</td><td>1.20</td><td>-3.18</td><td>InChI=1S/C14H18N2O6/c1-7(2)11(14(21)22)15-4-3-8-5-9(12(17)18)16-10(6-8)13(19)20/h3-5,7,10-11,16H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b8-3-,15-4-/t10-,11-/m0/s1</td><td>CC(C)[C@H](\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O</td><td>8.695291790775975</td><td>1.7716651058866018</td><td><a href="/food_sources/123">Prickly pear</a> / <a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000450">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="451"><td></td><td><a href="/entries/PHUB000451">Arginine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000451</td><td>451</td><td>367.149183416</td><td>C<sub>15</sub>H<sub>21</sub>N<sub>5</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000451/image.svg" src="" /></td><td>YAQNIUGMDIKWBA-GOEHPVLMSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-{[(1S)-4-carbamimidamido-1-carboxybutyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>367.362</td><td>1.20e-01 g/l</td><td>-0.37</td><td>-3.49</td><td>InChI=1S/C15H21N5O6/c16-15(17)19-4-1-2-9(12(21)22)18-5-3-8-6-10(13(23)24)20-11(7-8)14(25)26/h3,5-6,9,11,20H,1-2,4,7H2,(H,21,22)(H,23,24)(H,25,26)(H4,16,17,19)/b8-3-,18-5-/t9-,11-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N\[C@@H](CCCNC(N)=N)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>12.163512747309106</td><td>1.4057599264666296</td><td><a href="/food_sources/333">Ulluco</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000451">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="452"><td></td><td><a href="/entries/PHUB000452">Lysine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000452</td><td>452</td><td>339.143035408</td><td>C<sub>15</sub>H<sub>21</sub>N<sub>3</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000452/image.svg" src="" /></td><td>PXXNEQRBAYASTO-GTFOEFGDSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-[(5-amino-1-carboxypentyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>339.348</td><td>1.56e-01 g/l</td><td>-2.08</td><td>-3.34</td><td>InChI=1S/C15H21N3O6/c16-5-2-1-3-10(13(19)20)17-6-4-9-7-11(14(21)22)18-12(8-9)15(23)24/h4,6-7,10,12,18H,1-3,5,8,16H2,(H,19,20)(H,21,22)(H,23,24)/b9-4-,17-6-/t10?,12-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N\C(CCCCN)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>10.2234728545405</td><td>1.5709167659923273</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000452">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="453"><td></td><td><a href="/entries/PHUB000453">Threonine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000453</td><td>453</td><td>312.095750863</td><td>C<sub>13</sub>H<sub>16</sub>N<sub>2</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000453/image.svg" src="" /></td><td>QRPJLYZEYIAPNC-OUMWIEETSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-[(1-carboxy-2-hydroxypropyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>312.278</td><td>4.44e-01 g/l</td><td>0.30</td><td>-2.85</td><td>InChI=1S/C13H16N2O7/c1-6(16)10(13(21)22)14-3-2-7-4-8(11(17)18)15-9(5-7)12(19)20/h2-4,6,9-10,15-16H,5H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b7-2-,14-3-/t6?,9-,10?/m0/s1</td><td>[H][C@]1(C\C(=C/C=N\C(C(C)O)C(O)=O)C=C(N1)C(O)=O)C(O)=O</td><td>7.738497324312042</td><td>1.588439160224744</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000453">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="454"><td></td><td><a href="/entries/PHUB000454">Tryptophan-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000454</td><td>454</td><td>397.127385344</td><td>C<sub>20</sub>H<sub>19</sub>N<sub>3</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000454/image.svg" src="" /></td><td>ARKIQAJOXYYWTM-ALIJTWQQSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>397.387</td><td>2.16e-02 g/l</td><td>2.25</td><td>-4.26</td><td>InChI=1S/C20H19N3O6/c24-18(25)15(9-12-10-22-14-4-2-1-3-13(12)14)21-6-5-11-7-16(19(26)27)23-17(8-11)20(28)29/h1-7,10,15,17,22-23H,8-9H2,(H,24,25)(H,26,27)(H,28,29)/b11-5-,21-6-/t15-,17-/m0/s1</td><td>OC(=O)[C@H](CC1=CNC2=CC=CC=C12)\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O</td><td>8.691723934680457</td><td>1.9130260870974072</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000454">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="455"><td></td><td><a href="/entries/PHUB000455">Ethanolamine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000455</td><td>455</td><td>254.090271559</td><td>C<sub>11</sub>H<sub>14</sub>N<sub>2</sub>O<sub>5</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000455/image.svg" src="" /></td><td>NNZFPQMVIVEAPP-TUKBYBJDSA-N</td><td></td><td>(2S,4E)-4-[(2E)-2-[(2-hydroxyethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>254.242</td><td>5.86e-01 g/l</td><td>0.09</td><td>-2.64</td><td>InChI=1S/C11H14N2O5/c14-4-3-12-2-1-7-5-8(10(15)16)13-9(6-7)11(17)18/h1-2,5,9,13-14H,3-4,6H2,(H,15,16)(H,17,18)/b7-1-,12-2+/t9-/m0/s1</td><td>[H][C@]1(C\C(=C/C=N/CCO)C=C(N1)C(O)=O)C(O)=O</td><td>9.541927161324207</td><td>3.7032211031752826</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000455">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="456"><td></td><td><a href="/entries/PHUB000456">5-Hydroxynorvaline-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000456</td><td>456</td><td>326.111400928</td><td>C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Humilixanthin</td><td class="structure"><img data-src="/structures/PHUB000456/image.svg" src="" /></td><td>RVPIQBBRHBAQKG-CFJJVPNFSA-N</td><td></td><td>(2R,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-4-hydroxybutyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>326.305</td><td>2.85e-01 g/l</td><td>0.34</td><td>-3.06</td><td>InChI=1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,16-17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)/b8-3-,15-4-/t9-,11+/m0/s1</td><td>OCCC[C@H](\N=C/C=C1\C[C@@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O</td><td>8.670476100375264</td><td>1.6970416578804552</td><td><a href="/food_sources/41">Common beetroot</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000456">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="457"><td></td><td><a href="/entries/PHUB000457">Phytoene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>7,8,11,12,7',8',11',12'-Octahydro-Ï,Ï-carotene</td><td>PHUB000457</td><td>457</td><td>544.500802061</td><td>C<sub>40</sub>H<sub>64</sub></td><td>Terpenoids</td><td>Carotenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(all-E)-Phytoene; all-trans-Phytoene</td><td class="structure"><img data-src="/structures/PHUB000457/image.svg" src="" /></td><td>YVLPJIGOMTXXLP-BHLJUDRVSA-N</td><td>13920-14-4</td><td>(6E,10E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene</td><td>544.952</td><td>3.17e-04 g/l</td><td>9.60</td><td>-6.23</td><td>InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+</td><td>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/108">Passion fruit</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/430">Tangerine tomato</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/154">Watermelon</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000457">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="458"><td></td><td><a href="/entries/PHUB000458">Phytofluene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>7,8,11,12,7',8'-Hexahydro-Ψ,Ψ-carotene</td><td>PHUB000458</td><td>458</td><td>542.485151996</td><td>C<sub>40</sub>H<sub>62</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(all-E)-Phytofluene; all-trans-Phytofluene; Hexahydrolycopene</td><td class="structure"><img data-src="/structures/PHUB000458/image.svg" src="" /></td><td>OVSVTCFNLSGAMM-DGFSHVNOSA-N</td><td>540-05-6, 27664-65-9</td><td>(6E,10E,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene</td><td>542.936</td><td>3.55e-04 g/l</td><td>9.56</td><td>-6.19</td><td>InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+</td><td>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/108">Passion fruit</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/430">Tangerine tomato</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/392">tomato sauce</a> / <a href="/food_sources/154">Watermelon</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000458">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="459"><td></td><td><a href="/entries/PHUB000459">Neurosporene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>7,8-Dihydro-Ï,Ï-carotene</td><td>PHUB000459</td><td>459</td><td>538.453851868</td><td>C<sub>40</sub>H<sub>58</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000459/image.svg" src="" /></td><td>ATCICVFRSJQYDV-XILUKMICSA-N</td><td>502-64-7</td><td>(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene</td><td>538.904</td><td>3.66e-04 g/l</td><td>9.28</td><td>-6.17</td><td>InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+</td><td>CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/430">Tangerine tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000459">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="460"><td></td><td><a href="/entries/PHUB000460">Lycopene (tetra-cis)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000460</td><td>460</td><td>536.438201803</td><td>C<sub>40</sub>H<sub>56</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Prolycopene</td><td class="structure"><img data-src="/structures/PHUB000460/image.svg" src="" /></td><td>OAIJSZIZWZSQBC-BYUNHUQQSA-N</td><td></td><td>(6E,8Z,10Z,12E,14E,16E,18E,20E,22Z,24Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene</td><td>536.888</td><td>3.97e-04 g/l</td><td>9.16</td><td>-6.13</td><td>InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17-,32-18-,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-</td><td>CC(C)=CCC\C(C)=C\C=C/C(/C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C\C=C(/C)CCC=C(C)C</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000460">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="461"><td></td><td><a href="/entries/PHUB000461">Anhydrolutein I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3R,6'R)-3',4'-Didehydro-beta,gamma-caroten-3-ol</td><td>PHUB000461</td><td>461</td><td>550.417466359</td><td>C<sub>40</sub>H<sub>54</sub>O</td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000461/image.svg" src="" /></td><td>UIUSQYGQZRBKCC-AJGOZXJMSA-N</td><td>92760-20-8</td><td>(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S)-6,6-dimethyl-2-methylidenecyclohex-3-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol</td><td>550.871</td><td>5.77e-04 g/l</td><td>8.96</td><td>-5.98</td><td>InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36-37,41H,5,27-29H2,1-4,6-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37-/m1/s1</td><td>C\C(\C=C\C=C(/C)\C=C\[C@@H]1C(=C)C=CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)
8/C=C/C1=C(C)C[C@@H](O)CC1(C)C</td><td>-1.089784856860705</td><td>18.907213404525137</td><td><a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000461">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="462"><td></td><td><a href="/entries/PHUB000462">Zeaxanthin (meso)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000462</td><td>462</td><td>568.428031043</td><td>C<sub>40</sub>H<sub>56</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000462/image.svg" src="" /></td><td>JKQXZKUSFCKOGQ-YOPUJPICSA-N</td><td></td><td>(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol</td><td>568.886</td><td>6.49e-04 g/l</td><td>8.30</td><td>-5.94</td><td>InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+</td><td>
8C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C</td><td>-0.7887548611967237</td><td>18.907213404525137</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000462">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="463"><td></td><td><a href="/entries/PHUB000463">Zeinoxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3R,6'R)-beta,epsilon-Caroten-3-ol </td><td>PHUB000463</td><td>463</td><td>552.433116423</td><td>C<sub>40</sub>H<sub>56</sub>O</td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Hydroxy-alpha-carotene</td><td class="structure"><img data-src="/structures/PHUB000463/image.svg" src="" /></td><td>NBZANZVJRKXVBH-SZVYCNKZSA-N</td><td>24480-38-4</td><td></td><td>552.887</td><td></td><td></td><td></td><td>InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37?/m1/s1</td><td>C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C</td><td>-1.089784856860705</td><td>18.907213404525137</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000463">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="464"><td></td><td><a href="/entries/PHUB000464">β-Apo-8'-carotenal</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td> 8'-Apo-beta-caroten-8'-al</td><td>PHUB000464</td><td>464</td><td>416.307915908</td><td>C<sub>30</sub>H<sub>40</sub>O</td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4,4'-Diapotorulen-4'-al; beta-Apo-8'-carotenal; E160e</td><td class="structure"><img data-src="/structures/PHUB000464/image.svg" src="" /></td><td>DFMMVLFMMAQXHZ-DOKBYWHISA-N</td><td>1107-26-2</td><td>(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal</td><td>416.649</td><td>8.33e-04 g/l</td><td>7.97</td><td>-5.70</td><td>InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+</td><td>C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C</td><td>-4.168847587359038</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000464">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="465"><td></td><td><a href="/entries/PHUB000465">Bixin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>6-Methyl hydrogen (9'Z)-6,6'-diapocaroene-6,6'-dioate</td><td>PHUB000465</td><td>465</td><td>394.214409446</td><td>C<sub>25</sub>H<sub>30</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>alpha-Bixin; Bixinol; cis-Bixin</td><td class="structure"><img data-src="/structures/PHUB000465/image.svg" src="" /></td><td>RAFGELQLHMBRHD-SLEZCNMESA-N</td><td>6983-79-5</td><td>(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid</td><td>394.511</td><td>1.44e-03 g/l</td><td>6.00</td><td>-5.44</td><td>
8InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-</td><td>COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)=O</td><td>-6.799704490921008</td><td>4.766566942743599</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000465">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="466"><td></td><td><a href="/entries/PHUB000466">Norbixin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(9Z)-6,6'-Diapocarotene-6,6'-dioic acid</td><td>PHUB000466</td><td>466</td><td>380.198759382</td><td>C<sub>24</sub>H<sub>28</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>E 160b</td><td class="structure"><img data-src="/structures/PHUB000466/image.svg" src="" /></td><td>ZVKOASAVGLETCT-LRRSNBNMSA-N</td><td>542-40-5</td><td>(2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid</td><td>380.484</td><td>2.09e-03 g/l</td><td>5.52</td><td>-5.26</td><td>(9Z)-6,6'-Diapocarotene-6,6'-dioic acid</td><td>C/C(/C=C/C=C(/C)\C=C\C(O)=O)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(O)=O</td><td></td><td>4.465536947078439</td><td></td><td><a href="/entries/PHUB000466">Norbixin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000466">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="467"><td></td><td><a href="/entries/PHUB000467">δ-Carotene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(6R)-epsilon,psi-Carotene</td><td>PHUB000467</td><td>467</td><td>536.438201803</td><td>C<sub>40</sub>H<sub>56</sub></td><td>Terpenoids</td><td>Carotenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Carotene-delta; delta-Carotene</td><td class="structure"><img data-src="/structures/PHUB000467/image.svg" src="" /></td><td>WGIYGODPCLMGQH-GOXCNPTKSA-N</td><td>472-92-4</td><td>(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,5,5-trimethylcyclohex-1-ene</td><td>536.888</td><td>3.39e-04 g/l</td><td>9.50</td><td>-6.20</td><td>InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1</td><td>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C</td><td></td><td></td><td><a href="/food_sources/23">Carrot</a> / <a href="/food_sources/104">Papaya</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000467">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="468"><td></td><td><a href="/entries/PHUB000468">Avenasterol (delta5-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000468</td><td>468</td><td>412.370516166</td><td>C<sub>29</sub>H<sub>48</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>29-Isofucosterol; Isofucosterol</td><td class="structure"><img data-src="/structures/PHUB000468/image.svg" src="" /></td><td>OSELKOCHBMDKEJ-APCSMPPYSA-N</td><td></td><td>(7S,9aR,11aR)-9a,11a-dimethyl-1-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>412.702</td><td>7.48e-05 g/l</td><td>7.60</td><td>-6.74</td><td>InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1</td><td>C\C=C(\CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/17">Brazil nut</a> / <a href="/food_sources/24">Cashew nut</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/43">Common hazelnut</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/68">
8Flaxseed</a> / <a href="/food_sources/93">Macadamia nut</a> / <a href="/food_sources/100">Oat</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/113">Pecan nut</a> / <a href="/food_sources/117">Pine nut</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/121">Poppy</a> / <a href="/food_sources/137">Sesame</a> / <a href="/food_sources/143">Sunflower</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000468">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="469"><td></td><td><a href="/entries/PHUB000469">Avenasterol (delta7-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000469</td><td>469</td><td>412.370516166</td><td>C<sub>29</sub>H<sub>48</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000469/image.svg" src="" /></td><td>MCWVPSBQQXUCTB-PNOHOJSCSA-N</td><td></td><td>(5aS,7S,9aS,11aR)-9a,11a-dimethyl-1-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>412.702</td><td>9.25e-05 g/l</td><td>7.62</td><td>-6.65</td><td>InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25?,26?,27?,28+,29-/m1/s1</td><td>[H][C@@]12CC=C3C4CCC([C@H](C)CC\C(=C\C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2</td><td>-1.3283583703607977</td><td>18.361777845540015</td><td><a href="/food_sources/111">Peanut butter</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000469">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="470"><td></td><td><a href="/entries/PHUB000470">Brassicasterol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000470</td><td>470</td><td>398.354866101</td><td>C<sub>28</sub>H<sub>46</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000470/image.svg" src="" /></td><td>OILXMJHPFNGGTO-VFZJMRPLSA-N</td><td></td><td>(7S,9aR,11aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>398.675</td><td>3.47e-05 g/l</td><td>6.48</td><td>-7.06</td><td>InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23?,24?,25?,26?,27-,28+/m0/s1</td><td>CC(C)[C@@H](C)\C=C\[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/2">Alfalfa</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/41">Common beetroot</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/114">Pepper</a> / <a href="/food_sources/126">Rapeseed</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/152">Vaccinium (Blueberry, Cranberry, Huckleberry)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000470">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="471"><td></td><td><a href="/entries/PHUB000471">Campestanol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000471</td><td>471</td><td>402.38616623</td><td>C<sub>28</sub>H<sub>50</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000471/image.svg" src="" /></td><td>ARYTXMNEANMLMU-MATPTPAVSA-N</td><td></td><td>(7S,9aS,11aR)-1-[(2R,5R)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol</td><td>402.707</td><td>1.31e-05 g/l</td><td>6.86</td><td>-7.49</td><td>InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21?,22+,23?,24?,25?,26?,27+,28-/m1/s1</td><td>CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C</td><td>-1.3569562491413656</td><td>18.296396321121705</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/17">Brazil nut</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/24">Cashew nut</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/43">Common hazelnut</a> / <a href="/food_sources/44">Common mushroom</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/86">Leek</a> / <a href="/food_sources/93">Macadamia nut</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/113">
8Pecan nut</a> / <a href="/food_sources/117">Pine nut</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/121">Poppy</a> / <a href="/food_sources/137">Sesame</a> / <a href="/food_sources/143">Sunflower</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000471">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="472"><td></td><td><a href="/entries/PHUB000472">Campesterol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000472</td><td>472</td><td>400.370516166</td><td>C<sub>28</sub>H<sub>48</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(24R)ergost-5-en-3β-ol; campest-5-en-3β-ol; Campesterin</td><td class="structure"><img data-src="/structures/PHUB000472/image.svg" src="" /></td><td>SGNBVLSWZMBQTH-PODYLUTMSA-N</td><td>474-62-4</td><td>(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>400.691</td><td>2.19e-05 g/l</td><td>6.81</td><td>-7.26</td><td>InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1</td><td>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/2">Alfalfa</a> / <a href="/food_sources/4">Almond</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/10">Avocado</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/13">Barley</a> / <a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/17">Brazil nut</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/24">Cashew nut</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/40">Common bean</a> / <a href="/food_sources/41">Common beetroot</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/43">Common hazelnut</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/85">Kiwi</a> / <a href="/food_sources/86">Leek</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/93">Macadamia nut</a> / <a href="/food_sources/100">Oat</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/108">Passion fruit</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/113">
8Pecan nut</a> / <a href="/food_sources/114">Pepper</a> / <a href="/food_sources/117">Pine nut</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/121">Poppy</a> / <a href="/food_sources/122">Potato</a> / <a href="/food_sources/126">Rapeseed</a> / <a href="/food_sources/129">Redcurrant</a> / <a href="/food_sources/135">Rye</a> / <a href="/food_sources/137">Sesame</a> / <a href="/food_sources/139">Soy bean</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/143">Sunflower</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/152">Vaccinium (Blueberry, Cranberry, Huckleberry)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000472">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="473"><td></td><td><a href="/entries/PHUB000473">Clerosterol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000473</td><td>473</td><td>412.370516166</td><td>C<sub>29</sub>H<sub>48</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Stigmastadienol</td><td class="structure"><img data-src="/structures/PHUB000473/image.svg" src="" /></td><td>GHGKPLPBPGYSOO-VFEVHFPZSA-N</td><td></td><td>(9aR,11aR)-1-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>412.702</td><td>1.35e-04 g/l</td><td>7.56</td><td>-6.49</td><td>InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3/t20-,21+,23?,24?,25?,26?,27?,28+,29-/m1/s1</td><td>CC[C@@H](CC[C@@H](C)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/110">Peanut</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000473">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="474"><td></td><td><a href="/entries/PHUB000474">Cycloartenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000474</td><td>474</td><td>426.38616623</td><td>C<sub>30</sub>H<sub>50</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000474/image.svg" src="" /></td><td>ONQRKEUAIJMULO-XZVQXXDYSA-N</td><td>469-38-5</td><td></td><td>426.729</td><td></td><td></td><td></td><td>InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21?,22?,23-,24?,25-,27+,28-,29+,30-/m0/s1</td><td>[H][C@@]1(CC[C@@]2(C)C3CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)[C@H](C)CCC=C(C)C</td><td></td><td></td><td><a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/130">Rice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000474">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="475"><td></td><td><a href="/entries/PHUB000475">Dihydrobrassicasterol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000475</td><td>475</td><td>400.370516166</td><td>C<sub>28</sub>H<sub>48</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Epicampesterol</td><td class="structure"><img data-src="/structures/PHUB000475/image.svg" src="" /></td><td>SGNBVLSWZMBQTH-ROPKYXIZSA-N</td><td></td><td>(9aR,11aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>400.691</td><td>2.19e-05 g/l</td><td>6.81</td><td>-7.26</td><td>InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22?,23?,24?,25?,26?,27-,28+/m0/s1</td><td>CC(C)[C@@H](C)CC[C@@H](C)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/139">Soy bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000475">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="476"><td></td><td><a href="/entries/PHUB000476">Ergosterol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000476</td><td>476</td><td>396.339216037</td><td>C<sub>28</sub>H<sub>44</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Ergosterin; Provitamin D2</td><td class="structure"><img data-src="/structures/PHUB000476/image.svg" src="" /></td><td>DNVPQKQSNYMLRS-KQYMERMZSA-N</td><td></td><td>(7S,9aR,11aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>396.659</td><td>1.56e-04 g/l</td><td>7.39</td><td>-6.41</td><td>InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24?,25?,26?,27-,28+/m0/s1</td><td>CC(C)[C@@H](C)\C=C\[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C</td><td>-1.3681497086596925</td><td>18.270805421445605</td><td><a href="/food_sources/44">Common mushroom</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000476">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="477"><td></td><td><a href="/entries/PHUB000477">Fucosterol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000477</td><td>477</td><td>412.370516166</td><td>C<sub>29</sub>H<sub>48</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Fucosterin</td><td class="structure"><img data-src="/structures/PHUB000477/image.svg" src="" /></td><td>OSELKOCHBMDKEJ-APCSMPPYSA-N</td><td></td><td>(7S,9aR,11aR)-9a,11a-dimethyl-1-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>412.702</td><td>7.48e-05 g/l</td><td>7.60</td><td>-6.74</td><td>InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1</td><td>C\C=C(\CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/38">Coconut</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000477">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="478"><td></td><td><a href="/entries/PHUB000478">Sitostanol-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000478</td><td>478</td><td>416.401816294</td><td>C<sub>29</sub>H<sub>52</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dihydrositosterol; Fucostanol; Stigmastanol</td><td class="structure"><img data-src="/structures/PHUB000478/image.svg" src="" /></td><td>LGJMUZUPVCAVPU-REUBFNFGSA-N</td><td></td><td>(7S,9aS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol</td><td>416.734</td><td>1.14e-05 g/l</td><td>7.23</td><td>-7.56</td><td>InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22?,23+,24?,25?,26?,27?,28+,29-/m1/s1</td><td>CC[C@H](CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C</td><td>-1.3569562491413656</td><td>18.296396321121705</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/17">Brazil nut</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/24">Cashew nut</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/43">Common hazelnut</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/113">
8Pecan nut</a> / <a href="/food_sources/117">Pine nut</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/121">Poppy</a> / <a href="/food_sources/143">Sunflower</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000478">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="479"><td></td><td><a href="/entries/PHUB000479">Sitosterol-beta</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Sitosterol</td><td>PHUB000479</td><td>479</td><td>414.38616623</td><td>C<sub>29</sub>H<sub>50</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(-)-β-Sitosterol; (24R)-Ethylcholest-5-en-3beta-ol; (24R)-Stigmast-5-en-3beta-ol; 22,23-Dihydrostigmasterol; 24α-Ethylcholesterol; Azuprostat; Cupreol; Nimbosterol; Sitosterin; Triastonal; α-Dihydrofucosterol; β-Sitosterin</td><td class="structure"><img data-src="/structures/PHUB000479/image.svg" src="" /></td><td>KZJWDPNRJALLNS-UIKPJUSWSA-N</td><td>83-46-5</td><td>(7S,9aR,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>414.718</td><td>1.84e-05 g/l</td><td>7.27</td><td>-7.35</td><td>InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24?,25?,26?,27?,28+,29-/m1/s1</td><td>CC[C@H](CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/2">Alfalfa</a> / <a href="/food_sources/4">Almond</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/10">Avocado</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/13">Barley</a> / <a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/17">Brazil nut</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/24">Cashew nut</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/36">Cinnamon</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/40">Common bean</a> / <a href="/food_sources/41">Common beetroot</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/43">Common hazelnut</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/56">Cucumber</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/67">Fig</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/85">Kiwi</a> / <a href="/food_sources/86">Leek</a> / <a href="/food_sources/87">Lemon</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/93">Macadamia nut</a> / <a href="/food_sources/100">Oat</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/107">Parsnip</a> / <a href="/food_sources/108">Passion fruit</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/112">Pear</a> / <a href="/food_sources/113">
8Pecan nut</a> / <a href="/food_sources/114">Pepper</a> / <a href="/food_sources/117">Pine nut</a> / <a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/121">Poppy</a> / <a href="/food_sources/122">Potato</a> / <a href="/food_sources/129">Redcurrant</a> / <a href="/food_sources/135">Rye</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/143">Sunflower</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/152">Vaccinium (Blueberry, Cranberry, Huckleberry)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000479">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="480"><td></td><td><a href="/entries/PHUB000480">Spinasterol-alpha</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000480</td><td>480</td><td>412.370516166</td><td>C<sub>29</sub>H<sub>48</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Bessisterol; Chondrillasterol; Spinasterin-alpha</td><td class="structure"><img data-src="/structures/PHUB000480/image.svg" src="" /></td><td>JZVFJDZBLUFKCA-JWSROWKMSA-N</td><td></td><td>(5aS,7S,9aS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>412.702</td><td>3.40e-05 g/l</td><td>7.46</td><td>-7.08</td><td>InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25?,26?,27?,28+,29-/m1/s1</td><td>[H][C@@]12CC=C3C4CCC([C@H](C)\C=C\[C@@H](CC)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2</td><td>-1.3283583703607977</td><td>18.361777845540015</td><td><a href="/food_sources/2">Alfalfa</a> / <a href="/food_sources/111">Peanut butter</a> / <a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000480">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="481"><td></td><td><a href="/entries/PHUB000481">Stigmasterol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000481</td><td>481</td><td>412.370516166</td><td>C<sub>29</sub>H<sub>48</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Stigmasterin</td><td class="structure"><img data-src="/structures/PHUB000481/image.svg" src="" /></td><td>HCXVJBMSMIARIN-IAARLTICSA-N</td><td></td><td>(7S,9aR,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>412.702</td><td>2.73e-05 g/l</td><td>6.95</td><td>-7.18</td><td>InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24?,25?,26?,27?,28+,29-/m1/s1</td><td>CC[C@H](\C=C\[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/2">Alfalfa</a> / <a href="/food_sources/4">Almond</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/10">Avocado</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/13">Barley</a> / <a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/17">Brazil nut</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/24">Cashew nut</a> / <a href="/food_sources/27">
8Cauliflower</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/40">Common bean</a> / <a href="/food_sources/41">Common beetroot</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/43">Common hazelnut</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/85">Kiwi</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/113">Pecan nut</a> / <a href="/food_sources/114">Pepper</a> / <a href="/food_sources/117">Pine nut</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/121">Poppy</a> / <a href="/food_sources/122">Potato</a> / <a href="/food_sources/129">Redcurrant</a> / <a href="/food_sources/346">Roasted coffee</a> / <a href="/food_sources/139">Soy bean</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/143">Sunflower</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000481">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="482"><td></td><td><a href="/entries/PHUB000482">Citrostadienol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000482</td><td>482</td><td>426.38616623</td><td>C<sub>30</sub>H<sub>50</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000482/image.svg" src="" /></td><td>LPZCCMIISIBREI-VMZJTLAQSA-N</td><td></td><td>(5aS,6S,7S,9aS,11aR)-6,9a,11a-trimethyl-1-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>426.729</td><td>7.56e-05 g/l</td><td>7.85</td><td>-6.75</td><td>InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24?,25+,26?,27?,28+,29-,30+/m1/s1</td><td>[H][C@@]12CC=C3C4CCC([C@H](C)CC\C(=C\C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)[C@H]2C</td><td>-1.0677290518229814</td><td>18.957638198850066</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000482">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="483"><td></td><td><a href="/entries/PHUB000483">Cyanidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000483</td><td>483</td><td>287.055014494</td><td>C<sub>15</sub>H<sub>11</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000483/image.svg" src="" /></td><td>VEVZSMAEJFVWIL-UHFFFAOYSA-O</td><td></td><td>2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium</td><td>287.246</td><td>4.89e-02 g/l</td><td>2.41</td><td>-3.82</td><td>InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1</td><td>OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C=C1</td><td>-5.871469355134586</td><td>6.009911357059808</td><td><a href="/food_sources/169">Acerola</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/15">Bilberry</a></td><td><a href="/entries/PHUB001254">3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001255">4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001256">4-(1-Carboxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB002683">Cyanidin-diglucuronide</a> / <a href="/entries/PHUB002684">Cyanidin-3-glucoside-disulfate</a> / <a href="/entries/PHUB001271">Cyanidin glucuronide</a> / <a href="/entries/PHUB001281">Methylcyanidin glucuronide</a> / <a href="/entries/PHUB000483">Cyanidin</a> / <a href="/entries/PHUB002689">Cyanidin-3-glucoside-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000483">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="498"><td></td><td><a href="/entries/PHUB000498">Cyanidin 3,5-O-diglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000498</td><td>498</td><td>611.160661338</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cyanidin 3-O-glucoside-5-O-glucoside; Cyanin</td><td class="structure"><img data-src="/structures/PHUB000498/image.svg" src="" /></td><td>RDFLLVCQYHQOBU-PKICTZKZSA-O</td><td>20905-74-2</td><td>2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>611.528</td><td>1.34e+00 g/l</td><td>-0.18</td><td>-2.68</td><td>InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18+,19-,20+,21+,22-,23-,24+,26-,27+/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=CC3=C2C=C(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=[O+]3)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.648395411034516</td><td>6.648193800752229</td><td><a href="/food_sources/62">Elderberry</a> / <a href="/food_sources/347">Pomegranate juice</a></td><td><a href="/entries/PHUB001257">Peonidin 3-glucoside</a> / <a href="/entries/PHUB000498">Cyanidin 3,5-O-diglucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000498">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="499"><td></td><td><a href="/entries/PHUB000499">Cyanidin 3-O-arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000499</td><td>499</td><td>419.097273232</td><td>C<sub>20</sub>H<sub>19</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)chromenylium-</td><td class="structure"><img data-src="/structures/PHUB000499/image.svg" src="" /></td><td>KUCVMQMKRICXJC-FEUVXWNVSA-O</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>419.361</td><td>4.56e-01 g/l</td><td>1.37</td><td>-3.00</td><td>InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1/t14-,17-,18+,20+/m0/s1</td><td>O[C@H]1CO[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O</td><td>-3.5265985690834403</td><td>6.388332879836749</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/318">Cranberry</a> / <a href="/food_sources/319">Cranberry juice</a></td><td><a href="/entries/PHUB000499">Cyanidin 3-O-arabinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000499">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="500"><td></td><td><a href="/entries/PHUB000500">Cyanidin 3-O-diglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000500</td><td>500</td><td>611.160661338</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000500/image.svg" src="" /></td><td>SXYMMDGPXYVCER-YWXHFWPTSA-O</td><td></td><td>3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>611.528</td><td>1.91e+00 g/l</td><td>0.09</td><td>-2.53</td><td>InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m0/s1</td><td>OC[C@@H]1O[C@H](O[C@@H]2[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.64869226480195</td><td>6.388326655813534</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000500">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="501"><td></td><td><a href="/entries/PHUB000501">Cyanidin 3-O-diglucoside-5-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000501</td><td>501</td><td>773.21348476</td><td>C<sub>33</sub>H<sub>41</sub>O<sub>21</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000501/image.svg" src="" /></td><td>LOXRHOFBKUTJEZ-KVGMNMRRSA-O</td><td></td><td>3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>773.669</td><td>5.81e+00 g/l</td><td>-0.63</td><td>-2.14</td><td>InChI=1S/C33H40O21/c34-7-18-21(40)24(43)27(46)31(51-18)49-16-5-11(37)4-15-12(16)6-17(29(48-15
8)10-1-2-13(38)14(39)3-10)50-33-30(26(45)23(42)20(9-36)53-33)54-32-28(47)25(44)22(41)19(8-35)52-32/h1-6,18-28,30-36,40-47H,7-9H2,(H2-,37,38,39)/p+1/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27-,28+,30+,31-,32-,33+/m1/s1</td><td>OC[C@@H]1O[C@H](O[C@@H]2[C@@H](OC3=CC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.6786228441183995</td><td>6.648190543120489</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000501">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="502"><td></td><td><a href="/entries/PHUB000502">Cyanidin 3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000502</td><td>502</td><td>449.107837916</td><td>C<sub>21</sub>H<sub>21</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000502/image.svg" src="" /></td><td>RKWHWFONKJEUEF-KKKDIUQISA-O</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>449.387</td><td>6.04e-01 g/l</td><td>0.98</td><td>-2.90</td><td>InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m0/s1</td><td>OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@@H]1O</td><td>-2.9810923799280262</td><td>6.388329617449456</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/319">Cranberry juice</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000502">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="503"><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000503</td><td>503</td><td>449.107837916</td><td>C<sub>21</sub>H<sub>21</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl β-D-glucopyranoside; Cyanidin 3-glucoside; cyanidin 3-O-β-D-glucoside; Kuromanin</td><td class="structure"><img data-src="/structures/PHUB000503/image.svg" src="" /></td><td>RKWHWFONKJEUEF-UNJWAJPSSA-O</td><td>7084-24-4</td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>449.387</td><td>6.04e-01 g/l</td><td>0.98</td><td>-2.90</td><td>InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m0/s1</td><td>OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810923799280262</td><td>6.388329617449456</td><td><a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/62">Elderberry</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/347">Pomegranate juice</a> / <a href="/food_sources/256">Red raspberry</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/147">Sweet cherry</a></td><td><a href="/entries/PHUB001258">2-Hydroxy-4-methoxybenzoic acid</a> / <a href="/entries/PHUB001254">3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001260">Protocatechualdehyde</a> / <a href="/entries/PHUB000527">3',4'
8-Dihydroxyphenylacetic acid</a> / <a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a> / <a href="/entries/PHUB001255">4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001256">4-(1-Carboxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB000542">p-Hydroxybenzaldehyde</a> / <a href="/entries/PHUB000295">p-Hydroxybenzoic acid</a> / <a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001268">4-Methoxybenzaldehyde</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001270">Cyanidin 3-glucoside glucuronide</a> / <a href="/entries/PHUB001271">Cyanidin glucuronide</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB001274">Isopeonidin 3-glucoside</a> / <a href="/entries/PHUB001275">Isopeonidin glucuronide</a> / <a href="/entries/PHUB001276">Isovanillic acid</a> / <a href="/entries/PHUB001277">Isovanillic acid-3-O-glucuronide</a> / <a href="/entries/PHUB001278">Isovanillic acid-3-O-sulfate</a> / <a href="/entries/PHUB001279">Methyl-3,4-dihydroxybenzoate</a> / <a href="/entries/PHUB001280">Methylcyanidin 3-glucoside-glucuronide</a> / <a href="/entries/PHUB001281">Methylcyanidin glucuronide</a> / <a href="/entries/PHUB001282">Methylvanillate</a> / <a href="/entries/PHUB001257">Peonidin 3-glucoside</a> / <a href="/entries/PHUB001284">Peonidin 3-glucoside glucuronide</a> / <a href="/entries/PHUB001285">Peonidin glucuronide</a> / <a href="/entries/PHUB001286">Phloroglucinaldehyde</a> / <a href="/entries/PHUB000310">Protocatechuic acid</a> / <a href="/entries/PHUB001288">Protocatechuic acid-3-O-glucuronide</a> / <a href="/entries/PHUB001289">Protocatechuic acid-3-O-sulfate</a> / <a href="/entries/PHUB001290">Protocatechuic acid-4-O-glucuronide</a> / <a href="/entries/PHUB001291">Protocatechuic acid-4-O-sulfate</a> / <a href="/entries/PHUB000316">Vanillic acid</a> / <a href="/entries/PHUB001293">Vanillic acid 4-O-glucuronide</a> / <a href="/entries/PHUB001294">Vanillic acid-4-O-sulfate</a> / <a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000503">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="504"><td></td><td><a href="/entries/PHUB000504">Cyanidin 3-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000504</td><td>504</td><td>595.165746718</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyran; Cyanidin 3-O-rhamnosylglucoside; Cyanidin 3-rhamnoglucoside</td><td class="structure"><img data-src="/structures/PHUB000504/image.svg" src="" /></td><td>USNPULRDBDVJAO-NNWGXVDZSA-O</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,5R)-3,4,5-trihydroxy-6-({[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>595.529</td><td>8.95e-01 g/l</td><td>0.66</td><td>-2.85</td><td>InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9?,18?,19-,20+,21-,22?,23?,24?,26+,27+/m1/s1</td><td>CC1O[C@H](OCC2O[C@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(O)C(O)[C@H]2O)C(O)[C@H](O)[C@@H]1O</td><td>-3.676496932449043</td><td>6.3883291566430795</td><td><a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/129">Redcurrant</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/147">Sweet cherry</a></td><td><a href="/entries/PHUB001295">Isopeonidin 3-rutinoside</a> / <a href="/entries/PHUB001296">Peonidin 3-rutinoside</a> / <a href="/entries/PHUB000504">Cyanidin 3-O-rutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000504">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="505"><td></td><td><a href="/entries/PHUB000505">Pelargonidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000505</td><td>505</td><td>271.060099874</td><td>C<sub>15</sub>H<sub>11</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000505/image.svg" src="" /></td><td>XVFMGWDSJLBXDZ-UHFFFAOYSA-O</td><td></td><td>3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>271.247</td><td>3.10e-02 g/l</td><td>2.94</td><td>-4.00</td><td>InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1</td><td>OC1=CC=C(C=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O</td><td>-5.5801848584759615</td><td>6.0316862465563394</td><td><a href="/food_sources/169">Acerola</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB001254">3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001255">4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001256">4-(1-Carboxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001303">Pelargonidin glucuronide</a> / <a href="/entries/PHUB001304">Pelargonidin sulfate</a> / <a href="/entries/PHUB000505">Pelargonidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000505">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="506"><td></td><td><a href="/entries/PHUB000506">Pelargonidin 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000506</td><td>506</td><td>433.112923296</td><td>C<sub>21</sub>H<sub>21</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride; 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride; 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium; 3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-β-D-Glucopyranoside; callistephin; Pelargonidin 3-glucoside; pelargonidin 3-O-β-D-glucoside; Pelargonidin-3-glucopyranoside</td><td class="structure"><img data-src="/structures/PHUB000506/image.svg" src="" /></td><td>ABVCUBUIXWJYSE-UNJWAJPSSA-O</td><td>18466-51-8</td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>433.388</td><td>4.61e-01 g/l</td><td>1.13</td><td>-3.01</td><td>InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m0/s1</td><td>OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810923799280262</td><td>6.396818378835825</td><td><a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB001254">3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001255">4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001256">4-(1-Carboxyphenyl)beta-D-glucuronic acid</a> / <a href="/entries/PHUB001303">Pelargonidin glucuronide</a> / <a href="/entries/PHUB001304">Pelargonidin sulfate</a> / <a href="/entries/PHUB000506">Pelargonidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000506">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="507"><td></td><td><a href="/entries/PHUB000507">1,2,2'-Triferuloylgentiobiose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000507</td><td>507</td><td>870.258243881</td><td>C<sub>42</sub>H<sub>46</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000507/image.svg" src="" /></td><td>KHUQBGCNTVZZRF-ZOWBABNGSA-N</td><td></td><td>6-{[(4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>870.81</td><td>4.53e-02 g/l</td><td>2.76</td><td>-4.28</td><td>InChI=1S/C42H46O20/c1-54-27-16-21(4-10-24(27)44)7-13-32(47)60-39-37(52)35(50)30(19-43)58-41(39)57-20-31-36(51)38(53)40(61-33(48)14-8-22-5-11-25(45)28(17-22)55-2)42(59-31)62-34(49)15-9-23-6-12-26(46)29(18-23)56-3/h4-18,30-31,35-46,50-53H,19-20H2,1-3H3/b13-7+,14-8+,15-9+</td><td>COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C(O)C(O)C2OC(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O</td><td>-2.981084069384999</td><td>9.3900653589517</td><td><a href="/food_sources/19">Broccoli</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000507">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="508"><td></td><td><a href="/entries/PHUB000508">1,2,2'-Trisinapoylgentiobiose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000508</td><td>508</td><td>960.289937934</td><td>C<sub>45</sub>H<sub>52</sub>O<sub>23</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000508/image.svg" src="" /></td><td>HVHNDGOZMSAQDC-SRDSWEMOSA-N</td><td></td><td>2-{[3,4-dihydroxy-5,6-bis({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate</td><td>960.888</td><td>5.81e-02 g/l</td><td>2.84</td><td>-4.22</td><td>InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+</td><td>COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O</td><td>-2.981084069384999</td><td>8.811359787913212</td><td><a href="/food_sources/19">Broccoli</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000508">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="509"><td></td><td><a href="/entries/PHUB000509">1,2-Diferuloylgentiobiose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000509</td><td>509</td><td>694.210899764</td><td>C<sub>32</sub>H<sub>38</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000509/image.svg" src="" /></td><td>DTGPXHDRUSYIIK-NXZHAISVSA-N</td><td></td><td>4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>694.639</td><td>4.19e-01 g/l</td><td>0.82</td><td>-3.22</td><td>InChI=1S/C32H38O17/c1-43-19-11-15(3-7-17(19)34)5-9-23(36)48-30-28(41
8)26(39)22(14-45-31-29(42)27(40)25(38)21(13-33)46-31)47-32(30)49-24(37)10-6-16-4-8-18(35)20(12-16)44-2/h3-12,21-22,25-35,38-42H,13-14H2,1-2H3/b9-5+,10-6+</td><td>COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O</td><td>-2.981083422322401</td><td>9.5652317815449</td><td><a href="/food_sources/19">Broccoli</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000509">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="510"><td></td><td><a href="/entries/PHUB000510">1,2'-Disinapoyl-2-feruloylgentiobiose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000510</td><td>510</td><td>930.27937325</td><td>C<sub>44</sub>H<sub>50</sub>O<sub>22</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000510/image.svg" src="" /></td><td>AZUSMVXIHUPOCX-UQYOVKQCSA-N</td><td></td><td>2-[(3,4-dihydroxy-6-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate</td><td>930.862</td><td>5.27e-02 g/l</td><td>2.79</td><td>-4.25</td><td>InChI=1S/C44H50O22/c1-56-25-14-21(6-10-24(25)46)7-11-32(47)65-42-40(55)38(53)31(63-44(42)66-34(49)13-9-23-17-28(59-4)36(51)29(18-23)60-5)20-61-43-41(39(54)37(52)30(19-45)62-43)64-33(48)12-8-22-15-26(57-2)35(50)27(16-22)58-3/h6-18,30-31,37-46,50-55H,19-20H2,1-5H3/b11-7+,12-8+,13-9+</td><td>COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O</td><td>-2.981084069384999</td><td>8.93360873977877</td><td><a href="/food_sources/19">Broccoli</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000510">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="511"><td></td><td><a href="/entries/PHUB000511">1,2-Disinapoylgentiobiose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000511</td><td>511</td><td>754.232029132</td><td>C<sub>34</sub>H<sub>42</sub>O<sub>19</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000511/image.svg" src="" /></td><td>MBGNTECDWBKCKH-KQQUZDAGSA-N</td><td></td><td>4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate</td><td>754.691</td><td>3.36e-01 g/l</td><td>0.89</td><td>-3.35</td><td>InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)28(41)22(14-49-33-31(44)29(42)27(40)21(13-35)50-33)51-34(32)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5+,8-6+</td><td>COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O</td><td>-2.981083422322401</td><td>8.987170695214031</td><td><a href="/food_sources/19">Broccoli</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000511">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="512"><td></td><td><a href="/entries/PHUB000512">1,3-Dicaffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000512</td><td>512</td><td>516.126776213</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3-O-Dicaffeoylquinic acid; Cynarin</td><td class="structure"><img data-src="/structures/PHUB000512/image.svg" src="" /></td><td>YDDUMTOHNYZQPO-FCXRPNKRSA-N</td><td>30964-13-7</td><td>1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid</td><td>516.455</td><td>1.37e-01 g/l</td><td>2.07</td><td>-3.58</td><td>InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+</td><td>OC1CC(CC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1O)(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O</td><td>-3.23256292481747</td><td>3.184533116763618</td><td><a href="/food_sources/219">Globe artichoke</a></td><td><a href="/entries/PHUB002470">1,5-Diferuloylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000512">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="513"><td></td><td><a href="/entries/PHUB000513">1,5-Dicaffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>1,5-Dicaffeoylquinic acid</td><td>PHUB000513</td><td>513</td><td>516.126776213</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>1,3-dicaffeoylquinic acid; 1,5-Di-O-caffeoylquinic acid; Cynarin</td><td class="structure"><img data-src="/structures/PHUB000513/image.svg" src="" /></td><td>YDDUMTOHNYZQPO-AOHQRWFOSA-N</td><td>30964-13-7</td><td>(5S)-1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid</td><td>516.455</td><td>1.37e-01 g/l</td><td>2.07</td><td>-3.58</td><td>InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20?,23?,25?/m0/s1</td><td>O[C@H]1CC(CC(OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C1O)(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O</td><td>-3.23256292481747</td><td>3.184533116763618</td><td><a href="/food_sources/219">Globe artichoke</a></td><td><a href="/entries/PHUB002470">1,5-Diferuloylquinic acid</a> / <a href="/entries/PHUB000513">1,5-Dicaffeoylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000513">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="514"><td></td><td><a href="/entries/PHUB000514">1-O-Caffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000514</td><td>514</td><td>354.09508216</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Caffeoylquinic acid; Pseudochlorogenic acid</td><td class="structure"><img data-src="/structures/PHUB000514/image.svg" src="" /></td><td>GWTUHAXUUFROTF-DUXPYHPUSA-N</td><td>928005-87-2</td><td>1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexane-1-carboxylic acid</td><td>354.311</td><td>3.38e+00 g/l</td><td>0.18</td><td>-2.02</td><td>InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+</td><td>OC1CC(CC(O)C1O)(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O</td><td>-3.2318452769682886</td><td>3.2096099169934798</td><td><a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/147">Sweet cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000514">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="515"><td></td><td><a href="/entries/PHUB000515">1-Sinapoyl-2,2'-diferuloylgentiobiose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000515</td><td>515</td><td>900.268808566</td><td>C<sub>43</sub>H<sub>48</sub>O<sub>21</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000515/image.svg" src="" /></td><td>JULNRMTUIWVSQY-BHTVJVQFSA-N</td><td></td><td>6-{[(4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]methyl}-4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate</td><td>900.836</td><td>4.88e-02 g/l</td><td>2.81</td><td>-4.27</td><td>InChI=1S/C43H48O21/c1-55-26-15-21(5-10-24(26)45)7-12-32(47)62-40-38(53)36(51)30(19-44)60-42(40)59-20-31-37(52)39(54)41(63-33(48)13-8-22-6-11-25(46)27(16-22)56-2)43(61-31)64-34(49)14-9-23-17-28(57-3)35(50)29(18-23)58-4/h5-18,30-31,36-46,50-54H,19-20H2,1-4H3/b12-7+,13-8+,14-9+</td><td>COC1=CC(\C=C\C(=O)OC2C(OC(=O)\C=C\C3=CC(OC)=C(O)C(OC)=C3)OC(COC3OC(CO)C(O)C(O)C3OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C(O)C2O)=CC=C1O</td><td>-2.981084069384999</td><td>9.104369865528588</td><td><a href="/food_sources/19">Broccoli</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000515">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="516"><td></td><td><a href="/entries/PHUB000516">1-Sinapoyl-2-feruloylgentiobiose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000516</td><td>516</td><td>724.221464448</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000516/image.svg" src="" /></td><td>QYKVHEQRAXPEEL-XVYDYJIPSA-N</td><td></td><td>4,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate</td><td>724.665</td><td>3.70e-01 g/l</td><td>0.88</td><td>-3.29</td><td>InChI=1S/C33H40O18/c1-44-18-10-15(4-7-17(18)35)5-8-23(36)50-31-29(42)27(40)22(14-47-32-30(43)28(41)26(39)21(13-34)48-32)49-33(31)51-24(37)9-6-16-11-19(45-2)25(38)20(12-16)46-3/h4-12,21-22,26-35,38-43H,13-14H2,1-3H3/b8-5+,9-6+</td><td>COC1=CC(\C=C\C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC(OC)=C1O</td><td>-2.981083422322401</td><td>9.186297828852574</td><td><a href="/food_sources/19">Broccoli</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000516">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="517"><td></td><td><a href="/entries/PHUB000517">2,3-Dihydroxy-1-guaiacylpropanone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000517</td><td>517</td><td>212.068473486</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000517/image.svg" src="" /></td><td>UTXNRISXYKZJTH-UHFFFAOYSA-N</td><td></td><td>2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one</td><td>212.201</td><td>6.00e+00 g/l</td><td>0.06</td><td>-1.55</td><td>InChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,11-13H,5H2,1H3</td><td>COC1=C(O)C=CC(=C1)C(=O)C(O)CO</td><td>-3.01171507801625</td><td>8.165618181205488</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000517">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="518"><td></td><td><a href="/entries/PHUB000518">2,5-di-S-Glutathionyl caftaric acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000518</td><td>518</td><td>922.184444744</td><td>C<sub>33</sub>H<sub>42</sub>N<sub>6</sub>O<sub>21</sub>S<sub>2</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000518/image.svg" src="" /></td><td>GZSQKAREDMZRNC-LZCJLJQNSA-N</td><td></td><td>2-{[(2E)-3-[2,5-bis({[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl})-3,4-dihydroxyphenyl]prop-2-enoyl]oxy}-3-hydroxybutanedioic acid</td><td>922.84</td><td>1.65e-01 g/l</td><td>-2.31</td><td>-3.75</td><td>InChI=1S/C33H42N6O21S2/c34-13(30(52)53)2-4-18(40)38-15(28(50)36-8-20(42)43)10-61-17-7-12(1-6-22(46)60-26(33(58)59)25(49)32(56)57)27(24(48)23(17)47)62-11-16(29(51)37-9-21(44)45)39-19(41)5-3-14(35)31(54)55/h1,6-7,13-16,25-26,47-49H,2-5,8-11,34-35H2,(H,36,50)(H,37,51)(H,38,40)(H,39,41)(H,42,43)(H,44,45)(H,52,53)(H,54,55)(H,56,57)(H,58,59)/b6-1+</td><td>NC(CCC(=O)NC(CSC1=CC(\C=C\C(=O)OC(C(O)C(O)=O)C(O)=O)=C(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=C1O)C(=O)NCC(O)=O)C(O)=O</td><td>9.613117142924935</td><td>1.3852627146320355</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000518">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="519"><td></td><td><a href="/entries/PHUB000519">24-Methylcholestanol ferulate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000519</td><td>519</td><td>578.433510348</td><td>C<sub>38</sub>H<sub>58</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000519/image.svg" src="" /></td><td>NLHPCZDTMWKEFC-GZTJUZNOSA-N</td><td></td><td>1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>578.878</td><td>5.10e-06 g/l</td><td>7.77</td><td>-8.05</td><td>InChI=1S/C38H58O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-11,16-17,22,24-26,28-33,39H,8-9,12-15,18-21,23H2,1-7H3/b17-11+</td><td>COC1=CC(\C=C\C(=O)OC2CCC3(C)C(CCC4C5CCC(C(C)CCC(C)C(C)C)C5(C)CCC34)C2)=CC=C1O</td><td>-4.888802912333213</td><td>9.867764383831734</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000519">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="520"><td></td><td><a href="/entries/PHUB000520">24-Methylcholesterol ferulate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000520</td><td>520</td><td>576.417860283</td><td>C<sub>38</sub>H<sub>56</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000520/image.svg" src="" /></td><td>SWIWTAJTJOYCTB-GZTJUZNOSA-N</td><td></td><td>1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>576.862</td><td>7.41e-06 g/l</td><td>7.93</td><td>-7.89</td><td>InChI=1S/C38H56O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-12,16-17,22,24-26,29-33,39H,8-9,13-15,18-21,23H2,1-7H3/b17-11+</td><td>COC1=CC(\C=C\C(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(C)C(C)C)=CC=C1O</td><td>-4.888809985284878</td><td>9.867762478436973</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000520">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="521"><td></td><td><a href="/entries/PHUB000521">24-Methylenecholestanol ferulate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000521</td><td>521</td><td>576.417860283</td><td>C<sub>38</sub>H<sub>56</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000521/image.svg" src="" /></td><td>DOIYKIUFHRPGDF-GZTJUZNOSA-N</td><td></td><td>9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>576.862</td><td>3.19e-05 g/l</td><td>7.44</td><td>-7.26</td><td>InChI=1S/C38H56O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-11,16-17,22,24,26,28-33,39H,3,8-9,12-15,18-21,23H2,1-2,4-7H3/b17-11+</td><td>COC1=CC(\C=C\C(=O)OC2CCC3(C)C(CCC4C5CCC(C(C)CCC(=C)C(C)C)C5(C)CCC34)C2)=CC=C1O</td><td>-4.888802912333213</td><td>9.867764383831734</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000521">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="522"><td></td><td><a href="/entries/PHUB000522">24-Methyllathosterol ferulate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000522</td><td>522</td><td>576.417860283</td><td>C<sub>38</sub>H<sub>56</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000522/image.svg" src="" /></td><td>OZCGBWSNAGOZDD-GZTJUZNOSA-N</td><td></td><td>1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>576.862</td><td>8.40e-06 g/l</td><td>8.86</td><td>-7.84</td><td>InChI=1S/C38H56O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-11,13,16-17,22,24-26,28-29,31-33,39H,8-9,12,14-15,18-21,23H2,1-7H3/b17-11+</td><td>COC1=CC(\C=C\C(=O)OC2CCC3(C)C(CC=C4C5CCC(C(C)CCC(C)C(C)C)C5(C)CCC34)C2)=CC=C1O</td><td>-4.888802916070585</td><td>9.86776438324966</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000522">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="523"><td></td><td><a href="/entries/PHUB000523">2-Methoxy-5-prop-1-enylphenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000523</td><td>523</td><td>164.083729626</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Methoxy-5-prop-1-enylbenzene</td><td class="structure"><img data-src="/structures/PHUB000523/image.svg" src="" /></td><td>LHJZSWVADJCBNI-ONEGZZNKSA-N</td><td></td><td>2-methoxy-5-[(1E)-prop-1-en-1-yl]phenol</td><td>164.204</td><td>1.48e+00 g/l</td><td>2.79</td><td>-2.04</td><td>InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3/b4-3+</td><td>COC1=C(O)C=C(\C=C\C)C=C1</td><td>-4.888191663183701</td><td>9.856368431075763</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000523">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="524"><td></td><td><a href="/entries/PHUB000524">2-S-Glutathionyl caftaric acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000524</td><td>524</td><td>617.116288355</td><td>C<sub>23</sub>H<sub>27</sub>N<sub>3</sub>O<sub>15</sub>S</td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000524/image.svg" src="" /></td><td>FRUUTAANUZUTPG-QHHAFSJGSA-N</td><td></td><td>2-{[(2E)-3-(2-{[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid</td><td>617.54</td><td>2.91e-01 g/l</td><td>-1.13</td><td>-3.33</td><td>InChI=1S/C23H27N3O15S/c24-10(21(35)36)3-5-13(28)26-11(20(34)25-7-14(29)30)8-42-19-9(1-4-12(27)16(19)32)2-6-15(31)41-18(23(39)40)17(33)22(37)38/h1-2,4,6,10-11,17-18,27,32-33H,3,5,7-8,24H2,(H,25,34)(H,26,28)(H,29,30)(H,35,36)(H,37,38)(H,39,40)/b6-2+</td><td>NC(CCC(=O)NC(CSC1=C(\C=C\C(=O)OC(C(O)C(O)=O)C(O)=O)C=CC(O)=C1O)C(=O)NCC(O)=O)C(O)=O</td><td>8.919995650342184</td><td>1.6684928784401194</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000524">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="525"><td></td><td><a href="/entries/PHUB000525">3,4-Dicaffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000525</td><td>525</td><td>516.126776213</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000525/image.svg" src="" /></td><td>UFCLZKMFXSILNL-FCXRPNKRSA-N</td><td></td><td>3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid</td><td>516.455</td><td>1.25e-01 g/l</td><td>2.05</td><td>-3.62</td><td>InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+</td><td>OC1CC(O)(CC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O</td><td>-3.2468791963783734</td><td>3.3113236711174387</td><td><a href="/food_sources/39">Coffee</a> / <a href="/food_sources/219">Globe artichoke</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000525">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="526"><td></td><td><a href="/entries/PHUB000526">3,4-Diferuloylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000526</td><td>526</td><td>544.158076342</td><td>C<sub>27</sub>H<sub>28</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000526/image.svg" src="" /></td><td>WCIDSNIXNCYSPH-NXZHAISVSA-N</td><td></td><td>1,3-dihydroxy-4,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid</td><td>544.509</td><td>5.63e-02 g/l</td><td>2.67</td><td>-3.99</td><td>InChI=1S/C27H28O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(31)38-22-14-27(35,26(33)34)13-19(30)25(22)39-24(32)10-6-16-4-8-18(29)21(12-16)37-2/h3-12,19,22,25,28-30,35H,13-14H2,1-2H3,(H,33,34)/b9-5+,10-6+</td><td>COC1=CC(\C=C\C(=O)OC2CC(O)(CC(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C(O)=O)=CC=C1O</td><td>-3.2468791963783734</td><td>3.308323347044816</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000526">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="527"><td></td><td><a href="/entries/PHUB000527">3',4'-Dihydroxyphenylacetic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3',4'-dihydroxyphenylacetic acid</td><td>PHUB000527</td><td>527</td><td>168.042258738</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Phenolic acids subclass not specified</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>2-(3,4-dihydroxyphenyl)acetic acid; 3,4-Dihydroxybenzeneacetic acid; 3,4-Dihydroxyphenylacetic acid; 3,4-dihydroxyphenylethanoic acid; DOPAC; Dopacetic acid; Homoprotocatechuic acid</td><td class="structure"><img data-src="/structures/PHUB000527/image.svg" src="" /></td><td>CFFZDZCDUFSOFZ-UHFFFAOYSA-N</td><td>102-32-9</td><td>2-(3,4-dihydroxyphenyl)acetic acid</td><td>168.148</td><td>7.23e+00 g/l</td><td>0.93</td><td>-1.37</td><td>InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)</td><td>OC(=O)CC1=CC(O)=C(O)C=C1</td><td>-6.289422625216583</td><td>3.6084358670447667</td><td><a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000527">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="528"><td></td><td><a href="/entries/PHUB000528">3,5-Dicaffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000528</td><td>528</td><td>516.126776213</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-di-O-caffeoyl quinic acid; 3,5-O-Dicaffeoylquinic acid</td><td class="structure"><img data-src="/structures/PHUB000528/image.svg" src="" /></td><td>KRZBCHWVBQOTNZ-FCXRPNKRSA-N</td><td></td><td>3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid</td><td>516.455</td><td>1.25e-01 g/l</td><td>2.05</td><td>-3.61</td><td>InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+</td><td>OC1C(CC(O)(CC1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)OC(=O)\C=C\C1=CC(O)=C(O)C=C1</td><td>-3.604069469527016</td><td>3.2760207075026906</td><td><a href="/food_sources/23">Carrot</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/219">Globe artichoke</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000528">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="529"><td></td><td><a href="/entries/PHUB000529">3,5-Diferuloylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000529</td><td>529</td><td>544.158076342</td><td>C<sub>27</sub>H<sub>28</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000529/image.svg" src="" /></td><td>MOMSOBSYYRIFOP-NXZHAISVSA-N</td><td></td><td>1,4-dihydroxy-3,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid</td><td>544.509</td><td>5.42e-02 g/l</td><td>2.65</td><td>-4.00</td><td>InChI=1S/C27H28O12/c1-36-19-11-15(3-7-17(19)28)5-9-23(30)38-21-13-27(35,26(33)34)14-22(25(21)32)39-24(31)10-6-16-4-8-18(29)20(12-16)37-2/h3-12,21-22,25,28-29,32,35H,13-14H2,1-2H3,(H,33,34)/b9-5+,10-6+</td><td>COC1=CC(\C=C\C(=O)OC2CC(O)(CC(OC(=O)\C=C\C3=CC=C(O)C(OC)=C3)C2O)C(O)=O)=CC=C1O</td><td>-3.604069469527016</td><td>3.271224540601231</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000529">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="530"><td></td><td><a href="/entries/PHUB000530">3-O-Caffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Caffeoylquinic acid</td><td>PHUB000530</td><td>530</td><td>354.09508216</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3-(3,4-Dihydroxycinnamoyl)quinic acid; 3-Caffeoylquinic acid; chlorogenic acid; Neochlorogenic acid</td><td class="structure"><img data-src="/structures/PHUB000530/image.svg" src="" /></td><td>CWVRJTMFETXNAD-DUXPYHPUSA-N</td><td>327-97-9</td><td>3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid</td><td>354.311</td><td>3.44e+00 g/l</td><td>0.17</td><td>-2.01</td><td>InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+</td><td>[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O</td><td>-3.2318239809154075</td><td>3.3338531471838464</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/337">Mate</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/147">Sweet cherry</a></td><td><a href="/entries/PHUB000530">3-O-Caffeoylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000530">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="531"><td></td><td><a href="/entries/PHUB000531">3-Feruloylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3- Feruloylquinic acid</td><td>PHUB000531</td><td>531</td><td>368.110732224</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB000531/image.svg" src="" /></td><td>RAGZUCNPTLULOL-HWKANZROSA-N</td><td>87099-72-7</td><td>1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>368.338</td><td>3.04e+00 g/l</td><td>0.23</td><td>-2.08</td><td>InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)1
85(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+</td><td>COC1=C(O)C=CC(\C=C\C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=C1</td><td>-3.2318239809154075</td><td>3.3306011433051217</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB000531">3-Feruloylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000531">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="532"><td></td><td><a href="/entries/PHUB000532">3-Methoxyacetophenone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000532</td><td>532</td><td>150.068079562</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-(3-methoxyphenyl)-ethanone; 3-Acetylanisole</td><td class="structure"><img data-src="/structures/PHUB000532/image.svg" src="" /></td><td>BAYUSCHCCGXLAY-UHFFFAOYSA-N</td><td></td><td>1-(3-methoxyphenyl)ethan-1-one</td><td>150.177</td><td>
81.05e+00 g/l</td><td>1.77</td><td>-2.15</td><td>InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3</td><td>COC1=CC(=CC=C1)C(C)=O</td><td>-4.83049813947291</td><td>15.95493464865582</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000532">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="533"><td></td><td><a href="/entries/PHUB000533">3-Methylcatechol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000533</td><td>533</td><td>124.052429498</td><td>C<sub>7</sub>H<sub>8</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Polyphenol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Methyl-1,2-benzenediol; 3-Methyl-1,2-dihydroxybenzene; 3-Methylpyrocatechin; 3-Methylpyrocatechol; Dihydroxytoluene</td><td class="structure"><img data-src="/structures/PHUB000533/image.svg" src="" /></td><td>PGSWEKYNAOWQDF-UHFFFAOYSA-N</td><td></td><td>3-methylbenzene-1,2-diol</td><td>124.139</td><td>3.67e+01 g/l</td><td>1.03</td><td>-0.53</td><td>InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3</td><td>CC1=C(O)C(O)=CC=C1</td><td>-6.269381942863431</td><td>9.594384881130571</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000533">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="534"><td></td><td><a href="/entries/PHUB000534">3-p-Coumaroylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000534</td><td>534</td><td>338.10016754</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(4-Hydroxycinnamoyl)quinic acid; 3-O-p-Coumaroylquinic acid; 3-pCoQA</td><td class="structure"><img data-src="/structures/PHUB000534/image.svg" src="" /></td><td>BMRSEYFENKXDIS-ZZXKWVIFSA-N</td><td>1899-30-5</td><td>1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>338.312</td><td>3.92e+00 g/l</td><td>0.13</td><td>-1.94</td><td>InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+</td><td>OC1CC(O)(CC(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O)C(O)=O</td><td>-3.2318239809154075</td><td>3.359492048541407</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/147">Sweet cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000534">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="535"><td></td><td><a href="/entries/PHUB000535">3-Sinapoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000535</td><td>535</td><td>398.121296908</td><td>C<sub>18</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000535/image.svg" src="" /></td><td>DTJWTKVKHOJHJK-ONEGZZNKSA-N</td><td></td><td>1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>398.364</td><td>1.50e+00 g/l</td><td>0.29</td><td>-2.42</td><td>InChI=1S/C18H22O10/c1-26-11-5-9(6-12(27-2)16(11)22)3-4-14(20)28-13-8-18(25,17(23)24)7-10(19)1
85(13)21/h3-6,10,13,15,19,21-22,25H,7-8H2,1-2H3,(H,23,24)/b4-3+</td><td>COC1=CC(\C=C\C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=CC(OC)=C1O</td><td>-3.2318239809154075</td><td>3.302686545538691</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000535">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="536"><td></td><td><a href="/entries/PHUB000536">4,5-Dicaffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000536</td><td>536</td><td>516.126776213</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000536/image.svg" src="" /></td><td>UFCLZKMFXSILNL-FCXRPNKRSA-N</td><td></td><td>3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid</td><td>516.455</td><td>1.25e-01 g/l</td><td>2.05</td><td>-3.62</td><td>InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+</td><td>OC1CC(O)(CC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O</td><td>-3.2468791963783734</td><td>3.3113236711174387</td><td><a href="/food_sources/39">Coffee</a> / <a href="/food_sources/219">Globe artichoke</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000536">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="537"><td></td><td><a href="/entries/PHUB000537">4-O-Caffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Caffeoylquinic acid</td><td>PHUB000537</td><td>537</td><td>354.09508216</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>4-Caffeoylquinic acid; Cryptochlorogenic acid</td><td class="structure"><img data-src="/structures/PHUB000537/image.svg" src="" /></td><td>GYFFKZTYYAFCTR-DUXPYHPUSA-N</td><td>905-99-7</td><td></td><td>354.311</td><td></td><td></td><td></td><td>InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+</td><td>[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O</td><td></td><td></td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/337">Mate</a> / <a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB000537">4-O-Caffeoylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000537">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="538"><td></td><td><a href="/entries/PHUB000538">4-Ethylcatechol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000538</td><td>538</td><td>138.068079562</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Polyphenol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Ethyl-1,2-benzenediol; 4-Ethyl-1,2-dihydroxybenzene; 4-Ethylpyrocatechin; 4-Ethylpyrocatechol</td><td class="structure"><img data-src="/structures/PHUB000538/image.svg" src="" /></td><td>HFLGBNBLMBSXEM-UHFFFAOYSA-N</td><td></td><td>4-ethylbenzene-1,2-diol</td><td>138.166</td><td>1.15e+01 g/l</td><td>1.74</td><td>-1.08</td><td>InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3</td><td>CCC1=CC(O)=C(O)C=C1</td><td>-6.247834647828773</td><td>9.523667549735649</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000538">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="539"><td></td><td><a href="/entries/PHUB000539">4-Ethylguaiacol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000539</td><td>539</td><td>152.083729626</td><td>C<sub>9</sub>H<sub>12</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000539/image.svg" src="" /></td><td>CHWNEIVBYREQRF-UHFFFAOYSA-N</td><td></td><td>4-ethyl-2-methoxyphenol</td><td>152.193</td><td>2.41e+00 g/l</td><td>2.36</td><td>-1.80</td><td>InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3</td><td>CCC1=CC(OC)=C(O)C=C1</td><td>-4.891012437808494</td><td>10.30026611860602</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000539">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="540"><td></td><td><a href="/entries/PHUB000540">4-Ethylphenol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000540</td><td>540</td><td>122.073164942</td><td>C<sub>8</sub>H<sub>10</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB000540/image.svg" src="" /></td><td>HXDOZKJGKXYMEW-UHFFFAOYSA-N</td><td></td><td>4-ethylphenol</td><td>122.167</td><td>6.15e+00 g/l</td><td>2.54</td><td>-1.30</td><td>InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3</td><td>CCC1=CC=C(O)C=C1</td><td>-5.43952216186662</td><td>10.319334469148892</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000540">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="541"><td></td><td><a href="/entries/PHUB000541">4-Feruloylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Feruloylquinic acid</td><td>PHUB000541</td><td>541</td><td>368.110732224</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB000541/image.svg" src="" /></td><td>VTMFDSJJVNQXLT-HWKANZROSA-N</td><td></td><td>1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>368.338</td><td>2.80e+00 g/l</td><td>0.23</td><td>-2.12</td><td>InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+</td><td>[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O</td><td>-3.2461604273068843</td><td>3.3901613220591775</td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB000541">4-Feruloylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000541">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="542"><td></td><td><a href="/entries/PHUB000542">p-Hydroxybenzaldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxybenzaldehyde</td><td>PHUB000542</td><td>542</td><td>122.036779433</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-Formylphenol</td><td class="structure"><img data-src="/structures/PHUB000542/image.svg" src="" /></td><td>RGHHSNMVTDWUBI-UHFFFAOYSA-N</td><td>123-08-0</td><td>4-hydroxybenzaldehyde</td><td>122.123</td><td>9.51e+00 g/l</td><td>1.27</td><td>-1.11</td><td>InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H</td><td>OC1=CC=C(C=O)C=C1</td><td>-7.095242156206047</td><td>7.320724001562799</td><td><a href="/food_sources/281">Vanilla</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000542">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="543"><td></td><td><a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Hydroxyphenylacetic acid</td><td>PHUB000543</td><td>543</td><td>152.047344118</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Phenolic acids subclass not specified</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>
8Phenylacetic acids</td><td>(4-Hydroxyphenyl)acetic acid; 2-(4'-Hydroxyphenyl)acetic acid; 4-Hydroxyphenylacetic acid; 4-hydroxyphenylethanoic acid</td><td class="structure"><img data-src="/structures/PHUB000543/image.svg" src="" /></td><td>XQXPVVBIMDBYFF-UHFFFAOYSA-N</td><td>156-38-7</td><td>2-(4-hydroxyphenyl)acetic acid</td><td>152.149</td><td>7.12e+00 g/l</td><td>0.93</td><td>-1.33</td><td>InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)</td><td>OC(=O)CC1=CC=C(O)C=C1</td><td>-5.958556388425476</td><td>3.9984367127077793</td><td><a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000543">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="544"><td></td><td><a href="/entries/PHUB000544">4-Methylcatechol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4-methyl-1,2-dihydroxybenzene</td><td>PHUB000544</td><td>544</td><td>124.052429498</td><td>C<sub>7</sub>H<sub>8</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Polyphenol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4-dihydroxytoluene; 4-Methyl-1,2-benzenediol; 4-Methyl-1,2-dihydroxybenzene; 4-Methylpyrocatechin; 4-Methylpyrocatechol; Homocatechol</td><td class="structure"><img data-src="/structures/PHUB000544/image.svg" src="" /></td><td>ZBCATMYQYDCTIZ-UHFFFAOYSA-N</td><td>452-86-8</td><td>4-methylbenzene-1,2-diol</td><td>124.139</td><td>3.79e+01 g/l</td><td>1.02</td><td>-0.52</td><td>InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3</td><td>CC1=CC(O)=C(O)C=C1</td><td>-6.244242730605077</td><td>9.552176595160123</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000544">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="545"><td></td><td><a href="/entries/PHUB000545">4-p-Coumaroylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000545</td><td>545</td><td>338.10016754</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000545/image.svg" src="" /></td><td>XWRHBGVVCOSNKO-ZZXKWVIFSA-N</td><td></td><td>1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>338.312</td><td>3.54e+00 g/l</td><td>0.12</td><td>-1.98</td><td>InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+</td><td>OC1CC(O)(CC(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O</td><td>-3.2461604273068594</td><td>3.401442035671778</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000545">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="546"><td></td><td><a href="/entries/PHUB000546">4-Sinapoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000546</td><td>546</td><td>398.121296908</td><td>C<sub>18</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000546/image.svg" src="" /></td><td>WKRKXTOYTASIOP-NSINOORBSA-N</td><td></td><td>1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>398.364</td><td>1.49e+00 g/l</td><td>0.28</td><td>-2.43</td><td>InChI=1S/C18H22O10/c1-26-12-5-9(6-13(27-2)15(12)22)3-4-14(21)28-16-10(19)7-18(25,17(23)24)8-11(16)20/h3-6,10-11,16,19-20,22,25H,7-8H2,1-2H3,(H,23,24)/b4-3+/t10?,11?,16?,18-</td><td>COC1=CC(\C=C\C(=O)OC2C(O)C[C@](O)(CC2O)C(O)=O)=CC(OC)=C1O</td><td>-3.246160427306909</td><td>3.379134653903912</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000546">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="547"><td></td><td><a href="/entries/PHUB000547">4-Vinylguaiacol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000547</td><td>547</td><td>150.068079562</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Methoxy-4-vinylphenol; 4-Vinyl-1,2-benzenediol; 2-Me ether; Hesperetol</td><td class="structure"><img data-src="/structures/PHUB000547/image.svg" src="" /></td><td>YOMSJEATGXXYPX-UHFFFAOYSA-N</td><td>7786-61-0</td><td>4-ethenyl-2-methoxyphenol</td><td>150.177</td><td>7.42e+00 g/l</td><td>1.84</td><td>-1.31</td><td>InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3</td><td>COC1=C(O)C=CC(C=C)=C1</td><td>-4.89373168768089</td><td>10.034622277956638</td><td><a href="/food_sources/14">Beer</a> / <a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000547">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="548"><td></td><td><a href="/entries/PHUB000548">4-Vinylphenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000548</td><td>548</td><td>120.057514878</td><td>C<sub>8</sub>H<sub>8</sub>O</td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000548/image.svg" src="" /></td><td>FUGYGGDSWSUORM-UHFFFAOYSA-N</td><td></td><td>4-ethenylphenol</td><td>120.151</td><td>8.40e+00 g/l</td><td>2.07</td><td>-1.16</td><td>InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2</td><td>OC1=CC=C(C=C)C=C1</td><td>-5.9454925385022825</td><td>9.564744411272942</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000548">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="549"><td></td><td><a href="/entries/PHUB000549">4-Vinylsyringol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000549</td><td>549</td><td>242.094294311</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000549/image.svg" src="" /></td><td>WBBHYMRWGHBXLS-BQYQJAHWSA-N</td><td></td><td>3-methoxy-5-[(1E)-2-phenylethenyl]benzene-1,2-diol</td><td>242.274</td><td>5.05e-02 g/l</td><td>3.16</td><td>-3.68</td><td>InChI=1S/C15H14O3/c1-18-14-10-12(9-13(16)15(14)17)8-7-11-5-3-2-4-6-11/h2-10,16-17H,1H3/b8-7+</td><td>COC1=CC(\C=C\C2=CC=CC=C2)=CC(O)=C1O</td><td>-4.905408123603908</td><td>8.964728457248892</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000549">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="550"><td></td><td><a href="/entries/PHUB000550">5-Feruloylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>5- Feruloylquinic acid</td><td>PHUB000550</td><td>550</td><td>368.110732224</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>5-O-Feruloylquinic acid</td><td class="structure"><img data-src="/structures/PHUB000550/image.svg" src="" /></td><td>RAGZUCNPTLULOL-HWKANZROSA-N</td><td></td><td>1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>368.338</td><td>3.04e+00 g/l</td><td>0.23</td><td>-2.08</td><td>InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+</td><td>COC1=C(O)C=CC(\C=C\C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=C1</td><td>-3.2318239809154075</td><td>3.3306011433051217</td><td><a href="/food_sources/23">Carrot</a> / <a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB000550">5-Feruloylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000550">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="552"><td></td><td><a href="/entries/PHUB000552">5-Heneicosylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-henicosylbenzene-1,3-diol</td><td>PHUB000552</td><td>552</td><td>404.365430786</td><td>C<sub>27</sub>H<sub>48</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000552/image.svg" src="" /></td><td>BLHLKJLSYHEOGY-UHFFFAOYSA-N</td><td>70110-59-7</td><td>5-henicosylbenzene-1,3-diol</td><td>404.679</td><td>5.06e-05 g/l</td><td>9.78</td><td>-6.90</td><td>InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/253">Quinoa</a> / <a href="/food_sources/135">Rye</a></td><td><a href="/entries/PHUB002135">5-Heneicosylresorcinol glucuronide</a> / <a href="/entries/PHUB000552">5-Heneicosylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000552">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="553"><td></td><td><a href="/entries/PHUB000553">5-Heptadecenylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000553</td><td>553</td><td>346.287180464</td><td>C<sub>23</sub>H<sub>38</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000553/image.svg" src="" /></td><td>DQSWQRFGZIJUCI-KTKRTIGZSA-N</td><td></td><td>5-[(8Z)-heptadec-8-en-1-yl]benzene-1,3-diol</td><td>346.555</td><td>1.64e-04 g/l</td><td>8.75</td><td>-6.33</td><td>InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h9-10,18-20,24-25H,2-8,11-17H2,1H3/b10-9-</td><td>CCCCCCCC\C=C/CCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.665057916048886</td><td>9.359032641616453</td><td><a href="/food_sources/135">Rye</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000553">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="554"><td></td><td><a href="/entries/PHUB000554">5-Heptadecylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-heptadecylbenzene-1,3-diol</td><td>PHUB000554</td><td>554</td><td>348.302830528</td><td>C<sub>23</sub>H<sub>40</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-heptadecylbenzene-1,3-diol; 5-N-Heptadecylresorcinol; Alkylresorcinol C17:0</td><td class="structure"><img data-src="/structures/PHUB000554/image.svg" src="" /></td><td>BBGNINPPDHJETF-UHFFFAOYSA-N</td><td>41442-57-3</td><td>5-heptadecylbenzene-1,3-diol</td><td>348.571</td><td>1.77e-04 g/l</td><td>8.79</td><td>-6.29</td><td>InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3</td><td>CCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td></td><td><a href="/entries/PHUB000554">5-Heptadecylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000554">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="555"><td></td><td><a href="/entries/PHUB000555">5-Nonadecenylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000555</td><td>555</td><td>374.318480592</td><td>C<sub>25</sub>H<sub>42</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000555/image.svg" src="" /></td><td>IFIOXWORGZJDKV-BQYQJAHWSA-N</td><td></td><td>5-[(12E)-nonadec-12-en-1-yl]benzene-1,3-diol</td><td>374.609</td><td></td><td></td><td></td><td>InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h7-8,20-22,26-27H,2-6,9-19H2,1H3/b8-7+</td><td>CCCCCC\C=C\CCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/135">Rye</a></td><td><a href="/entries/PHUB002921">5-(2-Carboxynonadecyl)-resorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000555">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="556"><td></td><td><a href="/entries/PHUB000556">5-Nonadecylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-Nonadecylbenzene-1,3-diol</td><td>PHUB000556</td><td>556</td><td>376.334130657</td><td>C<sub>25</sub>H<sub>44</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3-dihydroxy-5-nonadecylbenzene; 5-N-nonadecylresrocinol; 5-nonadecyl-1,3-benzenediol; 5-nonadecylbenzene-1,3-diol</td><td class="structure"><img data-src="/structures/PHUB000556/image.svg" src="" /></td><td>PUNOCEUUYUXUGR-UHFFFAOYSA-N</td><td>35176-46-6</td><td>5-nonadecylbenzene-1,3-diol</td><td>376.625</td><td>8.49e-05 g/l</td><td>9.33</td><td>-6.65</td><td>InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/253">Quinoa</a> / <a href="/food_sources/135">Rye</a></td><td><a href="/entries/PHUB001381">3-(3,5-Dihydroxyphenyl)propanoic acid</a> / <a href="/entries/PHUB000293">α-resorcylic acid</a> / <a href="/entries/PHUB002133">5-n-nonadecylresorcinol glucuronide</a> / <a href="/entries/PHUB002134">5-nonadecylresorcinol sulfate</a> / <a href="/entries/PHUB000556">5-Nonadecylresorcinol</a> / <a href="/entries/PHUB002895">5-(Nonadecenyl)-resorcinol glucuronide</a> / <a href="/entries/PHUB002896">5-(Nonadecenyl)-resorcinol sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000556">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="557"><td></td><td><a href="/entries/PHUB000557">5-O-Caffeoylshikimic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000557</td><td>557</td><td>336.084517475</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000557/image.svg" src="" /></td><td>QMPHZIPNNJOWQI-DUXPYHPUSA-N</td><td></td><td>5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid</td><td>336.296</td><td>
81.01e+00 g/l</td><td>1.17</td><td>-2.52</td><td>InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+</td><td>OC1C=C(CC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1O)C(O)=O</td><td>-3.3781757807714254</td><td>3.7416236005174373</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000557">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="558"><td></td><td><a href="/entries/PHUB000558">5-p-Coumaroylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000558</td><td>558</td><td>338.10016754</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000558/image.svg" src="" /></td><td>BMRSEYFENKXDIS-ZZXKWVIFSA-N</td><td></td><td>1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>338.312</td><td>3.92e+00 g/l</td><td>0.13</td><td>-1.94</td><td>InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+</td><td>OC1CC(O)(CC(OC(=O)\C=C\C2=CC=C(O)C=C2)C1O)C(O)=O</td><td>-3.2318239809154075</td><td>3.359492048541407</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000558">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="559"><td></td><td><a href="/entries/PHUB000559">5-Pentacosenylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-[(1E)-pentacos-1-en-1-yl]benzene-1,3-diol</td><td>PHUB000559</td><td>559</td><td>458.412380979</td><td>C<sub>31</sub>H<sub>54</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Alkylresorcinol 25:1</td><td class="structure"><img data-src="/structures/PHUB000559/image.svg" src="" /></td><td>GWQLLVCGSRKDFU-MDZDMXLPSA-N</td><td></td><td>5-[(16E)-pentacos-16-en-1-yl]benzene-1,3-diol</td><td>458.771</td><td></td><td></td><td></td><td>InChI=1S/C31H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h9-10,26-28,32-33H,2-8,11-25H2,1H3/b10-9+</td><td>CCCCCCCC\C=C\CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/135">Rye</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000559">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="560"><td></td><td><a href="/entries/PHUB000560">5-Pentacosylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-pentacosylbenzene-1,3-diol</td><td>PHUB000560</td><td>560</td><td>460.428031043</td><td>C<sub>31</sub>H<sub>56</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3-dihydroxy-5-pentacosylbenzene; 5-Pentacosyl-1,3-benzenediol; Alkylresorcinol C25:0</td><td class="structure"><img data-src="/structures/PHUB000560/image.svg" src="" /></td><td>GDJMJAKVVSGNLA-UHFFFAOYSA-N</td><td>70110-61-1</td><td>5-pentacosylbenzene-1,3-diol</td><td>460.787</td><td>2.46e-05 g/l</td><td>10.40</td><td>-7.27</td><td>InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/13">Barley</a> / <a href="/food_sources/135">Rye</a></td><td><a href="/entries/PHUB000560">5-Pentacosylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000560">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="561"><td></td><td><a href="/entries/PHUB000561">5-Pentadecylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-pentadecylbenzene-1,3-diol</td><td>PHUB000561</td><td>561</td><td>320.271530399</td><td>C<sub>21</sub>H<sub>36</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-N-Pentadecylresorcinol; 5-Pentadecyl-1,3-benzenediol; Adipostatin A; Cardol</td><td class="structure"><img data-src="/structures/PHUB000561/image.svg" src="" /></td><td>KVVSCMOUFCNCGX-UHFFFAOYSA-N</td><td>3158-56-3</td><td>5-pentadecylbenzene-1,3-diol</td><td>320.517</td><td>3.83e-04 g/l</td><td>8.18</td><td>-5.92</td><td>InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3</td><td>CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/135">Rye</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000561">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="562"><td></td><td><a href="/entries/PHUB000562">5-Sinapoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000562</td><td>562</td><td>398.121296908</td><td>C<sub>18</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000562/image.svg" src="" /></td><td>DTJWTKVKHOJHJK-ONEGZZNKSA-N</td><td></td><td>1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>398.364</td><td>1.50e+00 g/l</td><td>0.29</td><td>-2.42</td><td>InChI=1S/C18H22O10/c1-26-11-5-9(6-12(27-2)16(11)22)3-4-14(20)28-13-8-18(25,17(23)24)7-10(19)15(13)21/h3-6,10,13,15,19,21-22,25H,7-8H2,1-2H3,(H,23,24)/b4-3+</td><td>COC1=CC(\C=C\C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=CC(OC)=C1O</td><td>-3.2318239809154075</td><td>3.302686545538691</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000562">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="563"><td></td><td><a href="/entries/PHUB000563">5-Tricosenylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-[(1E)-tricos-1-en-1-yl]benzene-1,3-diol</td><td>PHUB000563</td><td>563</td><td>430.38108085</td><td>C<sub>29</sub>H<sub>50</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000563/image.svg" src="" /></td><td>HCKGEGWZMPPSSN-BQYQJAHWSA-N</td><td></td><td>5-[(16E)-tricos-16-en-1-yl]benzene-1,3-diol</td><td>430.717</td><td></td><td></td><td></td><td>InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h7-8,24-26,30-31H,2-6,9-23H2,1H3/b8-7+</td><td>CCCCCC\C=C\CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/135">Rye</a> / <a href="/food_sources/291">Whole wheat bread</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000563">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="564"><td></td><td><a href="/entries/PHUB000564">5-Tricosylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-tricosylbenzene-1,3-diol</td><td>PHUB000564</td><td>564</td><td>432.396730914</td><td>C<sub>29</sub>H<sub>52</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3-dihydroxy-5-n-tricosylbenzene; 1,3-dihydroxy-5-tricosylbenzene; 5-n-tricosylresorcinol; 5-tricosyl-1,3-benzenediol</td><td class="structure"><img data-src="/structures/PHUB000564/image.svg" src="" /></td><td>OHTBGMREZYLZQD-UHFFFAOYSA-N</td><td>70110-60-0</td><td>5-tricosylbenzene-1,3-diol</td><td>432.733</td><td>3.35e-05 g/l</td><td>10.15</td><td>-7.11</td><td>InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/13">Barley</a> / <a href="/food_sources/253">Quinoa</a> / <a href="/food_sources/135">Rye</a> / <a href="/food_sources/291">Whole wheat bread</a></td><td><a href="/entries/PHUB000564">5-Tricosylresorcinol</a> / <a href="/entries/PHUB002899">5-(Tri-14Z,17Z-cosadienyl)-resorcinol glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000564">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="565"><td></td><td><a href="/entries/PHUB000565">Acetyl eugenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000565</td><td>565</td><td>206.094294311</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Allyl-2-methoxyphenol acetate; Eugenol acetate</td><td class="structure"><img data-src="/structures/PHUB000565/image.svg" src="" /></td><td>SCCDQYPEOIRVGX-UHFFFAOYSA-N</td><td></td><td>2-methoxy-4-(prop-2-en-1-yl)phenyl acetate</td><td>206.241</td><td>1.51e-01 g/l</td><td>3.00</td><td>-3.14</td><td>InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3</td><td>COC1=C(OC(C)=O)C=CC(CC=C)=C1</td><td>-4.901685759396831</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000565">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="566"><td></td><td><a href="/entries/PHUB000566">Anethole</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000566</td><td>566</td><td>148.088815006</td><td>C<sub>10</sub>H<sub>12</sub>O</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Methoxy-4-prop-1-enylbenzene; 4-Propenylanisole; Isoestragole</td><td class="structure"><img data-src="/structures/PHUB000566/image.svg" src="" /></td><td>RUVINXPYWBROJD-ONEGZZNKSA-N</td><td></td><td>1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene</td><td>148.205</td><td>1.77e-01 g/l</td><td>3.40</td><td>-2.92</td><td>InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+</td><td>COC1=CC=C(\C=C\C)C=C1</td><td>-4.822404266999745</td><td></td><td><a href="/food_sources/271">Star anise</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000566">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="567"><td></td><td><a href="/entries/PHUB000567">Anisaldehyde (p-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000567</td><td>567</td><td>136.052429498</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Methoxybenzoic aldehyde; Anisic aldehyde</td><td class="structure"><img data-src="/structures/PHUB000567/image.svg" src="" /></td><td>ZRSNZINYAWTAHE-UHFFFAOYSA-N</td><td></td><td>4-methoxybenzaldehyde</td><td>136.15</td><td>1.71e+00 g/l</td><td>1.64</td><td>-1.90</td><td>InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3</td><td>COC1=CC=C(C=O)C=C1</td><td>-4.835276846406351</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000567">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="568"><td></td><td><a href="/entries/PHUB000568">Arbutin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000568</td><td>568</td><td>272.089602855</td><td>C<sub>12</sub>H<sub>16</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Hydroquinone-beta-D-glucopyranoside; Quinol beta-D-glucoside</td><td class="structure"><img data-src="/structures/PHUB000568/image.svg" src="" /></td><td>BJRNKVDFDLYUGJ-RMPHRYRLSA-N</td><td></td><td>(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol</td><td>272.253</td><td>3.91e+01 g/l</td><td>-1.36</td><td>-0.84</td><td>InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810923436865826</td><td>9.820455894002922</td><td><a href="/food_sources/112">Pear</a> / <a href="/food_sources/148">Sweet marjoram</a> / <a href="/food_sources/155">Wheat germ</a> / <a href="/food_sources/291">Whole wheat bread</a></td><td><a href="/entries/PHUB001307">Hydroquinone</a> / <a href="/entries/PHUB001309">Hydroquinone glucuronide</a> / <a href="/entries/PHUB001310">Hydroquinone sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000568">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="569"><td></td><td><a href="/entries/PHUB000569">Avenanthramide 2c</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000569</td><td>569</td><td>315.074287143</td><td>C<sub>16</sub>H<sub>13</sub>NO<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Aventhramides</td><td>Avenanthramide C; N-[3',4'-Dihydroxy-(E)-cinnamoyl]-5-hydroxyanthranilic acid</td><td class="structure"><img data-src="/structures/PHUB000569/image.svg" src="" /></td><td>IDUUXROOZBOOPH-QHHAFSJGSA-N</td><td></td><td>2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-5-hydroxybenzoic acid</td><td>315.281</td><td>8.57e-02 g/l</td><td>2.55</td><td>-3.57</td><td>InChI=1S/C16H13NO6/c18-10-3-4-12(11(8-10)16(22)23)17-15(21)6-2-9-1-5-13(19)14(20)7-9/h1-8,18-20H,(H,17,21)(H,22,23)/b6-2+</td><td>OC(=O)C1=CC(O)=CC=C1NC(=O)\C=C\C1=CC(O)=C(O)C=C1</td><td>-2.032265536964912</td><td>3.307118911932904</td><td></td><td><a href="/entries/PHUB002891">dihydroavenanthramide 2c</a> / <a href="/entries/PHUB000569">Avenanthramide 2c</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000569">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="570"><td></td><td><a href="/entries/PHUB000570">Avenanthramide 2f</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000570</td><td>570</td><td>329.089937207</td><td>C<sub>17</sub>H<sub>15</sub>NO<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Aventhramides</td><td>Avenanthramide A1; Avenanthramide B; N-[4'-Hydroxy-3'-methoxy-(E)-cinnamoyl]-5-hydroxyanthranilic acid</td><td class="structure"><img data-src="/structures/PHUB000570/image.svg" src="" /></td><td>JXFZHMCSCYADIX-XVNBXDOJSA-N</td><td></td><td>5-hydroxy-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]benzoic acid</td><td>329.308</td><td>2.40e-02 g/l</td><td>2.89</td><td>-4.14</td><td>InChI=1S/C17H15NO6/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)18-13-5-4-11(19)9-12(13)17(22)23/h2-9,19-20H,1H3,(H,18,21)(H,22,23)/b7-3+</td><td>COC1=C(O)C=CC(\C=C\C(=O)NC2=CC=C(O)C=C2C(O)=O)=C1</td><td>-2.031672753251153</td><td>3.3071193313077383</td><td></td><td><a href="/entries/PHUB000570">Avenanthramide 2f</a> / <a href="/entries/PHUB002974">dihydroavenanthramide 2f</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000570">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="571"><td></td><td><a href="/entries/PHUB000571">Avenanthramide 2p</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000571</td><td>571</td><td>299.079372523</td><td>C<sub>16</sub>H<sub>13</sub>NO<sub>5</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Aventhramides</td><td>Avenanthramide A; Avenanthramide A4; N-[4'-Hydroxy-(E)cinnamoyl]-5-hydroxyanthranilic acid</td><td class="structure"><img data-src="/structures/PHUB000571/image.svg" src="" /></td><td>QGUMNWHANDITDB-FPYGCLRLSA-N</td><td></td><td>5-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]benzoic acid</td><td>299.282</td><td>4.50e-02 g/l</td><td>2.96</td><td>-3.82</td><td>InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+</td><td>OC(=O)C1=CC(O)=CC=C1NC(=O)\C=C\C1=CC=C(O)C=C1</td><td>-2.0315529503969465</td><td>3.3071191264897113</td><td></td><td><a href="/entries/PHUB002890">dihydroavenanthramide 2p</a> / <a href="/entries/PHUB000571">Avenanthramide 2p</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000571">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="572"><td></td><td><a href="/entries/PHUB000572">Avenanthramide K</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000572</td><td>572</td><td>315.074287143</td><td>C<sub>16</sub>H<sub>13</sub>NO<sub>6</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>AVK; N-[3',4'-Dihydroxy-(E)-cinnamoyl]-4-hydroxyanthranilic acid</td><td class="structure"><img data-src="/structures/PHUB000572/image.svg" src="" /></td><td>OSILFOKGSJBVLY-QHHAFSJGSA-N</td><td></td><td>2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-4-hydroxybenzoic acid</td><td>315.281</td><td>8.67e-02 g/l</td><td>2.55</td><td>-3.56</td><td>InChI=1S/C16H13NO6/c18-10-3-4-11(16(22)23)12(8-10)17-15(21)6-2-9-1-5-13(19)14(20)7-9/h1-8,18-20H,(H,17,21)(H,22,23)/b6-2+</td><td>OC(=O)C1=CC=C(O)C=C1NC(=O)\C=C\C1=CC(O)=C(O)C=C1</td><td>-2.0685230336253135</td><td>3.867608748009035</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000572">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="573"><td></td><td><a href="/entries/PHUB000573">8,5'-Benzofuran diferulic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000573</td><td>573</td><td>386.10016754</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000573/image.svg" src="" /></td><td>JTHPLBUVRLOJBB-ZZXKWVIFSA-N</td><td></td><td>5-[(1E)-2-carboxyeth-1-en-1-yl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxylic acid</td><td>386.356</td><td>4.16e-02 g/l</td><td>2.99</td><td>-3.97</td><td>InChI=1S/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/b6-3+</td><td>COC1=C2OC(C(C(O)=O)C2=CC(\C=C\C(O)=O)=C1)C1=CC=C(O)C(OC)=C1</td><td>-4.441009014317584</td><td>3.071164274958778</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000573">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="574"><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3',4'-dihydroxycinnamic acid</td><td>PHUB000574</td><td>574</td><td>180.042258738</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3-(3,4-dihydroxyphenyl)acrylic acid; 3,4-Dihydroxycinnamic acid; 3,4-Dihydroxyphenylpropenic acid; trans-caffeic acid</td><td class="structure"><img data-src="/structures/PHUB000574/image.svg" src="" /></td><td>QAIPRVGONGVQAS-DUXPYHPUSA-N</td><td>331-39-5, 501-16-6</td><td>(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid</td><td>180.159</td><td>1.61e+00 g/l</td><td>1.67</td><td>-2.05</td><td>InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+</td><td>OC(=O)\C=C\C1=CC(O)=C(O)C=C1</td><td>-6.283746523508148</td><td>3.4517963199924626</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/168">Cider</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/61">Eggplant</a> / <a href="/food_sources/213">European cranberry</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/337">Mate</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/112">Pear</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/147">Sweet cherry</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/307">White wine grape</a></td><td><a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a> / <a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001165">Caffeic acid sulfoglucuronide</a> / <a href="/entries/PHUB000588">Coumaric acid (m-)</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001168">Dihydroferulic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001172">Ferulic acid sulfoglucuronide</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB001175">Hydroxybenzoic acid</a> / <a href="/entries/PHUB001176">α-hydroxyhippuric acid</a> / <a href="/entries/PHUB001177">4-Hydroxyphenylpropionic acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB000316">Vanillic acid</a> / <a href="/entries/PHUB001180">Vanilloyl-glycine</a> / <a href="/entries/PHUB000605">Phloretic acid</a> / <a href="/entries/PHUB001916">caffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001917">caffeic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001436">Dihydroferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001435">Dihydroferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001204">Dihydrocaffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001588">Dihydrocaffeic acid-3-sulfate</a> / <a href="/entries/PHUB001434">Dihydroisoferulic acid-3'-glucuronide</a> / <a href="/entries/PHUB001433">Dihydroisoferulic acid</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a> / <a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a> / <a href="/entries/PHUB001918">caffeic acid-4-O-sulfate</a> / <a href="/entries/PHUB001048">3'
8-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB000527">3',4'-Dihydroxyphenylacetic acid</a> / <a href="/entries/PHUB001753">3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate</a> / <a href="/entries/PHUB001046">3-(3',4'-Dihydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB000295">p-Hydroxybenzoic acid</a> / <a href="/entries/PHUB001334">4-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001752">4-Hydroxybenzoic acid -3-sulfate</a> / <a href="/entries/PHUB000583">Catechol</a> / <a href="/entries/PHUB001584">4-Hydroxymandelic acid</a> / <a href="/entries/PHUB000297">Benzoic acid</a> / <a href="/entries/PHUB001920">3'-Methoxy-4'-hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001921">3-Hydroxybenzoic acid-4-sulfate</a> / <a href="/entries/PHUB001078">3-Phenylpropionic acid</a> / <a href="/entries/PHUB001068">Phenylacetic acid</a> / <a href="/entries/PHUB000310">Protocatechuic acid</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB002438">Caffeic acid sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000574">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="575"><td></td><td><a href="/entries/PHUB000575">Caffeic acid 4-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000575</td><td>575</td><td>342.09508216</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000575/image.svg" src="" /></td><td>OHEYCHKLBCPRLZ-XJZYCVFKSA-N</td><td></td><td>(2E)-3-(3-hydroxy-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid</td><td>342.3</td><td>5.92e+00 g/l</td><td>-0.59</td><td>-1.76</td><td>InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10?,12-,13+,14-,15-/m1/s1</td><td>OCC1O[C@@H](OC2=C(O)C=C(\C=C\C(O)=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810923549038426</td><td>3.2708950275765813</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000575">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="576"><td></td><td><a href="/entries/PHUB000576">Caffeic acid ethyl ester</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000576</td><td>576</td><td>208.073558866</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Ethyl 3,4-dihydroxycinnamate; Ethyl caffeate</td><td class="structure"><img data-src="/structures/PHUB000576/image.svg" src="" /></td><td>WDKYDMULARNCIS-GQCTYLIASA-N</td><td></td><td>ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>208.213</td><td>8.10e-01 g/l</td><td>2.60</td><td>-2.41</td><td>InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+</td><td>CCOC(=O)\C=C\C1=CC(O)=C(O)C=C1</td><td>-6.283759908269715</td><td>9.208644817342979</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000576">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="577"><td></td><td><a href="/entries/PHUB000577">Caffeoyl aspartic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000577</td><td>577</td><td>279.074287143</td><td>C<sub>13</sub>H<sub>13</sub>NO<sub>6</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-aspartic acid</td><td class="structure"><img data-src="/structures/PHUB000577/image.svg" src="" /></td><td>FKBRNPNAUOXZMQ-ZZXKWVIFSA-N</td><td></td><td>2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butanedioic acid</td><td>279.248</td><td>4.21e-01 g/l</td><td>1.13</td><td>-2.82</td><td>InChI=1S/C13H13NO6/c15-9-4-1-8(2-5-9)3-6-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b6-3+</td><td>OC(=O)CC(NC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O</td><td>-0.6974415872570686</td><td>3.4548791483286494</td><td><a href="/food_sources/345">Cocoa</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000577">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="578"><td></td><td><a href="/entries/PHUB000578">Caffeoyl glucose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000578</td><td>578</td><td>342.09508216</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000578/image.svg" src="" /></td><td>WQSDYZZEIBAPIN-SKTDOXOGSA-N</td><td></td><td>(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>342.3</td><td>6.98e+00 g/l</td><td>-0.70</td><td>-1.69</td><td>InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m0/s1</td><td>OC[C@@H]1O[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810938220288765</td><td>9.207991379995423</td><td><a href="/food_sources/16">Blackcurrant</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000578">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="579"><td></td><td><a href="/entries/PHUB000579">Caffeoyl tartaric acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000579</td><td>579</td><td>312.048131966</td><td>C<sub>13</sub>H<sub>12</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Caftaric acid</td><td class="structure"><img data-src="/structures/PHUB000579/image.svg" src="" /></td><td>SWGKAHCIOQPKFW-LOMYTOQZSA-N</td><td></td><td>(2S,3S)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid</td><td>312.23</td><td>8.16e-01 g/l</td><td>1.68</td><td>-2.58</td><td>InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m0/s1</td><td>O[C@@H]([C@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O</td><td>-4.3456129955412335</td><td>2.9580286110976193</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000579">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="580"><td></td><td><a href="/entries/PHUB000580">Caftaric acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000580</td><td>580</td><td>312.048131966</td><td>C<sub>13</sub>H<sub>12</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-O-Caffeoyltartaric acid</td><td class="structure"><img data-src="/structures/PHUB000580/image.svg" src="" /></td><td>SWGKAHCIOQPKFW-DUXPYHPUSA-N</td><td>67879-58-7</td><td>2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid</td><td>312.23</td><td>8.16e-01 g/l</td><td>1.68</td><td>-2.58</td><td>InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+</td><td>[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC(C(O)C(O)=O)C(O)=O</td><td>-4.3456129955412335</td><td>2.9580286110976193</td><td><a href="/food_sources/75">Grape</a> / <a href="/food_sources/309">Grape juice</a> / <a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/140">Spinach</a></td><td><a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB000297">Benzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000580">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="581"><td></td><td><a href="/entries/PHUB000581">Campesteryl ferulate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000581</td><td>581</td><td>576.417860283</td><td>C<sub>38</sub>H<sub>56</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000581/image.svg" src="" /></td><td>SWIWTAJTJOYCTB-GZTJUZNOSA-N</td><td></td><td>1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>576.862</td><td>7.41e-06 g/l</td><td>7.93</td><td>-7.89</td><td>InChI=1S/C38H56O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-12,16-17,22,24-26,29-33,39H,8-9,13-15,18-21,23H2,1-7H3/b17-11+</td><td>COC1=CC(\C=C\C(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(C)C(C)C)=CC=C1O</td><td>-4.888809985284878</td><td>9.867762478436973</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000581">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="582"><td></td><td><a href="/entries/PHUB000582">Cardanol [(15:1)-]</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000582</td><td>582</td><td>302.260965715</td><td>C<sub>21</sub>H<sub>34</sub>O</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Anacardol; Ginkgol</td><td class="structure"><img data-src="/structures/PHUB000582/image.svg" src="" /></td><td>YLKVIMNNMLKUGJ-FPLPWBNLSA-N</td><td></td><td>3-[(8Z)-pentadec-8-en-1-yl]phenol</td><td>302.502</td><td>3.38e-05 g/l</td><td>8.76</td><td>-6.95</td><td>InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3/b8-7-</td><td>CCCCCC\C=C/CCCCCCCC1=CC(O)=CC=C1</td><td>-5.478421324745947</td><td>10.105147601678176</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000582">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="583"><td></td><td><a href="/entries/PHUB000583">Catechol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>Benzene-1,2-diol</td><td>PHUB000583</td><td>583</td><td>110.036779433</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>1,2-Dihydroxybenzene; benzene-1,2-diol; brenzcatechin; Hydroxyphenol; Pyrocatechol</td><td class="structure"><img data-src="/structures/PHUB000583/image.svg" src="" /></td><td>YCIMNLLNPGFGHC-UHFFFAOYSA-N</td><td>120-80-9</td><td>benzene-1,2-diol</td><td>110.112</td><td>7.50e+01 g/l</td><td>0.74</td><td>-0.17</td><td>InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H</td><td>OC1=C(O)C=CC=C1</td><td>-6.287220763519361</td><td>9.342309260967141</td><td><a href="/food_sources/39">Coffee</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000583">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="584"><td></td><td><a href="/entries/PHUB000584">Chicoric acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000584</td><td>584</td><td>474.07982602</td><td>C<sub>22</sub>H<sub>18</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dicaffeoyl tartaric acid</td><td class="structure"><img data-src="/structures/PHUB000584/image.svg" src="" /></td><td>YDDGKXBLOXEEMN-QFZCZCNSSA-N</td><td></td><td>(2S,3S)-2,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})butanedioic acid</td><td>474.374</td><td>4.30e-02 g/l</td><td>3.48</td><td>-4.04</td><td>InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m0/s1</td><td>OC(=O)[C@@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)[C@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O</td><td>-6.2837625258906975</td><td>2.7169409199418117</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000584">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="585"><td></td><td><a href="/entries/PHUB000585">5-O-Caffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-Caffeoylquinic acid</td><td>PHUB000585</td><td>585</td><td>354.09508216</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-(3,4-Dihydroxycinnamoyl)quinic acid; 5-Caffeoylquinic acid; Chlorogenic acid; Neochlorogenic acid</td><td class="structure"><img data-src="/structures/PHUB000585/image.svg" src="" /></td><td>CWVRJTMFETXNAD-DUXPYHPUSA-N</td><td>906-33-2</td><td>3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid</td><td>354.311</td><td>3.44e+00 g/l</td><td>0.17</td><td>-2.01</td><td>InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+</td><td>[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O</td><td>-3.2318239809154075</td><td>3.3338531471838464</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/168">Cider</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/61">Eggplant</a> / <a href="/food_sources/213">European cranberry</a> / <a href="/food_sources/64">European plum</a> / <a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/337">Mate</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/112">Pear</a> / <a href="/food_sources/122">Potato</a> / <a href="/food_sources/346">Roasted coffee</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/147">Sweet cherry</a> / <a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a> / <a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a> / <a href="/entries/PHUB000297">Benzoic acid</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB000585">5-O-Caffeoylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000585">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="586"><td></td><td><a href="/entries/PHUB000586">Cinnamic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>Cinnamic acid</td><td>PHUB000586</td><td>586</td><td>148.052429498</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3-Prenylacrylic acid; trans-cinnamic acid</td><td class="structure"><img data-src="/structures/PHUB000586/image.svg" src="" /></td><td>WBYWAXJHAXSJNI-VOTSOKGWSA-N</td><td>621-82-9, 140-10-3</td><td>(2E)-3-phenylprop-2-enoic acid</td><td>148.161</td><td>6.18e-01 g/l</td><td>2.38</td><td>-2.38</td><td>InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+</td><td>OC(=O)\C=C\C1=CC=CC=C1</td><td></td><td>4.31718769332087</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB000586">Cinnamic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000586">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="587"><td></td><td><a href="/entries/PHUB000587">Cinnamoyl glucose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000587</td><td>587</td><td>310.10525292</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000587/image.svg" src="" /></td><td>POOVYWIYTSHEES-XMEJZXEJSA-N</td><td></td><td>(2S,3S,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-phenylprop-2-enoate</td><td>310.302</td><td>9.42e+00 g/l</td><td>-0.40</td><td>-1.52</td><td>InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(15(20)21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+/t10-,12-,13+,14-,15-/m0/s1</td><td>OC[C@@H]1O[C@H](O)[C@@H](OC(=O)\C=C\C2=CC=CC=C2)[C@H](O)[C@H]1O</td><td>-2.981079852824804</td><td>11.30168425282899</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000587">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="588"><td></td><td><a href="/entries/PHUB000588">Coumaric acid (m-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-hydroxycinnamic acid </td><td>PHUB000588</td><td>588</td><td>164.047344118</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3-(3-hydroxyphenyl)acrylic acid; 3-coumaric acid; 3-Hydroxycinnamic acid; trans-3-coumaric acid</td><td class="structure"><img data-src="/structures/PHUB000588/image.svg" src="" /></td><td>KKSDGJDHHZEWEP-SNAWJCMRSA-N</td><td>588-30-7</td><td>(2E)-3-(3-hydroxyphenyl)prop-2-enoic acid</td><td>164.16</td><td>1.04e+00 g/l</td><td>1.71</td><td>-2.20</td><td>InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+</td><td>OC(=O)\C=C\C1=CC(O)=CC=C1</td><td>-5.971942929194903</td><td>3.8229114681096656</td><td><a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/168">Cider</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/167">Grapes</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/140">Spinach</a></td><td><a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001194">Coumaric acid-3'-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000588">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="589"><td></td><td><a href="/entries/PHUB000589">Coumaric acid (o-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2â-hydroxycinnamic acid</td><td>PHUB000589</td><td>589</td><td>164.047344118</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>2-Hydroxycinnamic acid; 3-(2-hydroxyphenyl)acrylic acid; trans-2-coumaric acid; trans-2-hydroxycinnamic acid</td><td class="structure"><img data-src="/structures/PHUB000589/image.svg" src="" /></td><td>PMOWTIHVNWZYFI-AATRIKPKSA-N</td><td>614-60-8</td><td>(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid</td><td>164.16</td><td>1.15e+00 g/l</td><td>1.90</td><td>-2.15</td><td>InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+</td><td>OC(=O)\C=C\C1=C(O)C=CC=C1</td><td>-6.042883115419331</td><td>3.845591042532155</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000589">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="590"><td></td><td><a href="/entries/PHUB000590">Coumaric acid (p-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-hydroxycinnamic acid</td><td>PHUB000590</td><td>590</td><td>164.047344118</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>(4-hydroxyphenyl)acrylic acid; 4-coumaric acid; 4-Hydroxycinnamic acid; p-coumaric acid; trans-4-hydroxycinnamic acid</td><td class="structure"><img data-src="/structures/PHUB000590/image.svg" src="" /></td><td>NGSWKAQJJWESNS-ZZXKWVIFSA-N</td><td>501-98-4</td><td>(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid</td><td>164.16</td><td>
81.02e+00 g/l</td><td>1.74</td><td>-2.21</td><td>InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+</td><td>OC(=O)\C=C\C1=CC=C(O)C=C1</td><td>-5.954717586543568</td><td>3.810198948389013</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/213">European cranberry</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/110">Peanut</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/163">Wheat bread</a></td><td><a href="/entries/PHUB001078">3-Phenylpropionic acid</a> / <a href="/entries/PHUB000297">Benzoic acid</a> / <a href="/entries/PHUB001198">Coumaric acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001199">Coumaric acid-4'-sulfate</a> / <a href="/entries/PHUB001200">Coumaric acid sulfoglucuronide (p-)</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB000605">Phloretic acid</a> / <a href="/entries/PHUB000295">p-Hydroxybenzoic acid</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000590">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="591"><td></td><td><a href="/entries/PHUB000591">Coumaric acid-4'-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000591</td><td>591</td><td>326.10016754</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-hydroxy-cinnamic acid-4-O-glucoside; trans-Coumaric acid glucoside</td><td class="structure"><img data-src="/structures/PHUB000591/image.svg" src="" /></td><td>LJFYQZQUAULRDF-FDGSXQGBSA-N</td><td></td><td>(2E)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid</td><td>326.301</td><td>5.08e+00 g/l</td><td>-0.35</td><td>-1.81</td><td>InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(O)=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343686506</td><td>3.531352886083869</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000591">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="592"><td></td><td><a href="/entries/PHUB000592">Coumaric acid ethyl ester (p-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000592</td><td>592</td><td>192.078644246</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000592/image.svg" src="" /></td><td>ZOQCEVXVQCPESC-VMPITWQZSA-N</td><td></td><td>ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate</td><td>192.214</td><td>1.08e+00 g/l</td><td>3.07</td><td>-2.25</td><td>InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+</td><td>[H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OCC</td><td>-5.954730954072977</td><td>9.398663017677137</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000592">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="593"><td></td><td><a href="/entries/PHUB000593">Coumaroyl glucose (p-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000593</td><td>593</td><td>326.10016754</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000593/image.svg" src="" /></td><td>DSNCQKUYZOSARM-AIABZAGBSA-N</td><td></td><td>(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate</td><td>326.301</td><td>8.20e+00 g/l</td><td>-0.51</td><td>-1.60</td><td>InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m0/s1</td><td>OC[C@@H]1O[C@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810938220288765</td><td>9.397567602150882</td><td><a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000593">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="594"><td></td><td><a href="/entries/PHUB000594">Coumaroyl glycolic acid (p-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000594</td><td>594</td><td>222.052823422</td><td>C<sub>11</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000594/image.svg" src="" /></td><td>RMPWEBYRPJQKNT-ZZXKWVIFSA-N</td><td></td><td>2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}acetic acid</td><td>222.196</td><td>3.71e-01 g/l</td><td>2.43</td><td>-2.78</td><td>InChI=1S/C11H10O5/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6,12H,7H2,(H,13,14)/b6-3+</td><td>OC(=O)COC(=O)\C=C\C1=CC=C(O)C=C1</td><td>-5.954732444560504</td><td>3.5191941612554594</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000594">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="595"><td></td><td><a href="/entries/PHUB000595">Coumaroyl malic acid (p-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000595</td><td>595</td><td>280.058302726</td><td>C<sub>13</sub>H<sub>12</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000595/image.svg" src="" /></td><td>QVPHNABUSKBIMG-ZZXKWVIFSA-N</td><td></td><td>2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid</td><td>280.232</td><td>1.42e-01 g/l</td><td>1.64</td><td>-3.29</td><td>InChI=1S/C13H12O7/c14-9-4-1-8(2-5-9)3-6-12(17)20-10(13(18)19)7-11(15)16/h1-6,10,14H,7H2,(H,15,16)(H,18,19)/b6-3+</td><td>OC(=O)CC(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O</td><td>-5.954733338576972</td><td>3.328720778262075</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000595">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="596"><td></td><td><a href="/entries/PHUB000596">Coumaroyl tartaric acid (p-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000596</td><td>596</td><td>296.053217346</td><td>C<sub>13</sub>H<sub>12</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>coutaric acid</td><td class="structure"><img data-src="/structures/PHUB000596/image.svg" src="" /></td><td>INYJZRKTYXTZHP-ZZXKWVIFSA-N</td><td></td><td>2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid</td><td>296.231</td><td>8.63e-01 g/l</td><td>1.49</td><td>-2.54</td><td>InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+</td><td>[H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OC(C(O)C(O)=O)C(O)=O</td><td>-4.345612995541209</td><td>3.151380429466035</td><td><a href="/food_sources/75">Grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000596">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="597"><td></td><td><a href="/entries/PHUB000597">Coumaroyl tyrosine (p-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000597</td><td>597</td><td>327.110672651</td><td>C<sub>18</sub>H<sub>17</sub>NO<sub>5</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>trans-Dideoxyclovamide</td><td class="structure"><img data-src="/structures/PHUB000597/image.svg" src="" /></td><td>LEEDEKWKJVUWGA-BJMVGYQFSA-N</td><td></td><td>3-(4-hydroxyphenyl)-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]propanoic acid</td><td>327.336</td><td>2.43e-02 g/l</td><td>2.35</td><td>-4.13</td><td>InChI=1S/C18H17NO5/c20-14-6-1-12(2-7-14)5-10-17(22)19-16(18(23)24)11-13-3-8-15(21)9-4-13/h1-10,16,20-21H,11H2,(H,19,22)(H,23,24)/b10-5+</td><td>OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)\C=C\C1=CC=C(O)C=C1</td><td>-0.6926163686548569</td><td>3.6323825558986464</td><td><a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000597">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="598"><td></td><td><a href="/entries/PHUB000598">Coumaroylquinic acid (p-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000598</td><td>598</td><td>338.10016754</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000598/image.svg" src="" /></td><td>XWRHBGVVCOSNKO-KOLZQLRYSA-N</td><td></td><td>(3S,5S)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>338.312</td><td>3.54e+00 g/l</td><td>0.12</td><td>-1.98</td><td>InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m0/s1</td><td>O[C@H]1CC(O)(C[C@H](O)C1OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O</td><td>-3.2461604273068594</td><td>3.401442035671778</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/165">Blueberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000598">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="599"><td></td><td><a href="/entries/PHUB000599">Danielone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000599</td><td>599</td><td>212.068473486</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,4'-dihydroxy-3',5'-dimethoxyacetophenone; 3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone; α-Hydroxyacetosyringone</td><td class="structure"><img data-src="/structures/PHUB000599/image.svg" src="" /></td><td> ZTBAPEIDNUHRNC-UHFFFAOYSA-N</td><td>90426-22-5</td><td>2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one</td><td>212.201</td><td>3.78e+00 g/l</td><td>0.63</td><td>-1.75</td><td>InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3</td><td> COc1cc(cc(OC)c1O)C(=O)CO</td><td>-3.332299526349352</td><td>7.623166399673008</td><td><a href="/food_sources/104">Papaya</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000599">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="600"><td></td><td><a href="/entries/PHUB000600">5,5'-Diferulic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000600</td><td>600</td><td>386.10016754</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000600/image.svg" src="" /></td><td>LBQZVWQOPFFQJI-GGWOSOGESA-N</td><td></td><td>(2E)-3-{5'-[(1E)-2-carboxyeth-1-en-1-yl]-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl}prop-2-enoic acid</td><td>386.356</td><td>1.12e-02 g/l</td><td>2.99</td><td>-4.54</td><td>InChI=1S/C20H18O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3-10,25-26H,1-2H3,(H,21,22)(H,23,24)/b5-3+,6-4+</td><td>COC1=C(O)C(=CC(\C=C\C(O)=O)=C1)C1=CC(\C=C\C(O)=O)=CC(OC)=C1O</td><td>-4.596798124256282</td><td>3.113179165520272</td><td><a href="/food_sources/13">Barley</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/100">Oat</a></td><td><a href="/entries/PHUB001147">5,5'-Dicaffeic acid</a> / <a href="/entries/PHUB001148">5,5'-Dihydroferulic acid</a> / <a href="/entries/PHUB001149">Caffeic acid-5-5-dihydrocaffeic acid</a> / <a href="/entries/PHUB001150">Ferulic acid-5-5-caffeic acid</a> / <a href="/entries/PHUB001151">Ferulic acid-5-5-dihydroferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000600">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="601"><td></td><td><a href="/entries/PHUB000601">8,5'-Diferulic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000601</td><td>601</td><td>386.10016754</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000601/image.svg" src="" /></td><td>DEPVSDIYICBTJE-SITOFEAGSA-N</td><td></td><td>(2E)-2-[5-(2-carboxyeth-1-en-1-yl)-2-hydroxy-3-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid</td><td>386.356</td><td>1.74e-02 g/l</td><td>3.11</td><td>-4.35</td><td>InChI=1S/C20H18O8/c1-27-16-9-11(3-5-15(16)21)8-14(20(25)26)13-7-12(4-6-18(22)23)10-17(28-2)19(13)24/h3-10,21,24H,1-2H3,(H,22,23)(H,25,26)/b6-4+,14-8+</td><td>
8[H]C(=C([H])C1=CC(\C(=C(\[H])C2=CC(OC)=C(O)C=C2)C(O)=O)=C(O)C(OC)=C1)C(O)=O</td><td>-4.595257607728987</td><td>2.932811383225274</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000601">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="602"><td></td><td><a href="/entries/PHUB000602">8-O-4'-Diferulic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000602</td><td>602</td><td>386.10016754</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>8-O-4 Diferulic acid</td><td class="structure"><img data-src="/structures/PHUB000602/image.svg" src="" /></td><td>GGCXWTMEZZGUFT-ZMCAKAGVSA-N</td><td></td><td>(2Z)-2-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid</td><td>386.356</td><td>1.03e-02 g/l</td><td>3.44</td><td>-4.58</td><td>InChI=1S/C20H18O8/c1-26-16-10-13(3-6-14(16)21)11-18(20(24)25)28-15-7-4-12(5-8-19(22)23)9-17(15)27-2/h3-11,21H,1-2H3,(H,22,23)(H,24,25)/b8-5+,18-11-</td><td>COC1=CC(\C=C(/OC2=CC=C(\C=C\C(O)=O)C=C2OC)C(O)=O)=CC=C1O</td><td>-4.509818330000829</td><td>2.7971322420808127</td><td><a href="/food_sources/13">Barley</a> / <a href="/food_sources/100">Oat</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000602">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="603"><td></td><td><a href="/entries/PHUB000603">Dicaffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000603</td><td>603</td><td>516.126776213</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000603/image.svg" src="" /></td><td>YDDUMTOHNYZQPO-KDBOUVDRSA-N</td><td></td><td>(1S,3S,4R,5S)-1,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylic acid</td><td>516.455</td><td>1.37e-01 g/l</td><td>2.07</td><td>-3.58</td><td>InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m0/s1</td><td>O[C@H]1C[C@@](C[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O</td><td>-3.23256292481747</td><td>3.184533116763618</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000603">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="604"><td></td><td><a href="/entries/PHUB000604">Dihydrocaffeic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3',4'-dihydroxyphenyl)propanoic acid</td><td>PHUB000604</td><td>604</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Phenolic acids subclass not specified</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>2,3-Dihydrocaffeic acid; 3-(3,4-dihydroxyphenyl)propanoic acid; 3-(3,4-dihydroxyphenyl)propionic acid; 3-(3',4'-Dihydroxyphenyl)propionic acid; 3,4-dihydroxy-dihydrocinnamic acid; 3,4-dihydroxybenzenepropanoic acid; hydrocaffeic acid</td><td class="structure"><img data-src="/structures/PHUB000604/image.svg" src="" /></td><td>DZAUWHJDUNRCTF-UHFFFAOYSA-N</td><td>1078-61-1</td><td>3-(3,4-dihydroxyphenyl)propanoic acid</td><td>182.175</td><td>2.62e+00 g/l</td><td>
81.04</td><td>-1.84</td><td>InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)</td><td>OC(=O)CCC1=CC(O)=C(O)C=C1</td><td>-6.289086658260411</td><td>3.8379150142223004</td><td><a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/168">Cider</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/167">Grapes</a> / <a href="/food_sources/87">Lemon</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/91">Lime</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/163">Wheat bread</a></td><td><a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB001204">Dihydrocaffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001205">Dihydrocaffeic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001206">Dihydrocaffeic acid-4'-sulfate</a> / <a href="/entries/PHUB001168">Dihydroferulic acid</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a> / <a href="/entries/PHUB000316">Vanillic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000604">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="605"><td></td><td><a href="/entries/PHUB000605">Phloretic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(4'-hydroxyphenyl)propanoic acid</td><td>PHUB000605</td><td>605</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(4-Hydroxyphenyl)propanoic acid; 3-(4'-Hydroxyphenyl)propionic acid; 4-Hydroxy-dihydrocinnamic acid; 4-Hydroxyphenylpropionic acid; Dihydro-p-coumaric acid; m-hydroxy-dihydrocinnamic acid; m-hydroxy-hydrocinnamic acid; p-Hydroxyphenylpropanoate</td><td class="structure"><img data-src="/structures/PHUB000605/image.svg" src="" /></td><td>NMHMNPHRMNGLLB-UHFFFAOYSA-N</td><td>501-97-3</td><td>3-(4-hydroxyphenyl)propanoic acid</td><td>166.176</td><td>2.71e+00 g/l</td><td>1.15</td><td>-1.79</td><td>InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)</td><td>OC(=O)CCC1=CC=C(O)C=C1</td><td>-5.958297991799354</td><td>4.214213970870649</td><td><a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000605">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="606"><td></td><td><a href="/entries/PHUB000606">Eugenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000606</td><td>606</td><td>164.083729626</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Methoxy-4-prop-2-enylbenzene; 4-Allylguaiacol; Eugenic acid</td><td class="structure"><img data-src="/structures/PHUB000606/image.svg" src="" /></td><td>RRAFCDWBNXTKKO-UHFFFAOYSA-N</td><td></td><td>2-methoxy-4-(prop-2-en-1-yl)phenol</td><td>164.204</td><td>1.44e+00 g/l</td><td>2.66</td><td>-2.06</td><td>InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3</td><td>COC1=CC(CC=C)=CC=C1O</td><td>-4.892303223457161</td><td>9.941818320747016</td><td><a href="/food_sources/12">Banana</a> / <a href="/food_sources/26">Cassia cinnamon</a> / <a href="/food_sources/36">Cinnamon</a> / <a href="/food_sources/37">Cloves</a> / <a href="/food_sources/52">Coriander</a> / <a href="/food_sources/99">Nutmeg</a> / <a href="/food_sources/145">Sweet basil</a> / <a href="/food_sources/148">Sweet marjoram</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000606">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="607"><td></td><td><a href="/entries/PHUB000607">Ferulaldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000607</td><td>607</td><td>178.062994182</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Hydroxy-3-methoxycinnamaldehyde; Coniferilaldehyde</td><td class="structure"><img data-src="/structures/PHUB000607/image.svg" src="" /></td><td>DKZBBWMURDFHNE-NSCUHMNNSA-N</td><td></td><td>(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal</td><td>178.187</td><td>1.47e+00 g/l</td><td>2.22</td><td>-2.08</td><td>InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+</td><td>COC1=C(O)C=CC(\C=C\C=O)=C1</td><td>-4.2891797272383405</td><td>9.515601076850212</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000607">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="608"><td></td><td><a href="/entries/PHUB000608">Ferulic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
84â-hydroxy-3â-methoxycinnamic acid</td><td>PHUB000608</td><td>608</td><td>194.057908802</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3-(4-hydroxy-3-methoxyphenyl)acrylic acid; 3-Methoxy-4-hydroxycinnamic acid; 4-Hydroxy-3-methoxycinnamic acid; 4â-hydroxy-3â-methoxycinnamic acid; trans-ferulic acid</td><td class="structure"><img data-src="/structures/PHUB000608/image.svg" src="" /></td><td>KSEBMYQBYZTDHS-HWKANZROSA-N</td><td>537-98-4</td><td>(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid</td><td>194.186</td><td>9.06e-01 g/l</td><td>1.58</td><td>-2.33</td><td>InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+</td><td>COC1=C(O)C=CC(\C=C\C(O)=O)=C1</td><td>-4.893961534479146</td><td>3.5753044752877954</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/15">Bilberry</a> / <a href="/food_sources/178">Black mulberry</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/199">Cocoa bean</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/40">Common bean</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/210">Date</a> / <a href="/food_sources/61">Eggplant</a> / <a href="/food_sources/213">European cranberry</a> / <a href="/food_sources/65">Fennel</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/221">Hard wheat</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/126">Rapeseed</a> / <a href="/food_sources/256">Red raspberry</a> / <a href="/food_sources/130">Rice</a> / <a href="/food_sources/134">Rosemary</a> / <a href="/food_sources/261">Rye bread</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/276">Tarragon</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/294">White wine</a></td><td><a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB000527">3',4'-Dihydroxyphenylacetic acid</a> / <a href="/entries/PHUB001218">veratric acid</a> / <a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a> / <a href="/entries/PHUB001078">3-Phenylpropionic acid</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001168">Dihydroferulic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001172">Ferulic acid sulfoglucuronide</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB000316">Vanillic acid</a> / <a href="/entries/PHUB001180">Vanilloyl-glycine</a> / <a href="/entries/PHUB000605">Phloretic acid</a> / <a href="/entries/PHUB000295">p-Hydroxybenzoic acid</a> / <a href="/entries/PHUB000310">Protocatechuic acid</a> / <a href="/entries/PHUB001431">Sinapic acid-O-sulfate</a> / <a href="/entries/PHUB001435">Dihydroferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001436">Dihydroferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001588">Dihydrocaffeic acid-3-sulfate</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB002435">Ferulic acid glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000608">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="609"><td></td><td><a href="/entries/PHUB000609">Ferulic acid-4'-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000609</td><td>609</td><td>356.110732224</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>trans-Ferulic acid glucoside</td><td class="structure"><img data-src="/structures/PHUB000609/image.svg" src="" /></td><td>IEMIRSXOYFWPFD-AIQOBFMNSA-N</td><td></td><td>(2E)-3-(3-methoxy-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid</td><td>356.327</td><td>4.91e+00 g/l</td><td>-0.29</td><td>-1.86</td><td>InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m0/s1</td><td>COC1=C(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=CC(\C=C\C(O)=O)=C1</td><td>-2.9810923549072026</td><td>3.3812605349989755</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000609">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="610"><td></td><td><a href="/entries/PHUB000610">Feruloyl glucose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000610</td><td>610</td><td>356.110732224</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000610/image.svg" src="" /></td><td>ADHNTNYEJYJUCU-ZSJFXSENSA-N</td><td></td><td>(3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>356.327</td><td>5.59e+00 g/l</td><td>-0.44</td><td>-1.80</td><td>InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-15-14(21)13(20)11(7-17)24-16(15)22/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C1</td><td>-2.981079852824804</td><td>9.852013844288805</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000610">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="611"><td></td><td><a href="/entries/PHUB000611">Feruloyl tartaric acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000611</td><td>611</td><td>326.063782031</td><td>C<sub>14</sub>H<sub>14</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Fertaric acid</td><td class="structure"><img data-src="/structures/PHUB000611/image.svg" src="" /></td><td>XIWXUSFCUBAMFH-SCBUBVSKSA-N</td><td></td><td>(2S,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid</td><td>326.257</td><td>6.39e-01 g/l</td><td>1.36</td><td>-2.71</td><td>InChI=1S/C14H14O9/c1-22-9-6-7(2-4-8(9)15)3-5-10(16)23-12(14(20)21)11(17)13(18)19/h2-6,11-12,15,17H,1H3,(H,18,19)(H,20,21)/b5-3+/t11-,12-/m0/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H]([C@H](O)C(O)=O)C(O)=O)=C1</td><td>-4.3456129955412335</td><td>2.951276504214371</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000611">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="612"><td></td><td><a href="/entries/PHUB000612">Gallic aldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000612</td><td>612</td><td>154.026608673</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4,5-Trihydroxybenzoic aldehyde</td><td class="structure"><img data-src="/structures/PHUB000612/image.svg" src="" /></td><td>RGZHEOWNTDJLAQ-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxybenzaldehyde</td><td>154.121</td><td>6.81e+00 g/l</td><td>0.73</td><td>-1.35</td><td>InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H</td><td>OC1=CC(C=O)=CC(O)=C1O</td><td>-6.032416396166855</td><td>6.962812589931787</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000612">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="613"><td></td><td><a href="/entries/PHUB000613">Gentisyl alcohol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000613</td><td>613</td><td>140.047344118</td><td>C<sub>7</sub>H<sub>8</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,5-Dihydrobenzyl alcohol; Gentisin alcohol</td><td class="structure"><img data-src="/structures/PHUB000613/image.svg" src="" /></td><td>PUZSUVGRVHEUQO-UHFFFAOYSA-N</td><td></td><td>2-(hydroxymethyl)benzene-1,4-diol</td><td>140.138</td><td>3.65e+01 g/l</td><td>-0.27</td><td>-0.58</td><td>InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2</td><td>OCC1=CC(O)=CC=C1O</td><td>-2.9568217452836736</td><td>9.720024764781542</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000613">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="614"><td></td><td><a href="/entries/PHUB000614">Gingerdione ([6]-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000614</td><td>614</td><td>292.167459253</td><td>C<sub>17</sub>H<sub>24</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000614/image.svg" src="" /></td><td>PNKMFYBIRZAWQN-OWBHPGMISA-N</td><td></td><td>(4Z)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one</td><td>292.375</td><td>4.50e-02 g/l</td><td>3.72</td><td>-3.81</td><td>InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-12,18,20H,3-7,9H2,1-2H3/b14-12-</td><td>CCCCC\C(O)=C\C(=O)CCC1=CC(OC)=C(O)C=C1</td><td>-4.830173673721828</td><td>9.179418969964066</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000614">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="615"><td></td><td><a href="/entries/PHUB000615">Gingerenone A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000615</td><td>615</td><td>356.162373873</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000615/image.svg" src="" /></td><td>FWDXZNKYDTXGOT-GQCTYLIASA-N</td><td></td><td>(4E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one</td><td>356.418</td><td>3.60e-03 g/l</td><td>4.24</td><td>-5.00</td><td>InChI=1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+</td><td>COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C=C2)=CC=C1O</td><td>-4.333693246420182</td><td>9.778192319167099</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000615">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="616"><td></td><td><a href="/entries/PHUB000616">Gingerol ([6]-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000616</td><td>616</td><td>294.183109317</td><td>C<sub>17</sub>H<sub>26</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one</td><td class="structure"><img data-src="/structures/PHUB000616/image.svg" src="" /></td><td>NLDDIKRKFXEWBK-AWEZNQCLSA-N</td><td></td><td>(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one</td><td>294.391</td><td>7.96e-02 g/l</td><td>3.45</td><td>-3.57</td><td>InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1</td><td>CCCCC[C@H](O)CC(=O)CCC1=CC=C(O)C(OC)=C1</td><td>-2.7614721709918255</td><td>9.94587314690063</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000616">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="617"><td></td><td><a href="/entries/PHUB000617">
8Homovanillic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-hydroxy-3'-methoxyphenylacetic acid</td><td>PHUB000617</td><td>617</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>(4-Hydroxy-3-methoxyphenyl)acetic acid; 3-Methoxy-4-hydroxyphenylacetate; 3-Methoxy-4-hydroxyphenylacetic acid; 3'-Methoxy-4'-hydroxyphenylacetic acid; 4-hydroxy-3-methoxyphanylethanoic acid; 4-Hydroxy-3-methoxyphenylacetic acid</td><td class="structure"><img data-src="/structures/PHUB000617/image.svg" src="" /></td><td>QRMZSPFSDQBLIX-UHFFFAOYSA-N</td><td>306-08-1</td><td>2-(4-hydroxy-3-methoxyphenyl)acetic acid</td><td>182.175</td><td></td><td></td><td></td><td>InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)</td><td>COC1=CC(CC(O)=O)=CC=C1O</td><td>-4.892538176084046</td><td>3.7448569898637887</td><td><a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000617">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="618"><td></td><td><a href="/entries/PHUB000618">Homoveratric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4-Dimethoxyphenylacetic acid</td><td>PHUB000618</td><td>618</td><td>196.073558866</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>2-(3,4-dimethoxyphenyl)acetic acid; 3,4-Dimethoxybenzeneacetic acid; 3,4-Dimethoxyphenylacetic acid</td><td class="structure"><img data-src="/structures/PHUB000618/image.svg" src="" /></td><td>WUAXWQRULBZETB-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dimethoxyphenyl)acetic acid</td><td>196.202</td><td>1.21e+00 g/l</td><td>1.58</td><td>-2.21</td><td>InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)</td><td>COC1=CC=C(CC(O)=O)C=C1OC</td><td>-4.5925778261371315</td><td>3.861393687418164</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000618">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="619"><td></td><td><a href="/entries/PHUB000619">Hydroxycaffeic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000619</td><td>619</td><td>196.037173358</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000619/image.svg" src="" /></td><td>RHGWNBSOWGUGPA-DUXPYHPUSA-N</td><td></td><td>(2E)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid</td><td>196.158</td><td>1.43e+00 g/l</td><td>1.48</td><td>-2.14</td><td>InChI=1S/C9H8O5/c10-6-3-1-5(2-4-7(11)12)8(13)9(6)14/h1-4,10,13-14H,(H,11,12)/b4-2+</td><td>[H]\C(=C(\[H])C1=C(O)C(O)=C(O)C=C1)C(O)=O</td><td>-5.978656611834138</td><td>3.1850928805181913</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000619">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="620"><td></td><td><a href="/entries/PHUB000620">Isochlorogenic acid b</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000620</td><td>620</td><td>514.147511657</td><td>C<sub>26</sub>H<sub>26</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000620/image.svg" src="" /></td><td>KWDHTKPGVPXTCW-OKXQOVHHSA-N</td><td></td><td>(1R,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxy-1-methylcyclohexane-1-carboxylic acid</td><td>514.483</td><td>2.83e-02 g/l</td><td>2.57</td><td>-4.26</td><td>InChI=1S/C26H26O11/c1-26(25(34)35)12-20(31)24(37-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)36-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31H,12-13H2,1H3,(H,34,35)/b8-4+,9-5+/t20-,21-,24-,26-/m1/s1</td><td>C[C@]1(C[C@@H](O)[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H](C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O</td><td>-3.2132830098053087</td><td>3.857039072417818</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000620">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="621"><td></td><td><a href="/entries/PHUB000621">Isoeugenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000621</td><td>621</td><td>164.083729626</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Propenylguaiacol</td><td class="structure"><img data-src="/structures/PHUB000621/image.svg" src="" /></td><td>BJIOGJUNALELMI-ONEGZZNKSA-N</td><td></td><td>2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol</td><td>164.204</td><td>1.36e+00 g/l</td><td>2.79</td><td>-2.08</td><td>InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+</td><td>COC1=CC(\C=C\C)=CC=C1O</td><td>-4.8937792336789006</td><td>10.013922795139589</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000621">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="622"><td></td><td><a href="/entries/PHUB000622">Isoferulic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3â-Hydroxy-4â-methoxycinnamic acid</td><td>PHUB000622</td><td>622</td><td>194.057908802</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3-(3-hydroxy-4-methoxyphenyl)acrylic acid; 3-hydroxy-4-methoxycinnamic acid; hesperetate; Hesperetic acid</td><td class="structure"><img data-src="/structures/PHUB000622/image.svg" src="" /></td><td>QURCVMIEKCOAJU-HWKANZROSA-N</td><td>537-73-5</td><td>(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid</td><td>194.186</td><td>8.71e-01 g/l</td><td>1.56</td><td>-2.35</td><td>InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+</td><td>COC1=C(O)C=C(\C=C\C(O)=O)C=C1</td><td>-4.889780750650177</td><td>3.5754283041637582</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000585">5-O-Caffeoylquinic acid</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a> / <a href="/entries/PHUB002642">Tomato (Poly)phenols</a> / <a href="/entries/PHUB002636">Blueberry (Poly)phenols</a> / <a href="/entries/PHUB002638">Cranberry (Poly)phenols</a> / <a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000622">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="623"><td></td><td><a href="/entries/PHUB000623">Melilotic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000623</td><td>623</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(2-Hydroxyphenyl)propionic acid; Dihydro-o-coumaric acid; o-Hydrocoumaric acid</td><td class="structure"><img data-src="/structures/PHUB000623/image.svg" src="" /></td><td>CJBDUOMQLFKVQC-UHFFFAOYSA-N</td><td></td><td>3-(2-hydroxyphenyl)propanoic acid</td><td>166.176</td><td>2.76e+00 g/l</td><td>1.12</td><td>-1.78</td><td>InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)</td><td>OC(=O)CCC1=CC=CC=C1O</td><td>-6.00242095777374</td><td>4.216609444542158</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000623">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="624"><td></td><td><a href="/entries/PHUB000624">Methoxyphenylacetic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000624</td><td>624</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000624/image.svg" src="" /></td><td>DIWVBIXQCNRCFE-UHFFFAOYSA-N</td><td></td><td>2-methoxy-2-phenylacetic acid</td><td>166.176</td><td>1.06e+01 g/l</td><td>0.77</td><td>-1.20</td><td>InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)</td><td>COC(C(O)=O)C1=CC=CC=C1</td><td>-4.225182669327596</td><td>3.861250005322003</td><td><a href="/food_sources/343">Olive, black</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000624">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="625"><td></td><td><a href="/entries/PHUB000625">Neochlorogenic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000625</td><td>625</td><td>354.09508216</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Caffeoylquinic acid</td><td class="structure"><img data-src="/structures/PHUB000625/image.svg" src="" /></td><td>CWVRJTMFETXNAD-DUXPYHPUSA-N</td><td></td><td>3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid</td><td>354.311</td><td>3.44e+00 g/l</td><td>0.17</td><td>-2.01</td><td>InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+</td><td>[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O</td><td>-3.2318239809154075</td><td>3.3338531471838464</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/147">Sweet cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000625">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="626"><td></td><td><a href="/entries/PHUB000626">Paeonol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000626</td><td>626</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2'-Hydroxy-4'-methoxyacetophenone</td><td class="structure"><img data-src="/structures/PHUB000626/image.svg" src="" /></td><td>UILPJVPSNHJFIK-UHFFFAOYSA-N</td><td></td><td>1-(2-hydroxy-4-methoxyphenyl)ethan-1-one</td><td>166.176</td><td>2.98e+00 g/l</td><td>1.60</td><td>-1.75</td><td>InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3</td><td>COC1=CC=C(C(C)=O)C(O)=C1</td><td>-4.847337048730731</td><td>9.054082275513046</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000626">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="627"><td></td><td><a href="/entries/PHUB000627">Paradol ([6]-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000627</td><td>627</td><td>278.188194697</td><td>C<sub>17</sub>H<sub>26</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000627/image.svg" src="" /></td><td>CZNLTCTYLMYLHL-UHFFFAOYSA-N</td><td></td><td>1-(4-hydroxy-3-methoxyphenyl)decan-3-one</td><td>278.392</td><td>1.13e-02 g/l</td><td>4.89</td><td>
8-4.39</td><td>InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3</td><td>CCCCCCCC(=O)CCC1=CC(OC)=C(O)C=C1</td><td>-4.890618725191209</td><td>9.945876306662475</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000627">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="628"><td></td><td><a href="/entries/PHUB000628">Phenethyl alcohol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000628</td><td>628</td><td>122.073164942</td><td>C<sub>8</sub>H<sub>10</sub>O</td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Benzyl alcohol; beta-Hydroxyethylbenzene</td><td class="structure"><img data-src="/structures/PHUB000628/image.svg" src="" /></td><td>WRMNZCZEMHIOCP-UHFFFAOYSA-N</td><td></td><td>2-phenylethan-1-ol</td><td>122.167</td><td>1.13e+01 g/l</td><td>1.51</td><td>-1.03</td><td>InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2</td><td>OCCC1=CC=CC=C1</td><td>-2.4130330705294574</td><td>15.88195457126324</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000628">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="629"><td></td><td><a href="/entries/PHUB000629">Phenethyl caffeate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000629</td><td>629</td><td>284.104858995</td><td>C<sub>17</sub>H<sub>16</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000629/image.svg" src="" /></td><td>SWUARLUWKZWEBQ-VQHVLOKHSA-N</td><td></td><td>2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>284.311</td><td>6.29e-02 g/l</td><td>3.65</td><td>-3.66</td><td>InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+</td><td>[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OCCC1=CC=CC=C1</td><td>-6.283759959158109</td><td>9.208642931081249</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000629">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="630"><td></td><td><a href="/entries/PHUB000630">Prenyl caffeate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000630</td><td>630</td><td>248.104858995</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000630/image.svg" src="" /></td><td>TTYOHMFLCXENHR-GQCTYLIASA-N</td><td></td><td>3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>248.278</td><td>1.57e-01 g/l</td><td>3.24</td><td>-3.20</td><td>InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+</td><td>CC(C)=CCOC(=O)\C=C\C1=CC=C(O)C(O)=C1</td><td>-6.283760878432917</td><td>9.208618521642132</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000630">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="631"><td></td><td><a href="/entries/PHUB000631">Protocatechuic aldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000631</td><td>631</td><td>138.031694053</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4-Dihydroxybenzoic aldehyde</td><td class="structure"><img data-src="/structures/PHUB000631/image.svg" src="" /></td><td>IBGBGRVKPALMCQ-UHFFFAOYSA-N</td><td></td><td>3,4-dihydroxybenzaldehyde</td><td>138.122</td><td>1.43e+01 g/l</td><td>0.89</td><td>-0.99</td><td>InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H</td><td>OC1=CC=C(C=O)C=C1O</td><td>-6.3251866246434325</td><td>7.459808177531965</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000631">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="632"><td></td><td><a href="/entries/PHUB000632">Pyrogallol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>1,2,3-Trihydroxybenzene</td><td>PHUB000632</td><td>632</td><td>126.031694053</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>1,2,3-Benzenetriol; 1,2,3-benzoltriol; 1,2,3-trihydroxyphenol; Pyrogallic acid</td><td class="structure"><img data-src="/structures/PHUB000632/image.svg" src="" /></td><td>WQGWDDDVZFFDIG-UHFFFAOYSA-N</td><td>87-66-1</td><td>benzene-1,2,3-triol</td><td>126.111</td><td>5.18e+01 g/l</td><td>0.34</td><td>-0.39</td><td>InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H</td><td>OC1=CC=CC(O)=C1O</td><td>-5.994542281888425</td><td>8.937265402300763</td><td></td><td><a href="/entries/PHUB001416">Pyrogallol-2-O-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000632">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="633"><td></td><td><a href="/entries/PHUB000633">Quinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000633</td><td>633</td><td>192.063388106</td><td>C<sub>7</sub>H<sub>12</sub>O<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000633/image.svg" src="" /></td><td>AAWZDTNXLSGCEK-RKGSPJAZSA-N</td><td></td><td>(1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid</td><td>192.167</td><td>7.65e+02 g/l</td><td>-2.46</td><td>0.60</td><td>InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4?,5-,7+/m1/s1</td><td>OC1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O</td><td>-3.23110633565766</td><td>3.461222738658171</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/168">Cider</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/218">German camomile</a> / <a href="/food_sources/95">Mango</a> / <a href="/food_sources/104">Papaya</a> / <a href="/food_sources/118">Pineapple</a></td><td><a href="/entries/PHUB001174">Hippuric acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000633">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="634"><td></td><td><a href="/entries/PHUB000634">Rosmarinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Rosmarinic acid</td><td>PHUB000634</td><td>634</td><td>360.084517475</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000634/image.svg" src="" /></td><td>DOUMFZQKYFQNTF-GIZXNFQBSA-N</td><td></td><td>(2S)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid</td><td>360.318</td><td>4.07e-02 g/l</td><td>2.57</td><td>-3.95</td><td>InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m0/s1</td><td>OC(=O)[C@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1</td><td>-6.283762279508309</td><td>3.1312932183061957</td><td><a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/96">Mint</a> / <a href="/food_sources/116">Peppermint</a> / <a href="/food_sources/134">Rosemary</a> / <a href="/food_sources/145">Sweet basil</a></td><td><a href="/entries/PHUB001918">caffeic acid-4-O-sulfate</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB000588">Coumaric acid (m-)</a> / <a href="/entries/PHUB001926">m-coumaric acid 3-O-sulfate</a> / <a href="/entries/PHUB000634">Rosmarinic acid</a> / <a href="/entries/PHUB002445">3,3'-Dimethoxyrosmarinic acid-4-glucuronide</a> / <a href="/entries/PHUB002446">3'-Methoxyrosmarinic acid-4'-glucuronide</a> / <a href="/entries/PHUB002447">Dimethoxyrosmarinic acid-sulfate</a> / <a href="/entries/PHUB002448">3',4-Dimethoxyrosmarinic acid</a> / <a href="/entries/PHUB002449">3,4'-Dimethoxyrosmarinic acid-4-glucuronide</a> / <a href="/entries/PHUB002450">Methoxyrosmarinic acid-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000634">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="635"><td></td><td><a href="/entries/PHUB000635">Schottenol ferulate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000635</td><td>635</td><td>590.433510348</td><td>C<sub>39</sub>H<sub>58</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000635/image.svg" src="" /></td><td>BGOCOVGWMXAQCQ-VYVGHQJLSA-N</td><td></td><td>(1S,7R,9aR,11aS)-1-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>590.889</td><td>8.29e-06 g/l</td><td>9.18</td><td>-7.85</td><td>InChI=1S/C39H58O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,14,17-18,23,25-26,28-30,32-34,40H,8-9,12-13,15-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29?,30+,32-,33?,34?,38+,39-/m0/s1</td><td>CC[C@@H](CC[C@H](C)[C@@H]1CCC2C3=CCC4C[C@@H](CC[C@@]4(C)C3CC[C@@]12C)OC(=O)\C=C\C1=CC(OC)=C(O)C=C1)C(C)C</td><td>-4.888802916070585</td><td>9.86776438324966</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000635">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="636"><td></td><td><a href="/entries/PHUB000636">Shogaol ([6]-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000636</td><td>636</td><td>276.172544633</td><td>C<sub>17</sub>H<sub>24</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000636/image.svg" src="" /></td><td>OQWKEEOHDMUXEO-FPLPWBNLSA-N</td><td></td><td>(4Z)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one</td><td>276.376</td><td>8.88e-03 g/l</td><td>4.95</td><td>-4.49</td><td>InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7-</td><td>[H]\C(CCCCC)=C(/[H])C(=O)CCC1=CC(OC)=C(O)C=C1</td><td>-4.4545534329251115</td><td>9.945866637773328</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000636">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="637"><td></td><td><a href="/entries/PHUB000637">Sinapaldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000637</td><td>637</td><td>208.073558866</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal; (E)-sinapaldehyde; (E)-sinapoyl aldehyde; Sinapoyl aldehyde; sinapyl aldehyde</td><td class="structure"><img data-src="/structures/PHUB000637/image.svg" src="" /></td><td>CDICDSOGTRCHMG-ONEGZZNKSA-N</td><td>4206-58-0</td><td>(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal</td><td>208.213</td><td>6.79e-01 g/l</td><td>2.22</td><td>-2.49</td><td>InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+</td><td>COC1=CC(\C=C\C=O)=CC(OC)=C1O</td><td>-4.244769839011704</td><td>8.935577431356307</td><td><a href="/food_sources/287">Whisky</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000637">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="638"><td></td><td><a href="/entries/PHUB000638">Sinapic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3',5'-Dimethoxy-4'-hydroxycinnamic acid</td><td>PHUB000638</td><td>638</td><td>224.068473486</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3,5-Dimethoxy-4-hydroxycinnamic acid; Sinapate; Sinapinic acid; Synapoic acid</td><td class="structure"><img data-src="/structures/PHUB000638/image.svg" src="" /></td><td>PCMORTLOPMLEFB-ONEGZZNKSA-N</td><td></td><td>(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid</td><td>224.212</td><td>6.31e-01 g/l</td><td>1.63</td><td>-2.55</td><td>
8InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+</td><td>COC1=CC(\C=C\C(O)=O)=CC(OC)=C1O</td><td>-4.6047167103077165</td><td>3.414650379012406</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/14">Beer</a> / <a href="/food_sources/318">Cranberry</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/126">Rapeseed</a> / <a href="/food_sources/283">Vinegar</a> / <a href="/food_sources/294">White wine</a></td><td><a href="/entries/PHUB001430">Sinapic acid O-glucuronide</a> / <a href="/entries/PHUB001431">Sinapic acid-O-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000638">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="639"><td></td><td><a href="/entries/PHUB000639">Sinapine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000639</td><td>639</td><td>310.164899297</td><td>C<sub>16</sub>H<sub>24</sub>NO<sub>5</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Hydroxy-3,5-dimethoxycinnamate choline; Sinapic acid choline ester</td><td class="structure"><img data-src="/structures/PHUB000639/image.svg" src="" /></td><td>HUJXHFRXWWGYQH-UHFFFAOYSA-O</td><td></td><td>(2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium</td><td>310.369</td><td>1.41e-02 g/l</td><td>-0.93</td><td>
8-4.39</td><td>InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1</td><td>COC1=CC(\C=C\C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O</td><td>-4.602090062685847</td><td>9.288740484436033</td><td><a href="/food_sources/126">Rapeseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000639">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="640"><td></td><td><a href="/entries/PHUB000640">Sitostanyl ferulate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000640</td><td>640</td><td>592.449160412</td><td>C<sub>39</sub>H<sub>60</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000640/image.svg" src="" /></td><td>RAKOKKNCCBUUMP-PSYAQTGMSA-N</td><td></td><td>(1S,7R,9aR,11aS)-1-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>592.905</td><td>4.39e-06 g/l</td><td>8.26</td><td>-8.13</td><td>InChI=1S/C39H60O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29?,30+,31?,32-,33?,34?,38+,39-/m0/s1</td><td>CC[C@@H](CC[C@H](C)[C@@H]1CCC2C3CCC4C[C@@H](CC[C@@]4(C)C3CC[C@@]12C)OC(=O)\C=C\C1=CC(OC)=C(O)C=C1)C(C)C</td><td>-4.888802912333213</td><td>9.867764383831734</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000640">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="641"><td></td><td><a href="/entries/PHUB000641">Sitosterol ferulate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000641</td><td>641</td><td>590.433510348</td><td>C<sub>39</sub>H<sub>58</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000641/image.svg" src="" /></td><td>ROUSJNZGMHNWOS-ZJNSRLKFSA-N</td><td></td><td>(1S,7R,9aS,11aS)-1-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>590.889</td><td>7.34e-06 g/l</td><td>8.42</td><td>-7.91</td><td>InChI=1S/C39H58O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,13,17-18,23,25-26,28,30-34,40H,8-9,12,14-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,30+,31?,32-,33?,34?,38+,39-/m0/s1</td><td>CC[C@@H](CC[C@H](C)[C@@H]1CCC2C3CC=C4C[C@@H](CC[C@@]4(C)C3CC[C@@]12C)OC(=O)\C=C\C1=CC(OC)=C(O)C=C1)C(C)C</td><td>-4.888809985284878</td><td>9.867762478436973</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000641">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="642"><td></td><td><a href="/entries/PHUB000642">Stigmastanol ferulate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000642</td><td>642</td><td>592.449160412</td><td>C<sub>39</sub>H<sub>60</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000642/image.svg" src="" /></td><td>RAKOKKNCCBUUMP-PSYAQTGMSA-N</td><td></td><td>(1S,7R,9aR,11aS)-1-[(2S,5S)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>592.905</td><td>4.39e-06 g/l</td><td>8.26</td><td>-8.13</td><td>InChI=1S/C39H60O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29?,30+,31?,32-,33?,34?,38+,39-/m0/s1</td><td>CC[C@@H](CC[C@H](C)[C@@H]1CCC2C3CCC4C[C@@H](CC[C@@]4(C)C3CC[C@@]12C)OC(=O)\C=C\C1=CC(OC)=C(O)C=C1)C(C)C</td><td>-4.888802912333213</td><td>9.867764383831734</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000642">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="643"><td></td><td><a href="/entries/PHUB000643">Subaphyllin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000643</td><td>643</td><td>264.147392512</td><td>C<sub>14</sub>H<sub>20</sub>N<sub>2</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Feruoylputrescine</td><td class="structure"><img data-src="/structures/PHUB000643/image.svg" src="" /></td><td>SFUVCMKSYKHYLD-FNORWQNLSA-N</td><td></td><td>(2E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid</td><td>264.325</td><td>1.33e-01 g/l</td><td>1.66</td><td>-3.30</td><td>InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+</td><td>[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(O)=NCCCCN</td><td>10.409410734108118</td><td>4.688697597670118</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000643">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="644"><td></td><td><a href="/entries/PHUB000644">Syringaldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000644</td><td>644</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-Dimethoxy-4-hydroxybenzoic aldehyde</td><td class="structure"><img data-src="/structures/PHUB000644/image.svg" src="" /></td><td>KCDXJAYRVLXPFO-UHFFFAOYSA-N</td><td>134-96-3</td><td>4-hydroxy-3,5-dimethoxybenzaldehyde</td><td>182.175</td><td>3.68e+00 g/l</td><td>1.33</td><td>-1.69</td><td>InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3</td><td>COC1=CC(C=O)=CC(OC)=C1O</td><td>-4.6076316073321335</td><td>7.243570534496414</td><td><a href="/food_sources/287">Whisky</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000644">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="645"><td></td><td><a href="/entries/PHUB000645">Vanillin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-hydroxy-3-methoxybenzaldehyde</td><td>PHUB000645</td><td>645</td><td>152.047344118</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Methoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3-methoxy-benzoic aldehyde; 4-Hydroxy-3-methoxybenzaldehyde; Methylprotocatechuic aldehyde; p-Vanillin; Vanillic aldehyde</td><td class="structure"><img data-src="/structures/PHUB000645/image.svg" src="" /></td><td>MWOOGOJBHIARFG-UHFFFAOYSA-N</td><td>121-33-5</td><td>4-hydroxy-3-methoxybenzaldehyde</td><td>152.149</td><td>5.05e+00 g/l</td><td>1.31</td><td>-1.48</td><td>InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3</td><td>COC1=CC(C=O)=CC=C1O</td><td>-4.895506955382694</td><td>7.807246236597697</td><td><a href="/food_sources/281">Vanilla</a> / <a href="/food_sources/287">Whisky</a></td><td><a href="/entries/PHUB001377">Vanillin 4-sulfate</a> / <a href="/entries/PHUB002669">Vanillin-4-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000645">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="646"><td></td><td><a href="/entries/PHUB000646">Verbascoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000646</td><td>646</td><td>624.205420459</td><td>C<sub>29</sub>H<sub>36</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-dihydroxyphenyl)ethyl 3-O-(α-L-rhamnopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl; 2-(3,4-Dihydroxyphenylethyl) 1-O-a-l-rhamnopyranosyl-(1-3)-b-d-(4-O-caffeyl) glucopyranoside; Acteoside; Hydroxytyrosol 1-glycosides; 1-O-[α-L-Rhamnopyranosyl-(1â3)-[3,4-dihydroxy-E-cinnamoyl-(â4)]-β-D-glu; Kusaginin</td><td class="structure"><img data-src="/structures/PHUB000646/image.svg" src="" /></td><td>FBSKJMQYURKNSU-YHMBLVDVSA-N</td><td>61276-17-3</td><td>(2S,3S,4S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>624.592</td><td>9.66e-01 g/l</td><td>1.09</td><td>-2.81</td><td>InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1</td><td>C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCCC3=CC=C(O)C(O)=C3)O[C@@H](CO)[C@@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6121826089947686</td><td>9.010190895814455</td><td><a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000646">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="647"><td></td><td><a href="/entries/PHUB000647">3,7-Dimethylquercetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000647</td><td>647</td><td>330.073952791</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,3',4'-Trihydroxy-3,7-dimethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000647/image.svg" src="" /></td><td>LUJAXSNNYBCFEE-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one</td><td>330.292</td><td>6.33e-02 g/l</td><td>3.00</td><td>-3.72</td><td>InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3</td><td>COC1=CC2=C(C(O)=C1)C(=O)C(OC)=C(O2)C1=CC(O)=C(O)C=C1</td><td>-4.567943663175028</td><td>7.139086625881624</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000647">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="648"><td></td><td><a href="/entries/PHUB000648">3-Methoxynobiletin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000648</td><td>648</td><td>432.142032353</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,6,7,8,3',4'-Heptamethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000648/image.svg" src="" /></td><td>SSXJHQZOHUYEGD-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-chromen-4-one</td><td>432.425</td><td>1.10e-02 g/l</td><td>2.39</td><td>-4.59</td><td>InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3</td><td>COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1</td><td>-4.093866335295456</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000648">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="649"><td></td><td><a href="/entries/PHUB000649">3-Methoxysinensetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000649</td><td>649</td><td>402.131467668</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,6,7,3',4'-Hexamethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000649/image.svg" src="" /></td><td>CHXSDKWBSFDZEU-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxy-4H-chromen-4-one</td><td>402.399</td><td>9.91e-03 g/l</td><td>2.51</td><td>-4.61</td><td>InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(29-18)10-15(25-3)19(26-4)20(16)27-5/h7-10H,1-6H3</td><td>COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(OC)C=C2O1</td><td>-4.142935612696577</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000649">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="650"><td></td><td><a href="/entries/PHUB000650">5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone 4'-O-glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000650</td><td>650</td><td>520.085305324</td><td>C<sub>23</sub>H<sub>20</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000650/image.svg" src="" /></td><td>CHIQYVBCRPLTQS-QJAHINBCSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid</td><td>520.399</td><td>1.06e+00 g/l</td><td>1.22</td><td>-2.69</td><td>InChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)/t15-,16-,17+,21-,23+/m0/s1</td><td>COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC(O)=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1</td><td>-3.686827975281591</td><td>2.972260778180193</td><td><a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000650">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="651"><td></td><td><a href="/entries/PHUB000651">5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone 4'-O-glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000651</td><td>651</td><td>534.100955388</td><td>C<sub>24</sub>H<sub>22</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000651/image.svg" src="" /></td><td>SYRSHYBWNZNHHW-NKUGBYDDSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}-2-methoxyphenoxy)oxane-2-carboxylic acid</td><td>534.426</td><td>7.17e-01 g/l</td><td>0.99</td><td>-2.87</td><td>InChI=1S/C24H22O14/c1-32-10-5-8(3-4-9(10)37-24-18(29)16(27)17(28)22(38-24)23(30)31)19-21(33-2)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)/t16-,17-,18+,22-,24+/m0/s1</td><td>COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C3=C(OCO3)C=C2O1</td><td>-3.6868279760639147</td><td>3.057846389733059</td><td><a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000651">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="652"><td></td><td><a href="/entries/PHUB000652">6,8-Dihydroxykaempferol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000652</td><td>652</td><td>318.037567282</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,6,7,8,4'-Hexahydroxyflavone</td><td class="structure"><img data-src="/structures/PHUB000652/image.svg" src="" /></td><td>WZIBNDUAQVRELQ-UHFFFAOYSA-N</td><td></td><td></td><td>318.237</td><td>3.44e-01 g/l</td><td>1.72</td><td>-2.97</td><td>InChI=1S/C15H10O8/c16-6-3-1-5(2-4-6)14-12(21)9(18)7-8(17)10(19)11(20)13(22)15(7)23-14/h1-4,16-17,19-22H</td><td>OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(O)=C(O)C(O)=C2O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000652">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="653"><td></td><td><a href="/entries/PHUB000653">Kaempferol 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000653</td><td>653</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Astragalin</td><td class="structure"><img data-src="/structures/PHUB000653/image.svg" src="" /></td><td>JPUKWEQWGBDDQB-QSOFNFLRSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>448.38</td><td>1.58e+00 g/l</td><td>0.52</td><td>-2.45</td><td>InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.98109237118166</td><td>6.3723484229657545</td><td><a href="/food_sources/297">Black tea</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000653">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="654"><td></td><td><a href="/entries/PHUB000654">Quercetin 3-O-arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000654</td><td>654</td><td>434.0849114</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl α-L-arabinofuranoside; Avicularin; Avicularoside; Fenicularin; Quercetin 3-O-arabinoside; Quercetin 3-α-L-arabinofuranoside</td><td class="structure"><img data-src="/structures/PHUB000654/image.svg" src="" /></td><td>PZZRDJXEMZMZFD-IEGSVRCHSA-N</td><td>572-30-5</td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-4H-chromen-4-one</td><td>434.353</td><td>1.38e+00 g/l</td><td>0.70</td><td>-2.50</td><td>InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1</td><td>O[C@H]1CO[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O</td><td>-3.526598553289411</td><td>6.372406805937166</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000654">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="655"><td></td><td><a href="/entries/PHUB000655">Axillarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000655</td><td>655</td><td>346.068867411</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Quercetagenin 3,6-dimethyl ether</td><td class="structure"><img data-src="/structures/PHUB000655/image.svg" src="" /></td><td>KIGVXRGRNLQNNI-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-chromen-4-one</td><td>346.291</td><td>1.11e-01 g/l</td><td>2.66</td><td>-3.49</td><td>InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3</td><td>COC1=C(O)C2=C(OC(=C(OC)C2=O)C2=CC(O)=C(O)C=C2)C=C1O</td><td>-4.609271269492251</td><td>6.9019105720865355</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000655">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="656"><td></td><td><a href="/entries/PHUB000656">Chrysosplenetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000656</td><td>656</td><td>374.10016754</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Polycladin; Quercetagenin 3,6,7,3'-tetramethyl ether</td><td class="structure"><img data-src="/structures/PHUB000656/image.svg" src="" /></td><td>NBVTYGIYKCPHQN-UHFFFAOYSA-N</td><td></td><td>5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one</td><td>374.345</td><td>4.47e-02 g/l</td><td>2.66</td><td>-3.92</td><td>InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3</td><td>COC1=C(O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C=C2O1</td><td>-4.310828115417551</td><td>7.712977157548502</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000656">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="657"><td></td><td><a href="/entries/PHUB000657">Fisetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000657</td><td>657</td><td>286.047738042</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000657/image.svg" src="" /></td><td>XHEFDIBZLJXQHF-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one</td><td>286.239</td><td>1.51e-01 g/l</td><td>2.03</td><td>-3.28</td><td>InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H</td><td>OC1=CC=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1</td><td>-3.856247726581812</td><td>6.3180160019747795</td><td></td><td><a href="/entries/PHUB000657">Fisetin</a> / <a href="/entries/PHUB000885">Geraldone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000657">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="658"><td></td><td><a href="/entries/PHUB000658">Galangin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000658</td><td>658</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,7-Trihydroxyflavone</td><td class="structure"><img data-src="/structures/PHUB000658/image.svg" src="" /></td><td>VCCRNZQBSJXYJD-UHFFFAOYSA-N</td><td></td><td>3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one</td><td>270.24</td><td>1.17e-01 g/l</td><td>2.39</td><td>-3.36</td><td>InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H</td><td>OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=CC=C2)=C1</td><td>-3.8776728953313913</td><td>6.383248543296597</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000658">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="659"><td></td><td><a href="/entries/PHUB000659">Galangin 3,5,7-trimethyl ether</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000659</td><td>659</td><td>312.099773615</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000659/image.svg" src="" /></td><td>CBTHKWVPSIGKMI-UHFFFAOYSA-N</td><td></td><td>3,5,7-trimethoxy-2-phenyl-4H-chromen-4-one</td><td>312.321</td><td>2.85e-02 g/l</td><td>3.25</td><td>-4.04</td><td>InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3</td><td>COC1=CC(OC)=C2C(=O)C(OC)=C(OC2=C1)C1=CC=CC=C1</td><td>-4.402812604808886</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000659">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="660"><td></td><td><a href="/entries/PHUB000660">Quercetin 3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000660</td><td>660</td><td>464.095476084</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Hyperin; Hyperoside</td><td class="structure"><img data-src="/structures/PHUB000660/image.svg" src="" /></td><td>OVSQVDMCBVZWGM-DTGCRPNFSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>464.379</td><td>1.95e+00 g/l</td><td>0.47</td><td>-2.38</td><td>InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O</td><td>-2.98109237118166</td><td>6.372405531686565</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/95">Mango</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000660">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="661"><td></td><td><a href="/entries/PHUB000661">Isoquercitrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000661</td><td>661</td><td>464.095476084</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucofuranoside; 3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside; isoquercetin; Quercetin 3-glucoside; Quercetin 3-O-glucoside; quercetin 3-O-β-D-glucopyranoside</td><td class="structure"><img data-src="/structures/PHUB000661/image.svg" src="" /></td><td>OVSQVDMCBVZWGM-QSOFNFLRSA-N</td><td>482-35-9</td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>464.379</td><td>1.95e+00 g/l</td><td>0.47</td><td>-2.38</td><td>InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.98109237118166</td><td>6.372405531686565</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/95">Mango</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/133">Rooibos tea</a></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000661">Isoquercitrin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000661">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="662"><td></td><td><a href="/entries/PHUB000662">Isorhamnetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000662</td><td>662</td><td>316.058302726</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td>3,5,7,4'-Tetrahydroxy-3'-methoxyflavone; 3'-Methylquercetin</td><td class="structure"><img data-src="/structures/PHUB000662/image.svg" src="" /></td><td>IZQSVPBOUDKVDZ-UHFFFAOYSA-N</td><td></td><td>3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one</td><td>316.265</td><td>1.49e-01 g/l</td><td>1.96</td><td>-3.33</td><td>InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3</td><td>COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1</td><td>-3.9548376558370353</td><td>6.381413988597494</td><td><a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000662">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="663"><td></td><td><a href="/entries/PHUB000663">Isorhamnetin 3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000663</td><td>663</td><td>478.111126148</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000663/image.svg" src="" /></td><td>CQLRUIIRRZYHHS-UVHBULKNSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>478.406</td><td>1.22e+00 g/l</td><td>0.64</td><td>-2.59</td><td>InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1</td><td>-2.98109237118166</td><td>6.374289082880093</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000663">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="664"><td></td><td><a href="/entries/PHUB000664">Isorhamnetin 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000664</td><td>664</td><td>478.111126148</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000664/image.svg" src="" /></td><td>CQLRUIIRRZYHHS-LFXZADKFSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>478.406</td><td>1.22e+00 g/l</td><td>0.64</td><td>-2.59</td><td>InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1</td><td>-2.98109237118166</td><td>6.374289082880093</td><td><a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000664">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="665"><td></td><td><a href="/entries/PHUB000665">Isorhamnetin 3-O-glucoside 7-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000665</td><td>665</td><td>624.16903495</td><td>C<sub>28</sub>H<sub>32</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000665/image.svg" src="" /></td><td>NEJKEXUJCSYMCC-PXBUXKMDSA-N</td><td></td><td>5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one</td><td>624.548</td><td>2.53e+00 g/l</td><td>-0.10</td><td>-2.39</td><td>InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27-,28-/m0/s1</td><td>COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1</td><td>-3.6122003587144005</td><td>7.093579598370601</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000665">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="666"><td></td><td><a href="/entries/PHUB000666">Isorhamnetin 3-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000666</td><td>666</td><td>492.090390704</td><td>C<sub>22</sub>H<sub>20</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000666/image.svg" src="" /></td><td>VVZWHOMBDMMRSC-NTKSAMNMSA-N</td><td>36687-76-0</td><td>(2S,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>492.389</td><td>1.71e+00 g/l</td><td>1.40</td><td>-2.46</td><td>InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1</td><td>[H][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.686829748042071</td><td>2.647099411185527</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000703">Quercetin 3,4'-O-diglucoside</a> / <a href="/entries/PHUB000729">Quercetin 4'-O-glucoside</a> / <a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000666">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="667"><td></td><td><a href="/entries/PHUB000667">Isorhamnetin 3-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000667</td><td>667</td><td>462.116211528</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000667/image.svg" src="" /></td><td>VCUKTRIKOSSHLY-HMMBGAFDSA-N</td><td></td><td>3-{[(2S,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one</td><td>462.407</td><td>9.63e-01 g/l</td><td>1.68</td><td>-2.68</td><td>InChI=1S/C22H22O11/c1-8(23)19-17(28)18(29)22(32-19)33-21-16(27)15-12(26)6-10(24)7-14(15)31-20(21)9-3-4-11(25)13(5-9)30-2/h3-8,17-19,22-26,28-29H,1-2H3/t8?,17-,18+,19-,22-/m0/s1</td><td>COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@@H](C(C)O)[C@@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1</td><td>-3.055701239772265</td><td>6.3742891470788</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000667">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="668"><td></td><td><a href="/entries/PHUB000668">Isorhamnetin 4'-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000668</td><td>668</td><td>478.111126148</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td>3,4',5,7-Tetrahydroxy-3'-methoxyflavone; Isorhamnetin 4'-glucoside; isorhamnetin 4'-O-β-D-glucopyranoside</td><td class="structure"><img data-src="/structures/PHUB000668/image.svg" src="" /></td><td>VTDBDVABTGGRMO-UHFFFAOYSA-N</td><td>58902-89-9</td><td>3,5,7-trihydroxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one</td><td>478.406</td><td>8.97e-01 g/l</td><td>0.50</td><td>-2.73</td><td>InChI=1S/C22H22O12/c1-31-12-4-8(21-19(29)17(27)15-10(25)5-9(24)6-13(15)32-21)2-3-11(12)33-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3</td><td>COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1</td><td>
8-2.9810923549072026</td><td>6.382265411814353</td><td><a href="/food_sources/70">Onion</a> / <a href="/food_sources/401">red onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000668">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="669"><td></td><td><a href="/entries/PHUB000669">Isorhamnetin 7-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000669</td><td>669</td><td>478.111126148</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000669/image.svg" src="" /></td><td>YCUNOXSUHVGZRI-XMHBHJPISA-N</td><td></td><td>3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>478.406</td><td>1.07e+00 g/l</td><td>0.49</td><td>-2.65</td><td>InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18+,20-,22-/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1</td><td>-2.981092343758667</td><td>7.089468804876817</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000669">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="670"><td></td><td><a href="/entries/PHUB000670">Jaceidin 4'-O-glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000670</td><td>670</td><td>536.116605453</td><td>C<sub>24</sub>H<sub>24</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000670/image.svg" src="" /></td><td>IXUDTZUOBGRRSD-NKUGBYDDSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>536.442</td><td>9.80e-01 g/l</td><td>1.33</td><td>-2.74</td><td>InChI=1S/C24H24O14/c1-33-11-6-8(4-5-10(11)37-24-18(30)16(28)17(29)22(38-24)23(31)32)19-21(35-3)15(27)13-12(36-19)7-9(25)20(34-2)14(13)26/h4-7,16-18,22,24-26,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,22-,24+/m0/s1</td><td>COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=C(OC)C(=O)C2=C(O1)C=C(O)C(OC)=C2O</td><td>-3.6868279760639147</td><td>3.0577995885587788</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000670">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="671"><td></td><td><a href="/entries/PHUB000671">Kaempferide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000671</td><td>671</td><td>299.056111654</td><td>C<sub>16</sub>H<sub>11</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,7-Trihydroxy-4'-methoxyflavone; 4'-Methylkaempferol</td><td class="structure"><img data-src="/structures/PHUB000671/image.svg" src="" /></td><td>SQFSKOYWJBQGKQ-UHFFFAOYSA-M</td><td></td><td>5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-olate</td><td>299.259</td><td>1.24e-01 g/l</td><td>2.76</td><td>-3.41</td><td>InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3/p-1</td><td>COC1=CC=C(C=C1)C1=C([O-])C(=O)C2=C(O)C=C(O)C=C2O1</td><td>-3.88755903488193</td><td>6.383164711761815</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000671">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="672"><td></td><td><a href="/entries/PHUB000672">Kaempferol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000672</td><td>672</td><td>286.047738042</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,7,4'-Tetrahydroxyflavone</td><td class="structure"><img data-src="/structures/PHUB000672/image.svg" src="" /></td><td>IYRMWMYZSQPJKC-UHFFFAOYSA-N</td><td></td><td>3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>286.239</td><td>1.78e-01 g/l</td><td>1.99</td><td>-3.21</td><td>InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H</td><td>OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1</td><td>-3.921626650503836</td><td>6.3798758258778765</td><td><a href="/food_sources/169">Acerola</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/70">Onion</a></td><td><a href="/entries/PHUB000683">Kaempferol 3-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000672">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="673"><td></td><td><a href="/entries/PHUB000673">Kaempferol 3,7,4'-O-triglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000673</td><td>673</td><td>772.206208308</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>21</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000673/image.svg" src="" /></td><td>GZKTYMIMRMNEII-GZIDCZEMSA-N</td><td></td><td>5-hydroxy-3,7-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one</td><td>772.662</td><td>7.55e+00 g/l</td><td>-1.21</td><td>-2.01</td><td>InChI=1S/C33H40O21/c34-7-15-19(38)23(42)26(45)31(51-15)48-11-3-1-10(2-4-11)29-30(54-33-28(47)25(44)21(40)17(9-36)53-33)22(41)18-13(37)5-12(6-14(18)50-29)49-32-27(46)24(43)20(39)16(8-35)52-32/h1-6,15-17,19-21,23-28,31-40,42-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC=C(C=C2)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6483953952505517</td><td>7.098764051444227</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000673">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="674"><td></td><td><a href="/entries/PHUB000674">Kaempferol 3,7-O-diglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000674</td><td>674</td><td>610.153384886</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000674/image.svg" src="" /></td><td>XFFQVRFGLSBFON-DEFKTLOSSA-N</td><td></td><td></td><td>610.521</td><td></td><td></td><td></td><td>InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/68">
8Flaxseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000674">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="675"><td></td><td><a href="/entries/PHUB000675">Kaempferol 3-O-(2''-rhamnosyl-6''-acetyl-galactoside) 7-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000675</td><td>675</td><td>784.206208308</td><td>C<sub>34</sub>H<sub>40</sub>O<sub>21</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000675/image.svg" src="" /></td><td>UNWFAGYVJIJZNQ-KINVIYQBSA-N</td><td></td><td>[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl hydrogen carbonate</td><td>784.673</td><td>4.87e+00 g/l</td><td>0.08</td><td>-2.21</td><td>InChI=1S/C34H40O21/c1-10-19(37)23(41)26(44)31(49-10)51-14-7-15(36)18-16(8-14)52-28(12-3-5-13(35)6-4-12)29(22(18)40)54-33-30(25(43)21(39)17(53-33)9-48-34(46)47)55-32-27(45)24(42)20(38)11(2)50-32/h3-8,10-11,17,19-21,23-27,30-33,35-39,41-45H,9H2,1-2H3,(H,46,47)/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31-,32-,33-/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](COC(O)=O)O[C@H]2OC2=C(OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6765067042171</td><td>6.259816505158913</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000675">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="676"><td></td><td><a href="/entries/PHUB000676">Kaempferol 3-O-(2''-rhamnosyl-galactoside) 7-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000676</td><td>676</td><td>740.216379068</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>19</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000676/image.svg" src="" /></td><td>DDELFAUOHDSZJL-KINVIYQBSA-N</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one</td><td>740.664</td><td>6.09e+00 g/l</td><td>-0.26</td><td>-2.09</td><td>InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31-,32-,33-/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC2=C(OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6486922489573996</td><td>7.083348629193729</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000676">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="677"><td></td><td><a href="/entries/PHUB000677">Kaempferol 3-O-(6''-malonyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000677</td><td>677</td><td>534.100955388</td><td>C<sub>24</sub>H<sub>22</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000677/image.svg" src="" /></td><td>XEXCLTHHXIWUHO-UJKBSQBPSA-N</td><td></td><td>3-{[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid</td><td>534.426</td><td>8.22e-01 g/l</td><td>1.21</td><td>-2.81</td><td>InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18-,20+,21-,24+/m1/s1</td><td>O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@@H]1O</td><td>-3.649103074934182</td><td>3.485466440200127</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000677">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="678"><td></td><td><a href="/entries/PHUB000678">Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000678</td><td>678</td><td>636.16903495</td><td>C<sub>29</sub>H<sub>32</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000678/image.svg" src="" /></td><td>GMYLPJSOUAYAGD-UGFNMZIJSA-N</td><td></td><td>[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-3-yl]oxy}oxan-2-yl]methyl acetate</td><td>636.559</td><td>1.64e+00 g/l</td><td>0.45</td><td>-2.59</td><td>InChI=1S/C29H32O16/c1-10-19(33)22(36)24(38)28(41-10)42-14-7-15(32)18-16(8-14)43-26(12-3-5-13(31)6-4-12)27(21(18)35)45-29-25(39)23(37)20(34)17(44-29)9-40-11(2)30/h3-8,10,17,19-20,22-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17+,19-,20-,22+,23-,24+,25+,28-,29-/m0/s1</td><td>C[C@@H]1O[C@@H](OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4O)C3=O)=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6122003587144005</td><td>7.08334978230715</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000678">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="679"><td></td><td><a href="/entries/PHUB000679">Kaempferol 3-O-acetyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000679</td><td>679</td><td>490.111126148</td><td>C<sub>23</sub>H<sub>22</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000679/image.svg" src="" /></td><td>AKENCGNASJPQNR-LNNZMUSMSA-N</td><td></td><td>[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate</td><td>490.417</td><td>9.67e-01 g/l</td><td>1.46</td><td>-2.71</td><td>InChI=1S/C23H22O12/c1-9(24)32-8-15-17(28)19(30)20(31)23(34-15)35-22-18(29)16-13(27)6-12(26)7-14(16)33-21(22)10-2-4-11(25)5-3-10/h2-7,15,17,19-20,23,25-28,30-31H,8H2,1H3/t15-,17-,19+,20-,23+/m1/s1</td><td>CC(=O)OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.649102864442661</td><td>6.37234842491601</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000679">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="680"><td></td><td><a href="/entries/PHUB000680">Kaempferol 3-O-galactoside 7-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000680</td><td>680</td><td>594.158470266</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000680/image.svg" src="" /></td><td>JYXSWDCPHRTYGU-VYARGGPUSA-N</td><td></td><td>5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one</td><td>594.522</td><td>2.61e+00 g/l</td><td>-0.18</td><td>-2.36</td><td>InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18-,20+,21-,22+,23+,26-,27-/m0/s1</td><td>C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6122003587144005</td><td>7.083349784459057</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000680">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="681"><td></td><td><a href="/entries/PHUB000681">Kaempferol 3-O-glucosyl-rhamnosyl-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000681</td><td>681</td><td>756.211293688</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000681/image.svg" src="" /></td><td>MFIXKYXSBNIMPX-CHLFRWFTSA-N</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>756.663</td><td>8.88e+00 g/l</td><td>-0.59</td><td>-1.93</td><td>InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O</td><td>-3.678621634502947</td><td>6.37234752867248</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000681">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="682"><td></td><td><a href="/entries/PHUB000682">Kaempferol 3-O-glucosyl-rhamnosyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000682</td><td>682</td><td>756.211293688</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000682/image.svg" src="" /></td><td>MFIXKYXSBNIMPX-PBVGSPQASA-N</td><td></td><td>3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>756.663</td><td>8.88e+00 g/l</td><td>-0.59</td><td>-1.93</td><td>InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H
8](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O</td><td>-3.678621634502947</td><td>6.37234752867248</td><td><a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000682">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="683"><td></td><td><a href="/entries/PHUB000683">Kaempferol 3-O-glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000683</td><td>683</td><td>462.07982602</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000683/image.svg" src="" /></td><td>FNTJVYCFNVUBOL-UHFFFAOYSA-N</td><td>22688-78-4</td><td>6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>462.363</td><td>1.96e+00 g/l</td><td>1.40</td><td>-2.37</td><td>InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)</td><td>OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)OC(C1O)C(O)=O</td><td>-3.686829748042031</td><td>2.7116346228792803</td><td><a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB000683">Kaempferol 3-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000683">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="684"><td></td><td><a href="/entries/PHUB000684">Kaempferol 3-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000684</td><td>684</td><td>431.098370392</td><td>C<sub>21</sub>H<sub>19</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000684/image.svg" src="" /></td><td>SOSLMHZOJATCCP-MKMJNHTISA-M</td><td></td><td>7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-5-olate</td><td>431.374</td><td>1.19e+00 g/l</td><td>1.38</td><td>-2.58</td><td>InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/p-1/t8-,15-,17+,18+,21+/m0/s1</td><td>C[C@@H]1O[C@H](OC2=C(OC3=CC(O)=CC([O-])=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6122004081725936</td><td>6.372348629689458</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000684">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="685"><td></td><td><a href="/entries/PHUB000685">Kaempferol 3-O-rhamnosyl-rhamnosyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000685</td><td>685</td><td>740.216379068</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>19</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000685/image.svg" src="" /></td><td>WQRYALSJYYLFRY-YBDKOUSASA-N</td><td></td><td>3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>740.664</td><td>6.58e+00 g/l</td><td>-0.12</td><td>-2.05</td><td>InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)52-30-25(43)20(38)11(2)48-33(30)46-9-17-21(39)24(42)27(45)32(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24-,25+,26+,27+,30+,31-,32-,33+/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H
8](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O</td><td>-3.6765067029860217</td><td>6.372347870294999</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000685">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="686"><td></td><td><a href="/entries/PHUB000686">Kaempferol 3-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000686</td><td>686</td><td>594.158470266</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Kaempferol 3-O-rhamnosyl-glucoside; Nicotiflorine</td><td class="structure"><img data-src="/structures/PHUB000686/image.svg" src="" /></td><td>RTATXGUCZHCSNG-QHWHWDPRSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>594.522</td><td>3.07e+00 g/l</td><td>0.07</td><td>-2.29</td><td>InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6486860437883792</td><td>6.372347889256069</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000686">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="687"><td></td><td><a href="/entries/PHUB000687">Kaempferol 3-O-sophoroside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000687</td><td>687</td><td>610.153384886</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000687/image.svg" src="" /></td><td>LKZDFKLGDGSGEO-UJECXLDQSA-N</td><td></td><td>3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>610.521</td><td>6.07e+00 g/l</td><td>-0.55</td><td>-2.00</td><td>InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1</td><td>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6483775957631734</td><td>6.372347146052017</td><td><a href="/food_sources/19">Broccoli</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000687">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="688"><td></td><td><a href="/entries/PHUB000688">Kaempferol 3-O-sophoroside 7-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000688</td><td>688</td><td>
8772.206208308</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>21</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000688/image.svg" src="" /></td><td>MBFNAZBJKVFNKZ-UHFFFAOYSA-N</td><td></td><td>3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>772.662</td><td>1.27e+01 g/l</td><td>-0.96</td><td>-1.78</td><td>InChI=1S/C33H40O21/c34-7-15-19(39)23(43)26(46)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)29(22(18)42)53-33-30(25(45)21(41)17(9-36)52-33)54-32-27(47)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,30-41,43-47H,7-9H2</td><td>OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O</td><td>-3.648692248998897</td><td>7.083345709135375</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000688">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="689"><td></td><td><a href="/entries/PHUB000689">Kaempferol 3-O-xylosyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000689</td><td>689</td><td>580.142820202</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000689/image.svg" src="" /></td><td>XZTRGHMNLXAJPZ-DGBSRBSYSA-N</td><td></td><td>3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>580.495</td><td>2.95e+00 g/l</td><td>-0.18</td><td>-2.29</td><td>InChI=1S/C26H28O15/c27-7-14-17(31)21(35)25(39-14)37-8-15-18(32)20(34)22(36)26(40-15)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m1/s1</td><td>OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O</td><td>-3.6486860438288145</td><td>6.372347887426173</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000689">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="690"><td></td><td><a href="/entries/PHUB000690">Kaempferol 3-O-xylosyl-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000690</td><td>690</td><td>740.216379068</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>19</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000690/image.svg" src="" /></td><td>UYVBMGULWGRDQT-VLYLGZBPSA-N</td><td></td><td>3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>740.664</td><td>6.09e+00 g/l</td><td>-0.12</td><td>-2.08</td><td>InChI=1S/C33H40O19/c1-10-19(37)23(41)25(43)32(48-10)51-29-20(38)11(2)47-31(27(29)45)46-9-17-21(39)24(42)26(44)33
8(50-17)52-30-22(40)18-15(36)7-14(35)8-16(18)49-28(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,29,31-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC[C@H]3O[C@@H](OC4=C(OC5=CC(O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.676505494640661</td><td>6.37234753016903</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000690">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="691"><td></td><td><a href="/entries/PHUB000691">Kaempferol 7-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000691</td><td>691</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000691/image.svg" src="" /></td><td>YPWHZCPMOQGCDQ-CXWQUDHASA-N</td><td></td><td>3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>448.38</td><td>1.30e+00 g/l</td><td>0.33</td><td>-2.54</td><td>InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21?/m1/s1</td><td>OC[C@H]1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343758667</td><td>7.0813877743095714</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000691">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="692"><td></td><td><a href="/entries/PHUB000692">3-O-Methylgalangin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000692</td><td>692</td><td>284.068473486</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000692/image.svg" src="" /></td><td>LYISDADPVOHJBJ-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-3-methoxy-2-phenyl-4H-chromen-4-one</td><td>284.267</td><td>6.63e-02 g/l</td><td>3.49</td><td>-3.63</td><td>InChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,17-18H,1H3</td><td>COC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=CC=C1</td><td>-4.8747114874276</td><td>6.380966681237773</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000692">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="693"><td></td><td><a href="/entries/PHUB000693">Morin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000693</td><td>693</td><td>302.042652662</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,7,2',4'-Pentahydroxyflavone</td><td class="structure"><img data-src="/structures/PHUB000693/image.svg" src="" /></td><td>YXOLAZRVSSWPPT-UHFFFAOYSA-N</td><td></td><td>2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one</td><td>302.238</td><td>3.05e-01 g/l</td><td>2.23</td><td>-3.00</td><td>InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H</td><td>OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1</td><td>-4.063175207638123</td><td>6.368742132089664</td><td></td><td><a href="/entries/PHUB000693">Morin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000693">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="694"><td></td><td><a href="/entries/PHUB000694">Myricetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000694</td><td>694</td><td>318.037567282</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,7,3',4',5'-Hexahydroxyflavone</td><td class="structure"><img data-src="/structures/PHUB000694/image.svg" src="" /></td><td>IKMDFBPHZNJCSN-UHFFFAOYSA-N</td><td></td><td>3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one</td><td>318.237</td><td>3.01e-01 g/l</td><td>1.66</td><td>-3.02</td><td>InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H</td><td>OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1</td><td>-4.050760199655587</td><td>6.37283944754045</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/40">Common bean</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/213">European cranberry</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB001426">Myricetin 3-O-glucuronide</a> / <a href="/entries/PHUB001427">Myricetin 5-O-glucuronide</a> / <a href="/entries/PHUB001428">Myricetin 7-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000694">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="695"><td></td><td><a href="/entries/PHUB000695">Myricetin 3-O-arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000695</td><td>695</td><td>450.07982602</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000695/image.svg" src="" /></td><td>OXJKSVCEIOYZQL-UHFFFAOYSA-N</td><td></td><td>3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one</td><td>450.352</td><td>1.68e+00 g/l</td><td>0.65</td><td>-2.43</td><td>InChI=1S/C20H18O12/c21-5-12-15(27)17(29)20(31-12)32-19-16(28)13-8(23)3-7(22)4-11(13)30-18(19)6-1-9(24)14(26)10(25)2-6/h1-4,12,15,17,20-27,29H,5H2</td><td>OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O</td><td>-2.981152416465515</td><td>6.367302500273735</td><td><a href="/food_sources/5">American cranberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000695">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="696"><td></td><td><a href="/entries/PHUB000696">Myricetin 3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000696</td><td>696</td><td>480.090390704</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000696/image.svg" src="" /></td><td>FOHXFLPXBUAOJM-MGMURXEASA-N</td><td></td><td>5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one</td><td>480.378</td><td>2.31e+00 g/l</td><td>0.49</td><td>-2.32</td><td>InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O</td><td>-3.6483953952505526</td><td>6.367302414620619</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000696">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="697"><td></td><td><a href="/entries/PHUB000697">Myricetin 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000697</td><td>697</td><td>480.090390704</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000697/image.svg" src="" /></td><td>ZJYAVUPWMNHHEU-GFOOFYSOSA-N</td><td></td><td>2-(3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,5,7-trihydroxy-4H-chromen-4-one</td><td>480.378</td><td>2.23e+00 g/l</td><td>0.44</td><td>-2.33</td><td>InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(=CC(O)=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.648395365957016</td><td>6.380127754542943</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000697">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="698"><td></td><td><a href="/entries/PHUB000698">Myricetin 3-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000698</td><td>698</td><td>626.148299506</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Myricetin 3-O-rhamnosyl-glucoside</td><td class="structure"><img data-src="/structures/PHUB000698/image.svg" src="" /></td><td>QCIILLDRJZPUDI-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one</td><td>626.52</td><td>4.45e+00 g/l</td><td>0.23</td><td>-2.15</td><td>InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3</td><td>CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O</td><td>-3.678956693701124</td><td>6.36730207591528</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000698">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="699"><td></td><td><a href="/entries/PHUB000699">Myricitrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000699</td><td>699</td><td>464.095476084</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Myricetin 3-O-rhamnoside</td><td class="structure"><img data-src="/structures/PHUB000699/image.svg" src="" /></td><td>DCYOADKBABEMIQ-OWMUPTOHSA-N</td><td></td><td>5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one</td><td>464.379</td><td>2.43e+00 g/l</td><td>1.18</td><td>-2.28</td><td>InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1</td><td>C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6122004081725936</td><td>6.367302617798704</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000699">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="700"><td></td><td><a href="/entries/PHUB000700">Patuletin 3-O-(2''-feruloylglucosyl)(1->
86)-[apiosyl(1->2)]-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000700</td><td>700</td><td>964.248467046</td><td>C<sub>43</sub>H<sub>48</sub>O<sub>25</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000700/image.svg" src="" /></td><td>VSMDAOFJZBLZOB-JFGFUAGISA-N</td><td></td><td>(2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>964.832</td><td>1.49e+00 g/l</td><td>1.00</td><td>-2.81</td><td>InChI=1S/C43H48O25/c1-59-22-9-16(3-6-19(22)47)4-8-26(50)66-37-32(55)28(51)24(12-44)64-40(37)61-13-25-29(52)33(56)38(68-42-39(57)43(58,14-45)15-62-42)41(65-25)67-36-31(54)27-23(11-21(49)35(60-2)30(27)53)63-34(36)17-5-7-18(46)20(48)10-17/h3-11,24-25,28-29,32-33,37-42,44-49,51-53,55-58H,12-15H2,1-2H3/b8-4+/t24-,25-,28-,29-,32+,33+,37-,38-,39+,40-,41+,42+,43-/m1/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC4=C(OC5=C(C(O)=C(OC)C(O)=C5)C4=O)C4=CC=C(O)C(O)=C4)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C1</td><td>-3.6937215920522584</td><td>6.895958524867266</td><td><a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000700">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="701"><td></td><td><a href="/entries/PHUB000701">Patuletin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000701</td><td>701</td><td>788.201122928</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>22</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000701/image.svg" src="" /></td><td>IQBTXBIIGNASBG-UHFFFAOYSA-N</td><td></td><td>3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one</td><td>788.661</td><td>9.58e+00 g/l</td><td>-0.74</td><td>-1.92</td><td>InChI=1S/C33H40O22/c1-48-26-13(38)5-14-17(20(26)41)21(42)27(25(51-14)10-2-3-11(36)12(37)4-10)54-31-28(55-32-29(46)33(47,8-35)9-50-32)23(44)19(40)16(53-31)7-49-30-24(45)22(43)18(39)15(6-34)52-30/h2-5,15-16,18-19,22-24,28-32,34-41,43-47H,6-9H2,1H3</td><td>COC1=C(O)C2=C(OC(=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)(CO)C3O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O</td><td>-3.685847431135205</td><td>6.896420818445032</td><td><a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000701">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="702"><td></td><td><a href="/entries/PHUB000702">Quercetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000702</td><td>702</td><td>302.042652662</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td>2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; 3,5,7,3',4'-Pentahydroxyflavone; Meletin; Quercetine; Quercetol; Sophoretin</td><td class="structure"><img data-src="/structures/PHUB000702/image.svg" src="" /></td><td>REFJWTPEDVJJIY-UHFFFAOYSA-N</td><td>117-39-5</td><td>2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one</td><td>302.238</td><td>2.61e-01 g/l</td><td>1.81</td><td>-3.06</td><td>
8InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H</td><td>OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1</td><td>-3.9896446830151295</td><td>6.379031589669055</td><td><a href="/food_sources/169">Acerola</a> / <a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/6">Angelica</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/213">European cranberry</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/107">Parsnip</a> / <a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB001129">2,4,6-Trihydroxybenzoic acid</a> / <a href="/entries/PHUB001130">2-Methoxyphenylacetic acid</a> / <a href="/entries/PHUB001132">4-Ethylbenzoic acid</a> / <a href="/entries/PHUB000540">4-Ethylphenol</a> / <a href="/entries/PHUB000297">Benzoic acid</a> / <a href="/entries/PHUB000662">Isorhamnetin</a> / <a href="/entries/PHUB000666">Isorhamnetin 3-O-glucuronide</a> / <a href="/entries/PHUB001138">Isorhamnetin 7-O-glucuronide</a> / <a href="/entries/PHUB001126">Phloroglucinol</a> / <a href="/entries/PHUB000310">Protocatechuic acid</a> / <a href="/entries/PHUB001141">Quercetin 3'-O-glucuronide</a> / <a href="/entries/PHUB000712">Quercetin 3-O-glucuronide</a> / <a href="/entries/PHUB001143">Quercetin 4'-O-glucuronide</a> / <a href="/entries/PHUB001144">Quercetin 7-O-glucuronide</a> / <a href="/entries/PHUB001145">Quercetin glucuronide</a> / <a href="/entries/PHUB001311">Quercetin diglucuronide</a> / <a href="/entries/PHUB001312">Methylquercetin diglucuronide</a> / <a href="/entries/PHUB001314">Quercetin sulfo-glucuronide</a> / <a href="/entries/PHUB001315">Isorhamnetin 4'-O-glucuronide</a> / <a href="/entries/PHUB001316">Quercetin 3'-O-sulfate</a> / <a href="/entries/PHUB001317">Quercetin sulfate</a> / <a href="/entries/PHUB000605">Phloretic acid</a> / <a href="/entries/PHUB001580">Quercetin 7-O-sulfate</a> / <a href="/entries/PHUB000527">3',4'-Dihydroxyphenylacetic acid</a> / <a href="/entries/PHUB000617">
8Homovanillic acid</a> / <a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001334">4-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001048">3'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB001146">Tamarixetin</a> / <a href="/entries/PHUB003023">Resorcinol glucuronide</a> / <a href="/entries/PHUB000668">Isorhamnetin 4'-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000702">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="703"><td></td><td><a href="/entries/PHUB000703">Quercetin 3,4'-O-diglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000703</td><td>703</td><td>626.148299506</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Quercetin 3,4'-di-O-beta-D-glucopyranoside; quercetin 3,4'-di-O-β-D-glucoside; Quercetin 3,4'-diglucoside</td><td class="structure"><img data-src="/structures/PHUB000703/image.svg" src="" /></td><td>RPVIQWDFJPYNJM-GOZNNCQSNA-N</td><td>29125-80-2</td><td>5,7-dihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>626.52</td><td>4.59e+00 g/l</td><td>-0.80</td><td>-2.13</td><td> InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1</td><td>C1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O)O)=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O</td><td>-3.6483953952505517</td><td>6.374776309460325</td><td><a href="/food_sources/70">Onion</a> / <a href="/food_sources/401">red onion</a></td><td><a href="/entries/PHUB001316">Quercetin 3'-O-sulfate</a> / <a href="/entries/PHUB000712">Quercetin 3-O-glucuronide</a> / <a href="/entries/PHUB000666">Isorhamnetin 3-O-glucuronide</a> / <a href="/entries/PHUB001311">Quercetin diglucuronide</a> / <a href="/entries/PHUB001314">Quercetin sulfo-glucuronide</a> / <a href="/entries/PHUB001141">Quercetin 3'-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000703">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="704"><td></td><td><a href="/entries/PHUB000704">Quercetin 3-O-(6''-malonyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000704</td><td>704</td><td>550.095870008</td><td>C<sub>24</sub>H<sub>22</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000704/image.svg" src="" /></td><td>NBQPHANHNTWDML-UJKBSQBPSA-N</td><td></td><td>3-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid</td><td>550.425</td><td>1.16e+00 g/l</td><td>1.14</td><td>-2.68</td><td>InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1</td><td>O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@@H]1O</td><td>-3.649103074934182</td><td>3.4854665081416645</td><td><a href="/food_sources/89">Lettuce</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000704">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="705"><td></td><td><a href="/entries/PHUB000705">Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000705</td><td>705</td><td>712.14869343</td><td>C<sub>30</sub>H<sub>32</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000705/image.svg" src="" /></td><td>ZLQYEKDHCDLAGO-UHFFFAOYSA-N</td><td></td><td>3-[(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid</td><td>712.566</td><td>2.86e+00 g/l</td><td>-0.01</td><td>-2.40</td><td>InChI=1S/C30H32O20/c31-7-15-20(38)23(41)25(43)29(48-15)46-10-4-13(34)19-14(5-10)47-27(9-1-2-11(32)12(33)3-9)28(22(19)40)50-30-26(44)24(42)21(39)16(49-30)8-45-18(37)6-17(35)36/h1-5,15-16,20-21,23-26,29-34,38-39,41-44H,6-8H2,(H,35,36)</td><td>OCC1OC(OC2=CC3=C(C(O)=C2)C(=O)C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)=C(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O</td><td>-3.6789465967304102</td><td>3.485920672571437</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000705">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="706"><td></td><td><a href="/entries/PHUB000706">Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000706</td><td>706</td><td>652.16394957</td><td>C<sub>29</sub>H<sub>32</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000706/image.svg" src="" /></td><td>QBFLREGYLMFMCL-UHFFFAOYSA-N</td><td></td><td>(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate</td><td>652.558</td><td>1.84e+00 g/l</td><td>0.42</td><td>-2.55</td><td>InChI=1S/C29H32O17/c1-9-19(34)22(37)24(39)28(42-9)43-12-6-15(33)18-16(7-12)44-26(11-3-4-13(31)14(32)5-11)27(21(18)36)46-29-25(40)23(38)20(35)17(45-29)8-41-10(2)30/h3-7,9,17,19-20,22-25,28-29,31-35,37-40H,8H2,1-2H3</td><td>CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O</td><td>-3.649102864442661</td><td>7.083800052069922</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000706">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="707"><td></td><td><a href="/entries/PHUB000707">Quercetin 3-O-acetyl-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000707</td><td>707</td><td>490.111126148</td><td>C<sub>23</sub>H<sub>22</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000707/image.svg" src="" /></td><td>QYSPPPJDISHVRH-UHFFFAOYSA-N</td><td></td><td>2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl acetate</td><td>490.417</td><td>1.15e+00 g/l</td><td>2.39</td><td>-2.63</td><td>InChI=1S/C23H22O12/c1-8-17(29)19(31)22(33-9(2)24)23(32-8)35-21-18(30)16-14(28)6-11(25)7-15(16)34-20(21)10-3-4-12(26)13(27)5-10/h3-8,17,19,22-23,25-29,31H,1-2H3</td><td>CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)C(OC(C)=O)C(O)C1O</td><td>-3.612922572809443</td><td>6.372403248635596</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000707">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="708"><td></td><td><a href="/entries/PHUB000708">Quercetin 3-O-galactoside 7-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000708</td><td>708</td><td>610.153384886</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000708/image.svg" src="" /></td><td>OTUCXMIQUNROBJ-QMDWLNLESA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one</td><td>610.521</td><td>3.37e+00 g/l</td><td>-0.24</td><td>-2.26</td><td>InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,23+,26-,27-/m1/s1</td><td>C[C@H]1O[C@H](OC2=CC(O)=C3C(=O)C(O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)=C(OC3=C2)C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6483953952505517</td><td>7.083800054220682</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000708">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="709"><td></td><td><a href="/entries/PHUB000709">Quercetin 3-O-glucosyl-rhamnosyl-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000709</td><td>709</td><td>772.206208308</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>21</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000709/image.svg" src="" /></td><td>XEFNBVWDOQCMSG-NMNTUQBFSA-N</td><td></td><td>3-{[(2R,3S,4R,5S,6S)-6-({[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one</td><td>772.662</td><td>1.04e+01 g/l</td><td>-0.56</td><td>-1.87</td><td>InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m1/s1</td><td>C[C@H]1O[C@H](OC[C@@H]2O[C@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O</td><td>-3.6789566937010867</td><td>6.372404742399407</td><td><a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000709">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="710"><td></td><td><a href="/entries/PHUB000710">Quercetin 3-O-glucosyl-rhamnosyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000710</td><td>710</td><td>772.206208308</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>21</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000710/image.svg" src="" /></td><td>XEFNBVWDOQCMSG-SMBODKLQSA-N</td><td></td><td>3-{[(2R,3S,4R,5R,6S)-6-({[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one</td><td>772.662</td><td>1.04e+01 g/l</td><td>-0.56</td><td>-1.87</td><td>InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21+,23-,24-,25+,26+,27+,29+,31+,32-,33-/m1/s1</td><td>C[C@H]1O[C@H](OC[C@@H]2O[C@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O</td><td>-3.6789566937010867</td><td>6.372404742399407</td><td><a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000710">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="711"><td></td><td><a href="/entries/PHUB000711">Quercetin 3-O-glucosyl-xyloside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000711</td><td>711</td><td>596.137734822</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000711/image.svg" src="" /></td><td>ZFGBNYDDAJMWAZ-QVIYDXLUSA-N</td><td></td><td>3-{[(2R,3S,4R,5R,6S)-6-({[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one</td><td>596.494</td><td>3.65e+00 g/l</td><td>-0.08</td><td>-2.21</td><td>InChI=1S/C26H28O16/c27-6-14-17(32)21(36)25(40-14)38-7-15-18(33)20(35)22(37)26(41-15)42-24-19(34)16-12(31)4-9(28)5-13(16)39-23(24)8-1-2-10(29)11(30)3-8/h1-5,14-15,17-18,20-22,25-33,35-37H,6-7H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m0/s1</td><td>OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</td><td>-3.6789566937011435</td><td>6.372405085874529</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000711">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="712"><td></td><td><a href="/entries/PHUB000712">Quercetin 3-O-glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000712</td><td>712</td><td>478.07474064</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td>miquelianin; quercetin-3-O-glucoronoside; quercetin-3-O-β-D-glucuronopyranoside; quercituron</td><td class="structure"><img data-src="/structures/PHUB000712/image.svg" src="" /></td><td>DUBCCGAQYVUYEU-UHFFFAOYSA-N</td><td>22688-79-5</td><td>6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>478.362</td><td>2.40e+00 g/l</td><td>1.37</td><td>-2.30</td><td>InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)</td><td>OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O</td><td>-3.731998699389075</td><td>2.6505516813380208</td><td><a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB000712">Quercetin 3-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000712">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="713"><td></td><td><a href="/entries/PHUB000713">Quercetin 3-O-rhamnosyl-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000713</td><td>713</td><td>610.153384886</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000713/image.svg" src="" /></td><td>FYBMGZSDYDNBFX-FRGHCPTHSA-N</td><td></td><td>3-{[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one</td><td>610.521</td><td>4.78e+00 g/l</td><td>0.15</td><td>-2.11</td><td>InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m1/s1</td><td>C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@H](CO)O[C@@H]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6486922489573996</td><td>6.372404347504425</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000713">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="714"><td></td><td><a href="/entries/PHUB000714">Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000714</td><td>714</td><td>756.211293688</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2)-rhamnosyl-(1-&gt; 6)-glucoside; Quercetin 3-O-rhamnosyl-(1-&gt</td><td class="structure"><img data-src="/structures/PHUB000714/image.svg" src="" /></td><td>PWFJILMZPHBSAY-YXVKQPDWSA-N</td><td></td><td>3-{[(2R,3S,4R,5S,6S)-6-({[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one</td><td>756.663</td><td>6.15e+00 g/l</td><td>-0.09</td><td>-2.09</td><td>InChI=1S/C33H40O20/c1-9-19(38)22(41)25(44)32(48-9)52-28-10(2)49-31(27(46)24(28)43)47-8-17-20(39)23(42)26(45)33(51-17)53-30-21(40)18-15(37)6-12(34)7-16(18)50-29(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-20,22-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,22+,23-,24-,25+,26+,27+,28-,31+,32-,33-/m1/s1</td><td>C[C@H]1O[C@H](O[C@@H]2[C@@H](C)O[C@H](OC[C@@H]3O[C@H](OC4=C(OC5=CC(O)=CC(O)=C5C4=O)C4=CC(O)=C(O)C=C4)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O</td><td>-3.683361362474353</td><td>6.372404755503032</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000714">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="715"><td></td><td><a href="/entries/PHUB000715">Quercetin 3-O-sophoroside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000715</td><td>715</td><td>626.148299506</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000715/image.svg" src="" /></td><td>RDUAJIJVNHKTQC-WWXIKMEQSA-N</td><td></td><td>3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one</td><td>626.52</td><td>7.32e+00 g/l</td><td>-0.50</td><td>-1.93</td><td>InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m0/s1</td><td>OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.648692248998897</td><td>6.372404346007546</td><td><a href="/food_sources/19">Broccoli</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000715">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="716"><td></td><td><a href="/entries/PHUB000716">Quercetin 3-O-xyloside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000716</td><td>716</td><td>434.0849114</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-xylopyranoside; Quercetin 3-glycosides; Monoglycosides, 3-O-β-D-Xylopyranoside; quercetin-3-O-β-D-xylopyranoside; Reynoutrin</td><td class="structure"><img data-src="/structures/PHUB000716/image.svg" src="" /></td><td>PZZRDJXEMZMZFD-NLUOOAQGSA-N</td><td>549-32-6</td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-4H-chromen-4-one</td><td>434.353</td><td>1.38e+00 g/l</td><td>0.70</td><td>-2.50</td><td>InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20?/m0/s1</td><td>O[C@H]1COC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@@H](O)[C@@H]1O</td><td>-3.526598553289411</td><td>6.372406805937166</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/157">Blackberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000716">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="717"><td></td><td><a href="/entries/PHUB000717">Quercetin 3-O-xylosyl-glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000717</td><td>717</td><td>610.116999377</td><td>C<sub>26</sub>H<sub>26</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000717/image.svg" src="" /></td><td>DKHSNOLJPXJJMD-GQDNDFQBSA-N</td><td></td><td>(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl (2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate</td><td>610.477</td><td>5.45e+00 g/l</td><td>0.33</td><td>-2.05</td><td>InChI=1S/C26H26O17/c27-6-13-15(32)19(36)25(40-13)43-24(38)23-18(35)17(34)20(37)26(42-23)41-22-16(33)14-11(31)4-8(28)5-12(14)39-21(22)7-1-2-9(29)10(30)3-7/h1-5,13,15,17-20,23,25-32,34-37H,6H2/t13-,15+,17+,18+,19-,20-,23+,25+,26-/m1/s1</td><td>OC[C@H]1O[C@@H](OC(=O)[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O</td><td>-3.686835180709395</td><td>6.372403602829371</td><td><a href="/food_sources/157">Blackberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000717">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="718"><td></td><td><a href="/entries/PHUB000718">Quercetin 3-O-xylosyl-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000718</td><td>718</td><td>742.195643624</td><td>C<sub>32</sub>H<sub>38</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000718/image.svg" src="" /></td><td>RLTNQOUWXZXZCS-MGURYUNNSA-N</td><td></td><td>3-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-3-{[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one</td><td>742.636</td><td>9.23e+00 g/l</td><td>-0.38</td><td>-1.91</td><td>InChI=1S/C32H38O20/c1-9-19(38)23(42)26(45)30(48-9)47-8-17-21(40)24(43)29(52-31-25(44)20(39)15(37)7-46-31)32(50-17)51-28-22(41)18-14(36)5-11(33)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23+,24-,25+,26+,29+,30+,31-,32-/m1/s1</td><td>C[C@H]1O[C@H](OC[C@@H]2O[C@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@@H](O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O</td><td>-3.676496932449043</td><td>6.372404006048783</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000718">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="719"><td></td><td><a href="/entries/PHUB000719">Quercetin 7,4'-O-diglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000719</td><td>719</td><td>626.148299506</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000719/image.svg" src="" /></td><td>QZXHFNCQMMUANB-UINLEYECSA-N</td><td></td><td>3,5-dihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>626.52</td><td>3.23e+00 g/l</td><td>-0.81</td><td>-2.29</td><td>InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-9-4-11(31)16-13(5-9)41-25(22(37)19(16)34)8-1-2-12(10(30)3-8)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2/t14-,15-,17-,18-,20+,21+,23-,24-,26-,27-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6483953658733808</td><td>7.089659355113299</td><td><a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000719">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="720"><td></td><td><a href="/entries/PHUB000720">Quercitrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000720</td><td>720</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Quercetin 3-O-rhamnoside; Quercetrin; Quercitin</td><td class="structure"><img data-src="/structures/PHUB000720/image.svg" src="" /></td><td>OXGUCUVFOIWWQJ-VTYNJFMCSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one</td><td>448.38</td><td>1.79e+00 g/l</td><td>1.31</td><td>-2.40</td><td>InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m1/s1</td><td>C[C@H]1O[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O</td><td>-3.6122004081725936</td><td>6.372405738137058</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/133">Rooibos tea</a></td><td><a href="/entries/PHUB000662">Isorhamnetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000720">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="721"><td></td><td><a href="/entries/PHUB000721">Rhamnetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000721</td><td>721</td><td>316.058302726</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7-Methyl-quercetin</td><td class="structure"><img data-src="/structures/PHUB000721/image.svg" src="" /></td><td>JGUZGNYPMHHYRK-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one</td><td>316.265</td><td>1.50e-01 g/l</td><td>1.97</td><td>-3.33</td><td>InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3</td><td>COC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(O)=C(O)C=C1</td><td>-3.9555523339879035</td><td>7.12884478998072</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000721">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="722"><td></td><td><a href="/entries/PHUB000722">Rutin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000722</td><td>722</td><td>610.153384886</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Birutan; Quercetin 3-O-rhamnosyl-glucoside; Quercetin 3-O-rutinoside; Quercetin 3-rutinoside; Rutinic acid; Rutoside; Sophorin; Vitamin P</td><td class="structure"><img data-src="/structures/PHUB000722/image.svg" src="" /></td><td>IKGXIBQEEMLURG-GGFYDIPBSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>610.521</td><td>3.54e+00 g/l</td><td>0.15</td><td>-2.24</td><td>InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m1/s1</td><td>C[C@H]1O[C@H](OC[C@@H]2O[C@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O</td><td>-3.676496932449043</td><td>6.372405087704667</td><td><a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/9">Asparagus</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/337">Mate</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/133">Rooibos tea</a> / <a href="/food_sources/271">Star anise</a> / <a href="/food_sources/147">Sweet cherry</a></td><td><a href="/entries/PHUB000527">3',4'-Dihydroxyphenylacetic acid</a> / <a href="/entries/PHUB000617">
8Homovanillic acid</a> / <a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001334">4-Hydroxyhippuric acid</a> / <a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB001048">3'-Hydroxyphenylacetic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000722">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="723"><td></td><td><a href="/entries/PHUB000723">Spinacetin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000723</td><td>723</td><td>978.26411711</td><td>C<sub>44</sub>H<sub>50</sub>O<sub>25</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000723/image.svg" src="" /></td><td>OWEXXLIDPNHERV-LXEZMJNLSA-N</td><td></td><td>(2S,3S,4R,5R,6R)-2-{[(3R,4S,5S,6R)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-5-{[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate</td><td>978.859</td><td>1.22e+00 g/l</td><td>1.07</td><td>-2.90</td><td>InChI=1S/C44H50O25/c1-59-22-10-17(4-7-19(22)47)5-9-27(50)67-38-33(55)29(51)25(13-45)65-41(38)62-14-26-30(52)34(56)39(69-43-40(57)44(58,15-46)16-63-43)42(66-26)68-37-32(54)28-24(12-21(49)36(61-3)31(28)53)64-35(37)18-6-8-20(48)23(11-18)60-2/h4-12,25-26,29-30,33-34,38-43,45-49,51-53,55-58H,13-16H2,1-3H3/b9-5+/t25-,26?,29+,30+,33-,34+,38+,39+,40-,41+,42-,43-,44+/m1/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H]2[C@@H](OCC3O[C@H](OC4=C(OC5=CC(O)=C(OC)C(O)=C5C4=O)C4=CC(OC)=C(O)C=C4)[C@@H](O[C@H]4OC[C@@](O)(CO)[C@@H]4O)[C@@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)=C1</td><td>-3.6858474311441003</td><td>6.902278288148518</td><td><a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000723">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="724"><td></td><td><a href="/entries/PHUB000724">Spinacetin 3-O-(2''-p-coumaroylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000724</td><td>724</td><td>948.253552426</td><td>C<sub>43</sub>H<sub>48</sub>O<sub>24</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000724/image.svg" src="" /></td><td>CRMQLXUPYMVANT-RXEOWQBESA-N</td><td></td><td>(2S,3S,4R,5R,6R)-2-{[(3R,4R,5S,6R)-6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-5-{[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate</td><td>948.833</td><td>1.25e+00 g/l</td><td>1.03</td><td>-2.88</td><td>InChI=1S/C43H48O24/c1-58-22-11-18(6-9-20(22)47)34-36(31(53)27-23(62-34)12-21(48)35(59-2)30(27)52)66-41-38(67-42-39(56)43(57,15-45)16-61-42)33(55)29(51)25(64-41)14-60-40-37(32(54)28(50)24(13-44)63-40)65-26(49)10-5-17-3-7-19(46)8-4-17/h3-12,24-25,28-29,32-33,37-42,44-48,50-52,54-57H,13-16H2,1-2H3/b10-5+/t24-,25?,28+,29+,32-,33-,37+,38+,39-,40+,41-,42-,43+/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=C(O[C@H]2OC(CO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3OC(=O)\C=C\C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2OC[C@@](O)(CO)[C@@H]2O)C(=O)C2=C(O)C(OC)=C(O)C=C2O1</td><td>-3.6858474311441003</td><td>6.901364376831048</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000724">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="725"><td></td><td><a href="/entries/PHUB000725">Spinacetin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000725</td><td>725</td><td>802.216772992</td><td>C<sub>34</sub>H<sub>42</sub>O<sub>22</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000725/image.svg" src="" /></td><td>NVYWCFHFPXGDKS-UHFFFAOYSA-N</td><td></td><td>3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one</td><td>802.688</td><td>7.33e+00 g/l</td><td>-0.67</td><td>-2.04</td><td>InChI=1S/C34H42O22/c1-48-14-5-11(3-4-12(14)37)26-28(22(42)18-15(52-26)6-13(38)27(49-2)21(18)41)55-32-29(56-33-30(46)34(47,9-36)10-51-33)24(44)20(40)17(54-32)8-50-31-25(45)23(43)19(39)16(7-35)53-31/h3-6,16-17,19-20,23-25,29-33,35-41,43-47H,7-10H2,1-2H3</td><td>COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OCC(O)(CO)C2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O</td><td>-3.6786130721304944</td><td>6.902747375608618</td><td><a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000725">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="726"><td></td><td><a href="/entries/PHUB000726">Spinacetin 3-O-glucosyl-(1->6)-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000726</td><td>726</td><td>670.174514255</td><td>C<sub>29</sub>H<sub>34</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000726/image.svg" src="" /></td><td>ZZNVCZGRNCQHCQ-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>670.573</td><td>3.76e+00 g/l</td><td>-0.31</td><td>-2.25</td><td>InChI=1S/C29H34O18/c1-41-12-5-9(3-4-10(12)31)25-27(20(36)16-13(44-25)6-11(32)26(42-2)19(16)35)47-29-24(40)22(38)18(34)15(46-29)8-43-28-23(39)21(37)17(33)14(7-30)45-28/h3-6,14-15,17-18,21-24,28-35,37-40H,7-8H2,1-2H3</td><td>COC1=CC(=CC=C1O)C1=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O</td><td>-3.6486860438288162</td><td>6.902751336003259</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000726">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="728"><td></td><td><a href="/entries/PHUB000728">Trifolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000728</td><td>728</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Kaempferol 3-O-galactoside</td><td class="structure"><img data-src="/structures/PHUB000728/image.svg" src="" /></td><td>JPUKWEQWGBDDQB-MDYSSOIXSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>448.38</td><td>1.58e+00 g/l</td><td>0.52</td><td>-2.45</td><td>InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21?/m0/s1</td><td>OC[C@@H]1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@@H]1O</td><td>-2.98109237118166</td><td>6.3723484229657545</td><td><a href="/food_sources/297">Black tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000728">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="729"><td></td><td><a href="/entries/PHUB000729">Quercetin 4'-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000729</td><td>729</td><td>464.095476084</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,3',4',5,7-Pentahydroxyflavone; 4'-O-β-D-Glucopyranoside; Quercetin 4'-glucoside; quercetin 4ʼ-O-β-D-glucopyranoside; Spiraein; Spiraeoside</td><td class="structure"><img data-src="/structures/PHUB000729/image.svg" src="" /></td><td>OIUBYZLTFSLSBY-HMGRVEAOSA-N</td><td>20229-56-5</td><td>3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one</td><td>464.379</td><td>1.59e+00 g/l</td><td>0.63</td><td>-2.46</td><td>InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810923549038426</td><td>6.38136982725467</td><td><a href="/food_sources/70">Onion</a> / <a href="/food_sources/401">red onion</a></td><td><a href="/entries/PHUB000662">Isorhamnetin</a> / <a href="/entries/PHUB001146">Tamarixetin</a> / <a href="/entries/PHUB001313">Quercetin glucose glucuronide</a> / <a href="/entries/PHUB001316">Quercetin 3'-O-sulfate</a> / <a href="/entries/PHUB000712">Quercetin 3-O-glucuronide</a> / <a href="/entries/PHUB000666">Isorhamnetin 3-O-glucuronide</a> / <a href="/entries/PHUB001314">Quercetin sulfo-glucuronide</a> / <a href="/entries/PHUB001311">Quercetin diglucuronide</a> / <a href="/entries/PHUB001141">Quercetin 3'-O-glucuronide</a> / <a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000729">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="730"><td></td><td><a href="/entries/PHUB000730">Castalagin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000730</td><td>730</td><td>934.071230957</td><td>C<sub>41</sub>H<sub>26</sub>O<sub>26</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000730/image.svg" src="" /></td><td>UDYKDZHZAKSYCO-YREZVWEMSA-N</td><td></td><td>(1S,2S,20S,42R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1^{38,42}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,45}.0^{34,39}]hexatetraconta-5,7,9,11,13,15,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone</td><td>934.633</td><td>5.79e+00 g/l</td><td>2.74</td><td>-2.21</td><td>InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11-,31?,34-,35+,36+/m0/s1</td><td>OC1[C@H]2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)O[C@H]1COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)O[C@@H]1[C@H]2OC3=O</td><td>-6.177204321276063</td><td>6.838155491727213</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000730">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="731"><td></td><td><a href="/entries/PHUB000731">Castalin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000731</td><td>731</td><td>632.064963804</td><td>C<sub>27</sub>H<sub>20</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000731/image.svg" src="" /></td><td>PPUHUWSVCUJGTD-WGPLYWIGSA-N</td><td></td><td>(1R,2R,24S,25S)-7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.1^{2,6}.0^{5,10}.0^{11,28}.0^{16,21}]nonacosa-5(10),6,8,11(28),12,14,16,18,20-nonaene-4,22,27-trione</td><td>632.439</td><td>1.38e+01 g/l</td><td>1.14</td><td>-1.66</td><td>InChI=1S/C27H20O18/c28-2-5-14(31)23-24-20(37)12-11(27(42)45-24)9(18(35)22(39)19(12)36)8-10(26(41)44-23)7(16(33)21(38)17(8)34)6-3(25(40)43-5)1-4(29)13(30)15(6)32/h1,5,14,20,23-24,28-39H,2H2/t5-,14-,20?,23+,24+/m0/s1</td><td>OC[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C3=C2C(=O)O[C@@H]([C@@H]2OC(=O)C4=C3C(O)=C(O)C(O)=C4C2O)[C@H]1O</td><td>-5.356890359953937</td><td>6.820756825957909</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000731">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="732"><td></td><td><a href="/entries/PHUB000732">Casuarictin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000732</td><td>732</td><td>936.086881022</td><td>C<sub>41</sub>H<sub>28</sub>O<sub>26</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000732/image.svg" src="" /></td><td>SWRFKGRMQVLMKA-UHFFFAOYSA-N</td><td></td><td>7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate</td><td>936.649</td><td>1.39e+00 g/l</td><td>3.22</td><td>-2.83</td><td>InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2</td><td>OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12</td><td>-6.1733818883958005</td><td>6.856283289552201</td><td><a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000732">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="733"><td></td><td><a href="/entries/PHUB000733">Casuarinin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000733</td><td>733</td><td>936.086881022</td><td>C<sub>41</sub>H<sub>28</sub>O<sub>26</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000733/image.svg" src="" /></td><td>MMQXBTULXAEKQE-YEMMZNTFSA-N</td><td></td><td>(10S,11S)-10-[(14S,15R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1,3,5(18),6(11),7,9-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl 3,4,5-trihydroxybenzoate</td><td>936.649</td><td>2.18e+00 g/l</td><td>2.89</td><td>-2.63</td><td>InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32?,34-,35+,36+/m0/s1</td><td>OC1[C@H]2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C(C=C(O)C(O)=C1O)C(=O)O[C@@H]2[C@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1</td><td>-5.356255239952885</td><td>6.910140247118404</td><td><a href="/food_sources/50">Common walnut</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000733">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="734"><td></td><td><a href="/entries/PHUB000734">Geraniin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000734</td><td>734</td><td>952.081795642</td><td>C<sub>41</sub>H<sub>28</sub>O<sub>27</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000734/image.svg" src="" /></td><td>JQQBXPCJFAKSPG-QWSQOOQLSA-N</td><td></td><td>(1S,7S,8R,26S,28R,29S,38S)-1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.0^{4,38}.0^{7,26}.0^{8,29}.0^{11,16}.0^{17,22}.0^{32,37}]tetraconta-3,11(16),12,14,17(22),18,20,32,34,36-decaen-28-yl 3,4,5-trihydroxybenzoate</td><td>952.648</td><td>5.66e+00 g/l</td><td>2.36</td><td>-2.23</td><td>InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m0/s1</td><td>OC1=CC(=CC(O)=C1O)C(=O)O[C@H]1O[C@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]3[C@H]2OC(=O)C2=CC(=O)[C@@]4(O)OC5=C([C@@H]2C4(O)O)C(=CC(O)=C5O)C(=O)O[C@H]13</td><td>-5.554812305450288</td><td>7.088326009137934</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000734">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="735"><td></td><td><a href="/entries/PHUB000735">Lambertianin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000735</td><td>735</td><td>1870.158111979</td><td>C<sub>82</sub>H<sub>54</sub>O<sub>52</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000735/image.svg" src="" /></td><td>FFZOOOCGCNFHAQ-UHFFFAOYSA-N</td><td></td><td>7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-20-yl 3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoate</td><td>1871.282</td><td>3.21e+00 g/l</td><td>4.03</td><td>-2.77</td><td>InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2</td><td>OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(C=C(O)C(O)=C6O)C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12</td><td>-6.413861922756077</td><td>6.999165653619181</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000735">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="736"><td></td><td><a href="/entries/PHUB000736">
8Lambertianin B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000736</td><td>736</td><td>1718.14715337</td><td>C<sub>75</sub>H<sub>50</sub>O<sub>48</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000736/image.svg" src="" /></td><td>MFFFFOUPJAFCQB-UHFFFAOYSA-N</td><td></td><td>36-({7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl}oxy)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate</td><td>1719.177</td><td>6.62e+00 g/l</td><td>3.80</td><td>-2.41</td><td>InChI=1S/C75H50O48/c76-20-1-12(2-21(77)40(20)85)65(103)123-75-64-62(119-70(108)17-7-26(82)44(89)51(96)34(17)36-19(72(110)121-64)9-28(84)46(91)53(36)98)59-30(115-75)11-113-67(105)14-4-23(79)47(92)54(99)37(14)38-39(73(111)117-59)60(57(102)56(101)55(38)100)122-74-63-61(118-69(107)16-6-25(81)43(88)50(95)33(16)35-18(71(109)120-63)8-27(83)45(90)52(35)97)58-29(114-74)10-112-66(104)13-3-22(78)41(86)48(93)31(13)32-15(68(106)116-58)5-24(80)42(87)49(32)94/h1-9,29-30,58-59,61-64,74-102H,10-11H2</td><td>OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C(OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=C6C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12</td><td>-5.199822152075522</td><td>7.150271105457568</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000736">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="737"><td></td><td><a href="/entries/PHUB000737">Lambertianin C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000737</td><td>737</td><td>2804.229342936</td><td>C<sub>123</sub>H<sub>80</sub>O<sub>78</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000737/image.svg" src="" /></td><td>KPIIQBZSYJKNLJ-UHFFFAOYSA-N</td><td>153059-16-6</td><td>36-{5-[({7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl}oxy)carbonyl]-2,3-dihydroxyphenoxy}-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoate</td><td>2805.915</td><td>8.14e+00 g/l</td><td>4.42</td><td>-2.54</td><td>InChI=1S/C123H80O78/c124-33-1-20(2-34(125)66(33)138)106(167)199-121-104-101(194-114(175)28-12-42(133)72(144)82(154)55(28)58-31(117(178)197-104)15-45(136)75(147)85(58)157)96-50(188-121)18-183-110(171)24-8-38(129)77(149)87(159)60(24)62-64(119(180)191-96)98(93(165)91(163)89(62)161)186-48-6-22(4-36(127)68(48)140)108(169)201-123-105-102(195-115(176)29-13-43(134)73(145)83(155)56(29)59-32(118(179)198-105)16-46(137)76(148)86(59)158)97-51(189-123)19-184-111(172)25-9
8-39(130)78(150)88(160)61(25)63-65(120(181)192-97)99(94(166)92(164)90(63)162)185-47-5-21(3-35(126)67(47)139)107(168)200-122-103-100(193-113(174)27-11-41(132)71(143)81(153)54(27)57-30(116(177)196-103)14-44(135)74(146)84(57)156)95-49(187-122)17-182-109(170)23-7-37(128)69(141)79(151)52(23)53-26(112(173)190-95)10-40(131)70(142)80(53)152/h1-16,49-51,95-97,100-105,121-166H,17-19H2</td><td>OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C(OC7=CC(=CC(O)=C7O)C(=O)OC7OC8COC(=O)C9=C(C(O)=C(O)C(O)=C9)C9=C(O)C(O)=C(O)C=C9C(=O)OC8C8OC(=O)C9=CC(O)=C(O)C(O)=C9C9=C(O)C(O)=C(O)C=C9C(=O)OC78)=C6C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12</td><td>-6.413861922756077</td><td>6.924097751075823</td><td><a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/256">Red raspberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000737">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="738"><td></td><td><a href="/entries/PHUB000738">Lambertianin D</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000738</td><td>738</td><td>3738.300573893</td><td>C<sub>164</sub>H<sub>106</sub>O<sub>104</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000738/image.svg" src="" /></td><td>WZQCGDLPTFKQNG-UHFFFAOYSA-N</td><td></td><td>7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3-{[20-(3-{[20-(3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoyloxy)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoyloxy)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoate</td><td>3740.548</td><td></td><td></td><td></td><td>InChI=1S/C164H106O104/c165-43-1-26(2-44(166)87(43)183)141(222)265-161-138-134(258-151(232)36-15-54(176)94(190)107(203)71(36)75-40(155(236)262-138)19-58(180)98(194)111(75)207)127-65(250-161)23-243-146(227)31-10-49(171)101(197)114(210)78(31)81-84(158(239)254-127)130(123(219)120(216)117(81)213)247-62-7-28(4-46(168)89(62)185)143(224)267-163-140-136(260-153(234)38-17-56(178)96(192)109(205)73(38)77-42(157(238)264-140)21-60(182)100(196)113(77)209)129-67(252-163)25-245-148(229)33-12-51(173)103(199)116(212)80(33)83-86(160(241)256-129)132(125(221)122(218)119(83)215)248-63-8-29(5-47(169)90(63)186)144(225)268-164-139-135(259-152(233)37-16-55(177)95(191)108(204)72(37)76-41(156(237)263-139)20-59(181)99(195)112(76)208)128-66(251-164)24-244-147(228)32-11-50(172)102(198)115(211)79(32)82-85(159(240)255-128)131(124(220)121(217)118(82)214)246-61-6-27(3-45(167)88(61)184)142(223)266-162-137-133(257-150(231)35-14-53(175)93(189)106(202)70(35)74-39(154(235)261-137)18-57(179)97(193)110(74)206)126-64(249-162)22-242-145(226)30-9-48(170)91(187)104(200)68(30)69-34(149(230)253-126)13-52(174)92(188)105(69)201/h1-21,64-67,126-129,133-140,161-221H,22-25H2</td><td>
8OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C(OC7=CC(=CC(O)=C7O)C(=O)OC7OC8COC(=O)C9=C(C(O)=C(O)C(O)=C9)C9=C(O)C(O)=C(O)C(OC%10=CC(=CC(O)=C%10O)C(=O)OC%10OC%11COC(=O)C%12=C(C(O)=C(O)C(O)=C%12)C%12=C(O)C(O)=C(O)C=C%12C(=O)OC%11C%11OC(=O)C%12=C(C(O)=C(O)C(O)=C%12)C%12=C(O)C(O)=C(O)C=C%12C(=O)OC%10%11)=C9C(=O)OC8C8OC(=O)C9=C(C(O)=C(O)C(O)=C9)C9=C(O)C(O)=C(O)C=C9C(=O)OC78)=C6C(=O)OC5C5OC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C3C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12</td><td>-6.413861922756077</td><td>6.889023453010189</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000738">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="739"><td></td><td><a href="/entries/PHUB000739">Pedunculagin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000739</td><td>739</td><td>782.096657857</td><td>C<sub>35</sub>H<sub>26</sub>O<sub>21</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000739/image.svg" src="" /></td><td>WZXIBMBWCQROBO-UHFFFAOYSA-N</td><td></td><td>7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-20-methyl-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32,34,36-dodecaene-4,17,25,38-tetrone</td><td>782.572</td><td>1.27e+00 g/l</td><td>2.87</td><td>-2.79</td><td>InChI=1S/C35H26O21/c1-7-29-31(56-35(51)11-5-15(39)24(43)28(47)20(11)19-9(33(49)54-29)3-13(37)23(42)27(19)46)30-16(53-7)6-52-32(48)8-2-12(36)21(40)25(44)17(8)18-10(34(50)55-30)4-14(38)22(41)26(18)45/h2-5,7,16,29-31,36-47H,6H2,1H3</td><td>CC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12</td><td>-6.173381883333677</td><td>6.856525495685655</td><td><a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/256">Red raspberry</a></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000739">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="740"><td></td><td><a href="/entries/PHUB000740">Potentillin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000740</td><td>740</td><td>936.086881022</td><td>C<sub>41</sub>H<sub>28</sub>O<sub>26</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000740/image.svg" src="" /></td><td>SWRFKGRMQVLMKA-UHFFFAOYSA-N</td><td></td><td>7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate</td><td>936.649</td><td>1.39e+00 g/l</td><td>3.22</td><td>-2.83</td><td>InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2</td><td>
8OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12</td><td>-6.1733818883958005</td><td>6.856283289552201</td><td><a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/256">Red raspberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000740">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="743"><td></td><td><a href="/entries/PHUB000743">Punicalin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000743</td><td>743</td><td>782.060272348</td><td>C<sub>34</sub>H<sub>22</sub>O<sub>22</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000743/image.svg" src="" /></td><td>IQHIEHIKNWLKFB-UHFFFAOYSA-N</td><td></td><td>3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.0^{2,7}.0^{10,15}.0^{19,24}.0^{25,34}.0^{28,33}.0^{32,37}]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone</td><td>782.528</td><td>4.32e+00 g/l</td><td>2.09</td><td>-2.26</td><td>InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2</td><td>OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C4OC(=O)C5=C6C(OC(=O)C3=C46)=C(O)C(O)=C5C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(O)C1O</td><td>-4.815470939648769</td><td>4.319403579723638</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000743">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="744"><td></td><td><a href="/entries/PHUB000744">Punicalin B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000744</td><td>744</td><td>782.060272348</td><td>C<sub>34</sub>H<sub>22</sub>O<sub>22</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000744/image.svg" src="" /></td><td>IQHIEHIKNWLKFB-UHFFFAOYSA-N</td><td></td><td>3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.0^{2,7}.0^{10,15}.0^{19,24}.0^{25,34}.0^{28,33}.0^{32,37}]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone</td><td>782.528</td><td>4.32e+00 g/l</td><td>2.09</td><td>-2.26</td><td>InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2</td><td>OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C4OC(=O)C5=C6C(OC(=O)C3=C46)=C(O)C(O)=C5C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(O)C1O</td><td>-4.815470939648769</td><td>4.319403579723638</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000744">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="745"><td></td><td><a href="/entries/PHUB000745">Punigluconin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000745</td><td>745</td><td>818.081401717</td><td>C<sub>34</sub>H<sub>26</sub>O<sub>24</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000745/image.svg" src="" /></td><td>FVFQELUCRYTKBG-UHFFFAOYSA-N</td><td></td><td>3-[3,4,5,6,17,18,19-heptahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyloxy)-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl]-3-hydroxy-2-(3,4,5-trihydroxybenzoyloxy)propanoic acid</td><td>818.558</td><td>1.62e+00 g/l</td><td>2.60</td><td>-2.70</td><td>InChI=1S/C34H26O24/c35-10-1-7(2-11(36)19(10)40)31(51)56-15-6-55-33(53)9-5-14(39)21(42)22(43)16(9)17-18(24(45)26(47)25(46)23(17)44)34(54)57-28(15)27(48)29(30(49)50)58-32(52)8-3-12(37)20(41)13(38)4-8/h1-5,15,27-29,35-48H,6H2,(H,49,50)</td><td>OC(C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)C1OC(=O)C2=C(O)C(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OCC1OC(=O)C1=CC(O)=C(O)C(O)=C1</td><td>-4.274361601210201</td><td>2.3842560292517834</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000745">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="746"><td></td><td><a href="/entries/PHUB000746">Sanguiin H-10</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000746</td><td>746</td><td>1568.151844826</td><td>C<sub>68</sub>H<sub>48</sub>O<sub>44</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000746/image.svg" src="" /></td><td>GMFLQAPBSLUKQB-UHFFFAOYSA-N</td><td></td><td>3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(19),2(7),3,5,20,22-hexaen-13-yl 3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11(16),12,14,26(31),27,29,32(37),33,35-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoate</td><td>1569.088</td><td>2.37e+00 g/l</td><td>3.70</td><td>-2.82</td><td>InChI=1S/C68H48O44/c69-19-1-12(2-20(70)37(19)77)59(94)112-68-58-57(109-64(99)17-8-25(75)41(81)46(86)32(17)33-18(65(100)110-58)9-26(76)42(82)47(33)87)55-29(106-68)11-103-62(97)15-6-23(73)43(83)48(88)34(15)35-36(66(101)108-55)56(51(91)50(90)49(35)89)104-27-4-13(3-21(71)38(27)78)60(95)111-67-53(93)52(92)54-28(105-67)10-102-61(96)14-5-22(72)39(79)44(84)30(14)31-16(63(98)107-54)7-24(74)40(80)45(31)85/h1-9,28-29,52-55,57-58,67-93H,10-11H2</td><td>OC1C(O)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OCC2OC1OC(=O)C1=CC(OC2=C(O)C(O)=C(O)C3=C2C(=O)OC2C(COC(=O)C4=C3C(O)=C(O)C(O)=C4)OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C3OC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(O)C(O)=C(O)C=C4C(=O)OC23)=C(O)C(O)=C1</td><td>-6.413861922750531</td><td>6.9999077189711025</td><td><a href="/food_sources/256">Red raspberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000746">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="747"><td></td><td><a href="/entries/PHUB000747">Sanguiin H-2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000747</td><td>747</td><td>1104.09275425</td><td>C<sub>48</sub>H<sub>32</sub>O<sub>31</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000747/image.svg" src="" /></td><td>VQIUUNUVZNWSSC-UHFFFAOYSA-N</td><td></td><td>3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoic acid</td><td>1104.753</td><td>1.34e+00 g/l</td><td>3.63</td><td>-2.92</td><td>InChI=1S/C48H32O31/c49-14-2-10(3-15(50)27(14)55)43(68)79-48-41-40(77-45(70)12-6-18(53)29(57)32(60)22(12)23-13(46(71)78-41)7-19(54)30(58)33(23)61)38-21(75-48)8-73-44(69)11-5-17(52)31(59)34(62)24(11)25-26(47(72)76-38)39(37(65)36(64)35(25)63)74-20-4-9(42(66)67)1-16(51)28(20)56/h1-7,21,38,40-41,48-65H,8H2,(H,66,67)</td><td>OC(=O)C1=CC(O)=C(O)C(OC2=C3C(=C(O)C(O)=C2O)C2=C(C=C(O)C(O)=C2O)C(=O)OCC2OC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C(=O)OC4C2OC3=O)=C1</td><td>-6.175669033838551</td><td>3.9208762645692095</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000747">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="748"><td></td><td><a href="/entries/PHUB000748">Sanguiin H-6</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000748</td><td>748</td><td>1870.158111979</td><td>C<sub>82</sub>H<sub>54</sub>O<sub>52</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000748/image.svg" src="" /></td><td>FFZOOOCGCNFHAQ-UHFFFAOYSA-N</td><td></td><td>7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-20-yl 3-{[7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-36-yl]oxy}-4,5-dihydroxybenzoate</td><td>1871.282</td><td>3.21e+00 g/l</td><td>4.03</td><td>-2.77</td><td>InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2</td><td>OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(C=C(O)C(O)=C6O)C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12</td><td>-6.413861922756077</td><td>6.999165653619181</td><td><a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/256">Red raspberry</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000748">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="749"><td></td><td><a href="/entries/PHUB000749">Vescalagin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000749</td><td>749</td><td>934.071230957</td><td>C<sub>41</sub>H<sub>26</sub>O<sub>26</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000749/image.svg" src="" /></td><td>UDYKDZHZAKSYCO-YREZVWEMSA-N</td><td></td><td>(1S,2S,20S,42R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1^{38,42}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,45}.0^{34,39}]hexatetraconta-5,7,9,11,13,15,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone</td><td>934.633</td><td>5.79e+00 g/l</td><td>2.74</td><td>-2.21</td><td>InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11-,31?,34-,35+,36+/m0/s1</td><td>OC1[C@H]2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)O[C@H]1COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)O[C@@H]1[C@H]2OC3=O</td><td>-6.177204321276063</td><td>6.838155491727213</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000749">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="750"><td></td><td><a href="/entries/PHUB000750">Vescalin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000750</td><td>750</td><td>632.064963804</td><td>C<sub>27</sub>H<sub>20</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000750/image.svg" src="" /></td><td>PPUHUWSVCUJGTD-WGPLYWIGSA-N</td><td></td><td>(1R,2R,24S,25S)-7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.1^{2,6}.0^{5,10}.0^{11,28}.0^{16,21}]nonacosa-5(10),6,8,11(28),12,14,16,18,20-nonaene-4,22,27-trione</td><td>632.439</td><td>1.38e+01 g/l</td><td>1.14</td><td>-1.66</td><td>InChI=1S/C27H20O18/c28-2-5-14(31)23-24-20(37)12-11(27(42)45-24)9(18(35)22(39)19(12)36)8-10(26(41)44-23)7(16(33)21(38)17(8)34)6-3(25(40)43-5)1-4(29)13(30)15(6)32/h1,5,14,20,23-24,28-39H,2H2/t5-,14-,20?,23+,24+/m0/s1</td><td>OC[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C3=C2C(=O)O[C@@H]([C@@H]2OC(=O)C4=C3C(O)=C(O)C(O)=C4C2O)[C@H]1O</td><td>-5.356890359953937</td><td>6.820756825957909</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000750">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="751"><td></td><td><a href="/entries/PHUB000751">E-Ajoene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000751</td><td>751</td><td>234.020678593</td><td>C<sub>9</sub>H<sub>14</sub>OS<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000751/image.svg" src="" /></td><td>IXELFRRANAOWSF-FNORWQNLNA-N</td><td>92284-99-6</td><td>3-{[(1E)-3-(prop-2-ene-1-sulfinyl)prop-1-en-1-yl]disulfanyl}prop-1-ene</td><td>234.39</td><td>1.40e+00 g/l</td><td>2.58</td><td>-2.22</td><td>
8InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+</td><td> C=CCSS\C=C\CS(=O)CC=C</td><td>-8.104671555947204</td><td>16.08971127302001</td><td><a href="/food_sources/162">Garlic</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000751">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="752"><td></td><td><a href="/entries/PHUB000752">Z-Ajoene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000752</td><td>752</td><td>234.020678593</td><td>C<sub>9</sub>H<sub>14</sub>OS<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000752/image.svg" src="" /></td><td>IXELFRRANAOWSF-ALCCZGGFSA-N</td><td>92285-00-2</td><td>3-{[(1Z)-3-(prop-2-ene-1-sulfinyl)prop-1-en-1-yl]disulfanyl}prop-1-ene</td><td>234.39</td><td>1.40e+00 g/l</td><td>2.58</td><td>-2.22</td><td>InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-</td><td>C=CCSS\C=C/CS(=O)CC=C</td><td>-8.104671555947204</td><td>16.08971127302001</td><td><a href="/food_sources/162">Garlic</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000752">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="753"><td></td><td><a href="/entries/PHUB000753">Allicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000753</td><td>753</td><td>162.01730729</td><td>C<sub>6</sub>H<sub>10</sub>OS<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Thiosulfinates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Thiosulfinate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Propene-1-sulfinothioic acid S-2-propenyl ester; Diallyl thiosulfinate; S-Oxodiallyl disulfide; thio-2-propene-1-sulfinic acid S-allyl ester</td><td class="structure"><img data-src="/structures/PHUB000753/image.svg" src="" /></td><td>JDLKFOPOAOFWQN-UHFFFAOYSA-N</td><td>539-86-6</td><td>3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene</td><td>162.27</td><td>6.13e+00 g/l</td><td>1.16</td><td>-1.42</td><td>InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2</td><td>C=CCSS(=O)CC=C</td><td>-5.684360672307593</td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000753">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="754"><td></td><td><a href="/entries/PHUB000754">Alliin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000754</td><td>754</td><td>177.045964392</td><td>C<sub>6</sub>H<sub>11</sub>NO<sub>3</sub>S</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(S)-3-(Allylsulphinyl)-L-alanine; S-allyl-L-cysteine sulfoxide; S-allylcysteine sulfoxide</td><td class="structure"><img data-src="/structures/PHUB000754/image.svg" src="" /></td><td>XUHLIQGRKRUKPH-SVRVQNHINA-N</td><td>556-27-4</td><td>(2R)-2-amino-3-(prop-2-ene-1-sulfinyl)propanoic acid</td><td>177.22</td><td>3.85e+01 g/l</td><td>-2.14</td><td>-0.66</td><td>InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1</td><td> NC(CS(=O)CC=C)C(O)=O</td><td>8.447951464574974</td><td>1.837251426076854</td><td><a href="/food_sources/162">Garlic</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000754">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="755"><td></td><td><a href="/entries/PHUB000755">Diallyl disulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000755</td><td>755</td><td>146.02239267</td><td>C<sub>6</sub>H<sub>10</sub>S<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-propenyl disulphide; 3-(allyldisulfanyl)-1-propene; 3,3'-disulfanediylbis(prop-1-ene); 3,3'-dithiobis(prop-1-ene); 4,5-dithia-1,7-octadiene; Allyl disulfide; DADS; Diallyl disulphide</td><td class="structure"><img data-src="/structures/PHUB000755/image.svg" src="" /></td><td>PFRGXCVKLLPLIP-UHFFFAOYSA-N</td><td>2179-57-9</td><td>3-(prop-2-en-1-yldisulfanyl)prop-1-ene</td><td>146.27</td><td>1.05e-01 g/l</td><td>2.74</td><td>-3.14</td><td>InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2</td><td>C=CCSSCC=C</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000755">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="756"><td></td><td><a href="/entries/PHUB000756">Diallyl sulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000756</td><td>756</td><td>114.050321496</td><td>C<sub>6</sub>H<sub>10</sub>S</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Allyl sulfide; DAS; Diallyl monosulphide; Thioallyl ether</td><td class="structure"><img data-src="/structures/PHUB000756/image.svg" src="" /></td><td>UBJVUCKUDDKUJF-UHFFFAOYSA-N</td><td></td><td>3-(prop-2-en-1-ylsulfanyl)prop-1-ene</td><td>114.21</td><td>2.64e-01 g/l</td><td>2.12</td><td>-2.64</td><td>InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2</td><td>C=CCSCC=C</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000756">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="757"><td></td><td><a href="/entries/PHUB000757">Diallyl trisulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000757</td><td>757</td><td>177.994463844</td><td>C<sub>6</sub>H<sub>10</sub>S<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4,5,6-Trithia-1,8-nonadiene; Allitridin; allyl trisulfide; DATS; di-2-propenyl trisulfide; Diallyl trisulphide; diallyltrisulfane</td><td class="structure"><img data-src="/structures/PHUB000757/image.svg" src="" /></td><td>UBAXRAHSPKWNCX-UHFFFAOYSA-N</td><td>2050-87-5</td><td>bis(prop-2-en-1-yl)trisulfane</td><td>178.33</td><td>7.81e-02 g/l</td><td>2.74</td><td>-3.36</td><td>InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2</td><td>C=CCSSSCC=C</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000757">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="758"><td></td><td><a href="/entries/PHUB000758">Diallyl tetrasulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000758</td><td>758</td><td>209.966535018</td><td>C<sub>6</sub>H<sub>10</sub>S<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>DATTS; Diallyl tetrasulphide</td><td class="structure"><img data-src="/structures/PHUB000758/image.svg" src="" /></td><td>RMKCQUWJDRTEHE-UHFFFAOYSA-N</td><td></td><td>bis(prop-2-en-1-yl)tetrasulfane</td><td>210.39</td><td>6.61e-02 g/l</td><td>2.60</td><td>-3.50</td><td>InChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2</td><td>C=CCSSSSCC=C</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000758">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="759"><td></td><td><a href="/entries/PHUB000759">Dimethyl trisulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000759</td><td>759</td><td>125.963163715</td><td>C<sub>2</sub>H<sub>6</sub>S<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,3,4-Trithiapentane; Methyl trisulfide</td><td class="structure"><img data-src="/structures/PHUB000759/image.svg" src="" /></td><td>YWHLKYXPLRWGSE-UHFFFAOYSA-N</td><td></td><td>dimethyltrisulfane</td><td>126.25</td><td>2.20e+00 g/l</td><td>1.26</td><td>-1.76</td><td>InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3</td><td>CSSSC</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000759">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="760"><td></td><td><a href="/entries/PHUB000760">Dipropyl disulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000760</td><td>760</td><td>150.053692799</td><td>C<sub>6</sub>H<sub>14</sub>S<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Propyl disulfide</td><td class="structure"><img data-src="/structures/PHUB000760/image.svg" src="" /></td><td>ALVPFGSHPUPROW-UHFFFAOYSA-N</td><td></td><td>1-(propyldisulfanyl)propane</td><td>150.3</td><td>1.45e-01 g/l</td><td>3.57</td><td>-3.02</td><td>InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3</td><td>CCCSSCCC</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000760">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="761"><td></td><td><a href="/entries/PHUB000761">Methyl allyl disulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000761</td><td>761</td><td>120.006742606</td><td>C<sub>4</sub>H<sub>8</sub>S<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000761/image.svg" src="" /></td><td>XNZOTQPMYMCTBZ-UHFFFAOYSA-N</td><td></td><td>3-(methyldisulfanyl)prop-1-ene</td><td>120.23</td><td>6.62e-01 g/l</td><td>1.82</td><td>-2.26</td><td>InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3</td><td>CSSCC=C</td><td></td><td></td><td><a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000761">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="762"><td></td><td><a href="/entries/PHUB000762">Propane-1-thiol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000762</td><td>762</td><td>76.034671432</td><td>C<sub>3</sub>H<sub>8</sub>S</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Mercaptopropane; Propyl mercaptan</td><td class="structure"><img data-src="/structures/PHUB000762/image.svg" src="" /></td><td>SUVIGLJNEAMWEG-UHFFFAOYSA-N</td><td></td><td>propane-1-thiol</td><td>76.16</td><td>4.99e+00 g/l</td><td>1.72</td><td>-1.18</td><td>InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3</td><td>CCCS</td><td></td><td>10.203268386999644</td><td><a href="/food_sources/40">Common bean</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/86">Leek</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/122">Potato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000762">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="763"><td></td><td><a href="/entries/PHUB000763">Propane-2-thiol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000763</td><td>763</td><td>76.034671432</td><td>C<sub>3</sub>H<sub>8</sub>S</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Mercaptopropane; Isopropyl mercaptan</td><td class="structure"><img data-src="/structures/PHUB000763/image.svg" src="" /></td><td>KJRCEJOSASVSRA-UHFFFAOYSA-N</td><td></td><td>propane-2-thiol</td><td>76.16</td><td>4.54e+00 g/l</td><td>1.69</td><td>-1.22</td><td>InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3</td><td>CC(C)S</td><td></td><td>10.122805485332867</td><td><a href="/food_sources/122">Potato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000763">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="764"><td></td><td><a href="/entries/PHUB000764">Propanethial S-oxide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000764</td><td>764</td><td>90.013935987</td><td>C<sub>3</sub>H<sub>6</sub>OS</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Z)-propanethial S-oxide; (Z)-propylidenesulfoniumolate; 1-Sulfinylpropane; Lachrymatory factor; Thiopropanal S-oxide</td><td class="structure"><img data-src="/structures/PHUB000764/image.svg" src="" /></td><td>BAZSXBOAXJLRNH-UHFFFAOYSA-N</td><td>70565-74-1, 32157-29-2</td><td>1-sulfinylidenepropane</td><td>90.14</td><td>6.42e+01 g/l</td><td>-0.15</td><td>-0.15</td><td>InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3</td><td>CCC=S=O</td><td></td><td></td><td><a href="/food_sources/70">Onion</a> / <a href="/food_sources/401">red onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000764">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="765"><td></td><td><a href="/entries/PHUB000765">Diethyl trisulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000765</td><td>765</td><td>153.994463844</td><td>C<sub>4</sub>H<sub>10</sub>S<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000765/image.svg" src="" /></td><td>OPMRTBDRQRSNDN-UHFFFAOYSA-N</td><td></td><td>diethyltrisulfane</td><td>154.3</td><td>4.64e-01 g/l</td><td>2.45</td><td>-2.52</td><td>InChI=1S/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3</td><td>CCSSSCC</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000765">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="766"><td></td><td><a href="/entries/PHUB000766">Dipropyl trisulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000766</td><td>766</td><td>182.025763973</td><td>C<sub>6</sub>H<sub>14</sub>S<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000766/image.svg" src="" /></td><td>GAZXPZNJTZIGBO-UHFFFAOYSA-N</td><td></td><td>dipropyltrisulfane</td><td>182.36</td><td>1.55e-01 g/l</td><td>3.37</td><td>-3.07</td><td>InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3</td><td>CCCSSSCCC</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000766">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="767"><td></td><td><a href="/entries/PHUB000767">Dimethyl tetrasulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000767</td><td>767</td><td>157.935234889</td><td>C<sub>2</sub>H<sub>6</sub>S<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000767/image.svg" src="" /></td><td>NPNIZCVKXVRCHF-UHFFFAOYSA-N</td><td></td><td>dimethyltetrasulfane</td><td>158.31</td><td>8.89e-01 g/l</td><td>
81.04</td><td>-2.25</td><td>InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3</td><td>CSSSSC</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000767">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="768"><td></td><td><a href="/entries/PHUB000768">Diethyl tetrasulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000768</td><td>768</td><td>213.997835147</td><td>C<sub>6</sub>H<sub>14</sub>S<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dipropyl tetrasulfide</td><td class="structure"><img data-src="/structures/PHUB000768/image.svg" src="" /></td><td>GJKGKILUTIBVOI-UHFFFAOYSA-N</td><td></td><td>dipropyltetrasulfane</td><td>214.42</td><td>1.06e-01 g/l</td><td>3.35</td><td>-3.31</td><td>InChI=1S/C6H14S4/c1-3-5-7-9-10-8-6-4-2/h3-6H2,1-2H3</td><td>CCCSSSSCCC</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000768">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="769"><td></td><td><a href="/entries/PHUB000769">E-10 devinylajoene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000769</td><td>769</td><td>208.005028528</td><td>C<sub>7</sub>H<sub>12</sub>OS<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000769/image.svg" src="" /></td><td>AHJWMSQZOWKKJQ-SNAWJCMRSA-N</td><td></td><td>(1E)-1-(methyldisulfanyl)-3-(prop-2-ene-1-sulfinyl)prop-1-ene</td><td>208.35</td><td>5.19e+00 g/l</td><td>1.74</td><td>-1.60</td><td>InChI=1S/C7H12OS3/c1-3-6-11(8)7-4-5-10-9-2/h3-5H,1,6-7H2,2H3/b5-4+</td><td>CSS\C=C\CS(=O)CC=C</td><td>-8.104671555882657</td><td>16.098261318441015</td><td><a href="/food_sources/162">Garlic</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000769">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="770"><td></td><td><a href="/entries/PHUB000770">Z-10 devinylajoene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000770</td><td>770</td><td>208.005028528</td><td>C<sub>7</sub>H<sub>12</sub>OS<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000770/image.svg" src="" /></td><td>AHJWMSQZOWKKJQ-PLNGDYQASA-N</td><td></td><td>(1Z)-1-(methyldisulfanyl)-3-(prop-2-ene-1-sulfinyl)prop-1-ene</td><td>208.35</td><td>5.19e+00 g/l</td><td>1.74</td><td>-1.60</td><td>InChI=1S/C7H12OS3/c1-3-6-11(8)7-4-5-10-9-2/h3-5H,1,6-7H2,2H3/b5-4-</td><td>CSS\C=C/CS(=O)CC=C</td><td>-8.104671555882657</td><td>16.098261318441015</td><td><a href="/food_sources/162">Garlic</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000770">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="771"><td></td><td><a href="/entries/PHUB000771">Methyl allyl thiosulfinate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000771</td><td>771</td><td>136.001657226</td><td>C<sub>4</sub>H<sub>8</sub>OS<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Thiosulfinates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000771/image.svg" src="" /></td><td>BBZQGJLFMJHRSD-UHFFFAOYSA-N</td><td></td><td>3-(methanesulfinylsulfanyl)prop-1-ene</td><td>136.23</td><td>2.40e+01 g/l</td><td>0.50</td><td>-0.75</td><td>InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3H,1,4H2,2H3</td><td>CS(=O)SCC=C</td><td>-5.598599105501019</td><td></td><td><a href="/food_sources/162">Garlic</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000771">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="772"><td></td><td><a href="/entries/PHUB000772">Isoalliin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000772</td><td>772</td><td>177.045964392</td><td>C<sub>6</sub>H<sub>11</sub>NO<sub>3</sub>S</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000772/image.svg" src="" /></td><td>OKYHUOHBRKWCQJ-NSCUHMNNSA-N</td><td></td><td>2-amino-3-[(1E)-prop-1-ene-1-sulfinyl]propanoic acid</td><td>177.22</td><td>1.96e+01 g/l</td><td>-1.82</td><td>-0.96</td><td>InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+</td><td>C\C=C\S(=O)CC(N)C(O)=O</td><td>8.437867218515805</td><td>1.837072825666763</td><td><a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000772">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="773"><td></td><td><a href="/entries/PHUB000773">Agmatine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000773</td><td>773</td><td>130.121846467</td><td>C<sub>5</sub>H<sub>14</sub>N<sub>4</sub></td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(4-Aminobutyl)guanidine; 1-Amino-4-guanidobutane</td><td class="structure"><img data-src="/structures/PHUB000773/image.svg" src="" /></td><td>QYPPJABKJHAVHS-UHFFFAOYSA-N</td><td></td><td>N-(4-aminobutyl)guanidine</td><td>130.195</td><td>3.61e+00 g/l</td><td>-1.01</td><td>-1.56</td><td>InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)</td><td>NCCCCNC(N)=N</td><td>12.605114263747222</td><td></td><td><a href="/food_sources/13">Barley</a> / <a href="/food_sources/88">Lentils</a> / <a href="/food_sources/327">Radish, Japanese</a> / <a href="/food_sources/137">Sesame</a> / <a href="/food_sources/139">Soy bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000773">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="774"><td></td><td><a href="/entries/PHUB000774">Cadaverine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000774</td><td>774</td><td>102.115698459</td><td>C<sub>5</sub>H<sub>14</sub>N<sub>2</sub></td><td>N-containing compounds</td><td>Amines</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Animal coniine; Pentamethylenediamine; Pentane-1,5-diamine</td><td class="structure"><img data-src="/structures/PHUB000774/image.svg" src="" /></td><td>VHRGRCVQAFMJIZ-UHFFFAOYSA-N</td><td></td><td>pentane-1,5-diamine</td><td>102.181</td><td>8.91e+01 g/l</td><td>-0.27</td><td>-0.06</td><td>InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2</td><td>NCCCCCN</td><td>10.506503804690274</td><td></td><td><a href="/food_sources/46">Common pea</a> / <a href="/food_sources/88">Lentils</a> / <a href="/food_sources/243">Mung bean</a> / <a href="/food_sources/327">Radish, Japanese</a> / <a href="/food_sources/139">Soy bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000774">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="775"><td></td><td><a href="/entries/PHUB000775">Dopamine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000775</td><td>775</td><td>153.078978598</td><td>C<sub>8</sub>H<sub>11</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Hydroxytyramine; 3,4-Dihydroxyphenethylamine; 4-(2-Aminoethyl)benzene-1,2-diol; 4-(2-Aminoethyl)pyrocatechol</td><td class="structure"><img data-src="/structures/PHUB000775/image.svg" src="" /></td><td>VYFYYTLLBUKUHU-UHFFFAOYSA-N</td><td></td><td>4-(2-aminoethyl)benzene-1,2-diol</td><td>153.181</td><td>7.43e+00 g/l</td><td>-0.40</td><td>-1.31</td><td>InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2</td><td>NCCC1=CC(O)=C(O)C=C1</td><td>9.271456202535882</td><td>10.007776384659529</td><td><a href="/food_sources/12">Banana</a></td><td><a href="/entries/PHUB001951">Dopamine 3-O-sulfate</a> / <a href="/entries/PHUB001952">Dopamine 4-O-sulfate</a> / <a href="/entries/PHUB001958">3-Methoxytyramine sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000775">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="776"><td></td><td><a href="/entries/PHUB000776">Gramine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000776</td><td>776</td><td>174.115698459</td><td>C<sub>11</sub>H<sub>14</sub>N<sub>2</sub></td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(Dimethylaminomethyl)indole; Donaxine; Doramine</td><td class="structure"><img data-src="/structures/PHUB000776/image.svg" src="" /></td><td>OCDGBSUVYYVKQZ-UHFFFAOYSA-N</td><td></td><td>[(1H-indol-3-yl)methyl]dimethylamine</td><td>174.247</td><td>3.43e+00 g/l</td><td>2.01</td><td>-1.71</td><td>InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3</td><td>CN(C)CC1=CNC2=CC=CC=C12</td><td>8.985716789273653</td><td>15.973408350193873</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000776">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="777"><td></td><td><a href="/entries/PHUB000777">Histamine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000777</td><td>777</td><td>111.079647302</td><td>C<sub>5</sub>H<sub>9</sub>N<sub>3</sub></td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(2-Aminoethyl)imidazole; 4-Imidazoleethylamine; Beta-Aminoethylglyoxaline; Ergamine</td><td class="structure"><img data-src="/structures/PHUB000777/image.svg" src="" /></td><td>NTYJJOPFIAHURM-UHFFFAOYSA-N</td><td></td><td>2-(1H-imidazol-4-yl)ethan-1-amine</td><td>111.148</td><td>1.69e+02 g/l</td><td>-0.69</td><td>0.18</td><td>InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)</td><td>NCCC1=CNC=N1</td><td>9.576453109401491</td><td>14.456615295256656</td><td><a href="/food_sources/12">Banana</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/149">Sweet orange</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000777">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="778"><td></td><td><a href="/entries/PHUB000778">Hordenine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000778</td><td>778</td><td>165.115364107</td><td>C<sub>10</sub>H<sub>15</sub>NO</td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(2-Dimethylamino)ethylphenol; N,N-Dimethyltyramine</td><td class="structure"><img data-src="/structures/PHUB000778/image.svg" src="" /></td><td>KUBCEEMXQZUPDQ-UHFFFAOYSA-N</td><td></td><td>4-[2-(dimethylamino)ethyl]phenol</td><td>165.236</td><td>2.97e+01 g/l</td><td>1.76</td><td>-0.75</td><td>InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3</td><td>CN(C)CCC1=CC=C(O)C=C1</td><td>9.187739518335258</td><td>10.308363804255436</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000778">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="779"><td></td><td><a href="/entries/PHUB000779">Noradrenaline (L-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000779</td><td>779</td><td>169.073893218</td><td>C<sub>8</sub>H<sub>11</sub>NO<sub>3</sub></td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Norepinephrine (L-)</td><td class="structure"><img data-src="/structures/PHUB000779/image.svg" src="" /></td><td>SFLSHLFXELFNJZ-QMMMGPOBSA-N</td><td></td><td>4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol</td><td>169.18</td><td>1.25e+01 g/l</td><td>-1.40</td><td>-1.13</td><td>InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1</td><td>NC[C@H](O)C1=CC(O)=C(O)C=C1</td><td>8.84847263942599</td><td>9.500884650011601</td><td><a href="/food_sources/12">Banana</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000779">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="780"><td></td><td><a href="/entries/PHUB000780">Phenethylamine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000780</td><td>780</td><td>121.089149358</td><td>C<sub>8</sub>H<sub>11</sub>N</td><td>N-containing compounds</td><td>Amines</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Amino-2-phenylethane; Aminoethylbenzene (beta-); Benzeneethanamine; PEA</td><td class="structure"><img data-src="/structures/PHUB000780/image.svg" src="" /></td><td>BHHGXPLMPWCGHP-UHFFFAOYSA-N</td><td></td><td>2-phenylethan-1-amine</td><td>121.183</td><td>2.19e+00 g/l</td><td>1.41</td><td>-1.74</td><td>InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2</td><td>NCCC1=CC=CC=C1</td><td>9.791742642861854</td><td></td><td><a href="/food_sources/12">Banana</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000780">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="781"><td></td><td><a href="/entries/PHUB000781">Putrescine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000781</td><td>781</td><td>88.100048394</td><td>C<sub>4</sub>H<sub>12</sub>N<sub>2</sub></td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Butane-1,4-diamine; Tetramethylenediamine</td><td class="structure"><img data-src="/structures/PHUB000781/image.svg" src="" /></td><td>KIDHWZJUCRJVML-UHFFFAOYSA-N</td><td></td><td>butane-1,4-diamine</td><td>88.154</td><td>2.36e+02 g/l</td><td>-0.98</td><td>0.43</td><td>InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2</td><td>NCCCCN</td><td>10.505115467408618</td><td></td><td><a href="/food_sources/63">Endive</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/88">Lentils</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/243">Mung bean</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/139">Soy bean</a> / <a href="/food_sources/149">Sweet orange</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000781">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="782"><td></td><td><a href="/entries/PHUB000782">Serotonin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000782</td><td>782</td><td>176.094963014</td><td>C<sub>10</sub>H<sub>12</sub>N<sub>2</sub>O</td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-HT; 5-Hydroxytryptamine; Serotonine</td><td class="structure"><img data-src="/structures/PHUB000782/image.svg" src="" /></td><td>QZAYGJVTTNCVMB-UHFFFAOYSA-N</td><td></td><td>3-(2-aminoethyl)-1H-indol-5-ol</td><td>176.219</td><td>2.50e+00 g/l</td><td>0.56</td><td>-1.85</td><td>InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2</td><td>NCCC1=CNC2=C1C=C(O)C=C2</td><td>10.004289627293197</td><td>9.314034178077875</td><td><a href="/food_sources/12">Banana</a> / <a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/195">Chinese cabbage</a> / <a href="/food_sources/61">Eggplant</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/128">Hot chili (Capsicum annuum, C. frutescens)</a> / <a href="/food_sources/85">Kiwi</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB001475">5-Hydroxyindole acetic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000782">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="783"><td></td><td><a href="/entries/PHUB000783">Skatole</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000783</td><td>783</td><td>131.073499294</td><td>C<sub>9</sub>H<sub>9</sub>N</td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Methyl-1H-indole</td><td class="structure"><img data-src="/structures/PHUB000783/image.svg" src="" /></td><td>ZFRKQXVRDFCRJG-UHFFFAOYSA-N</td><td></td><td>3-methyl-1H-indole</td><td>131.178</td><td>3.09e+00 g/l</td><td>2.58</td><td>-1.63</td><td>InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3</td><td>CC1=CNC2=CC=CC=C12</td><td></td><td>17.483126674098358</td><td><a href="/food_sources/41">Common beetroot</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000783">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="784"><td></td><td><a href="/entries/PHUB000784">Spermidine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000784</td><td>784</td><td>145.157897624</td><td>C<sub>7</sub>H<sub>19</sub>N<sub>3</sub></td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000784/image.svg" src="" /></td><td>ATHGHQPFGPMSJY-UHFFFAOYSA-N</td><td></td><td>(4-aminobutyl)(3-aminopropyl)amine</td><td>145.25</td><td>3.27e+01 g/l</td><td>-0.62</td><td>-0.65</td><td>InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2</td><td>NCCCCNCCCN</td><td>10.676624477088431</td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/88">Lentils</a> / <a href="/food_sources/243">Mung bean</a> / <a href="/food_sources/100">Oat</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/327">Radish, Japanese</a> / <a href="/food_sources/139">Soy bean</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000784">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="785"><td></td><td><a href="/entries/PHUB000785">Spermine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000785</td><td>785</td><td>202.215746853</td><td>C<sub>10</sub>H<sub>26</sub>N<sub>4</sub></td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Gerontine; Musculamine; Neuridine</td><td class="structure"><img data-src="/structures/PHUB000785/image.svg" src="" /></td><td>PFNFFQXMRSDOHW-UHFFFAOYSA-N</td><td></td><td>(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amine</td><td>202.346</td><td>2.19e+00 g/l</td><td>-0.66</td><td>-1.97</td><td>InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2</td><td>NCCCNCCCCNCCCN</td><td>10.799251803165692</td><td></td><td><a href="/food_sources/13">Barley</a> / <a href="/food_sources/81">Jerusalem artichoke</a> / <a href="/food_sources/88">Lentils</a> / <a href="/food_sources/100">Oat</a> / <a href="/food_sources/327">Radish, Japanese</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000785">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="786"><td></td><td><a href="/entries/PHUB000786">Trimethylamine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000786</td><td>786</td><td>59.073499294</td><td>C<sub>3</sub>H<sub>9</sub>N</td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N,N-Dimethylmethanamine</td><td class="structure"><img data-src="/structures/PHUB000786/image.svg" src="" /></td><td>GETQZCLCWQTVFV-UHFFFAOYSA-N</td><td></td><td>trimethylamine</td><td>59.112</td><td>6.54e+02 g/l</td><td>-0.14</td><td>1.04</td><td>InChI=1S/C3H9N/c1-4(2)3/h1-3H3</td><td>CN(C)C</td><td>9.57376321286538</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000786">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="787"><td></td><td><a href="/entries/PHUB000787">Tryptamine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-(1H-indol-3-yl)ethanamine</td><td>PHUB000787</td><td>787</td><td>160.100048394</td><td>C<sub>10</sub>H<sub>12</sub>N<sub>2</sub></td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(2-Aminoethyl)indole</td><td class="structure"><img data-src="/structures/PHUB000787/image.svg" src="" /></td><td>APJYDQYYACXCRM-UHFFFAOYSA-N</td><td></td><td>2-(1H-indol-3-yl)ethan-1-amine</td><td>160.22</td><td>1.34e+00 g/l</td><td>1.21</td><td>-2.08</td><td>InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2</td><td>NCCC1=CNC2=C1C=CC=C2</td><td>9.733973681017083</td><td>17.170311785836876</td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/195">Chinese cabbage</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/56">Cucumber</a> / <a href="/food_sources/128">Hot chili (Capsicum annuum, C. frutescens)</a> / <a href="/food_sources/85">Kiwi</a> / <a href="/food_sources/228">Kohlrabi</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/122">Potato</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000787">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="788"><td></td><td><a href="/entries/PHUB000788">Tyramine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000788</td><td>788</td><td>137.084063978</td><td>C<sub>8</sub>H<sub>11</sub>NO</td><td>N-containing compounds</td><td>Amines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Hydroxyphenethylamine; Tyrosamine</td><td class="structure"><img data-src="/structures/PHUB000788/image.svg" src="" /></td><td>DZGWFCGJZKJUFP-UHFFFAOYSA-N</td><td></td><td>4-(2-aminoethyl)phenol</td><td>137.182</td><td>5.72e+00 g/l</td><td>-0.14</td><td>-1.38</td><td>InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2</td><td>NCCC1=CC=C(O)C=C1</td><td>9.663317955732815</td><td>10.410817992116419</td><td><a href="/food_sources/13">Barley</a> / <a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/195">Chinese cabbage</a> / <a href="/food_sources/128">Hot chili (Capsicum annuum, C. frutescens)</a> / <a href="/food_sources/105">Paprika</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000788">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="789"><td></td><td><a href="/entries/PHUB000789">Caffeine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>1,3,7-trimethylxanthine</td><td>PHUB000789</td><td>789</td><td>194.080375578</td><td>C<sub>8</sub>H<sub>10</sub>N<sub>4</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Purines and pyrimidines</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>1,3,7-trimethylxanthine; 3-Methyltheobromine; Coffeine; Guaranine; Thein; Theine</td><td class="structure"><img data-src="/structures/PHUB000789/image.svg" src="" /></td><td>RYYVLZVUVIJVGH-UHFFFAOYSA-N</td><td>58-08-2</td><td>1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione</td><td>194.194</td><td>1.10e+01 g/l</td><td>-0.24</td><td>-1.25</td><td>InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3</td><td>CN1C=NC2=C1C(=O)N(C)C(=O)N2C</td><td>-1.1587287861082745</td><td></td><td><a href="/food_sources/173">Arabica coffee</a> / <a href="/food_sources/297">Black tea</a> / <a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/409">Green/roasted coffee</a> / <a href="/food_sources/336">Guarana</a> / <a href="/food_sources/337">Mate</a> / <a href="/food_sources/407">Mocha coffee</a> / <a href="/food_sources/346">Roasted coffee</a> / <a href="/food_sources/408">Soda</a> / <a href="/food_sources/151">Tea</a></td><td><a href="/entries/PHUB002336">1,3,7-Trimethyluric acid</a> / <a href="/entries/PHUB002340">1-methylxanthine</a> / <a href="/entries/PHUB000790">Theobromine</a> / <a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB000791">Theophylline</a> / <a href="/entries/PHUB002406">Paraxanthine</a> / <a href="/entries/PHUB002536">7-methylxanthine</a> / <a href="/entries/PHUB002535">3-methylxanthine</a> / <a href="/entries/PHUB002107">1,3-dimethyluric acid</a> / <a href="/entries/PHUB002533">1-methyluric acid</a> / <a href="/entries/PHUB002534">1,7-dimethyluricacid</a> / <a href="/entries/PHUB002404">5-acetyl-amino-6-amino-3-methyluracil</a> / <a href="/entries/PHUB002541">4-Amino-(5-formylmethyl- amino) 1,3-dimethyluracil</a> / <a href="/entries/PHUB002538">7-methyluric acid</a> / <a href="/entries/PHUB002540">6-Amino-5(N-methylformylamino)-1-methyluracil</a> / <a href="/entries/PHUB002405">5-acetylamino-6-formylamino-3-methyluracil</a> / <a href="/entries/PHUB002539">3-Methyluric acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000789">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="790"><td></td><td><a href="/entries/PHUB000790">Theobromine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3,7-Dimethylxanthine</td><td>PHUB000790</td><td>790</td><td>180.064725514</td><td>C<sub>7</sub>H<sub>8</sub>N<sub>4</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Purines and pyrimidines</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>3,7-Dimethylxanthine; Thesal</td><td class="structure"><img data-src="/structures/PHUB000790/image.svg" src="" /></td><td>YAPQBXQYLJRXSA-UHFFFAOYSA-N</td><td>83-67-0</td><td>3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione</td><td>180.167</td><td>9.74e+00 g/l</td><td>-0.46</td><td>-1.27</td><td>InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)</td><td>CN1C=NC2=C1C(=O)NC(=O)N2C</td><td>-1.1414249896669322</td><td>9.243345307813192</td><td><a href="/food_sources/173">Arabica coffee</a> / <a href="/food_sources/35">Chocolate</a> / <a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a> / <a href="/food_sources/409">Green/roasted coffee</a> / <a href="/food_sources/336">Guarana</a> / <a href="/food_sources/337">Mate</a> / <a href="/food_sources/346">Roasted coffee</a> / <a href="/food_sources/151">Tea</a></td><td><a href="/entries/PHUB002403">3,7 dimethyluric acid</a> / <a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB002406">Paraxanthine</a> / <a href="/entries/PHUB000790">Theobromine</a> / <a href="/entries/PHUB002538">7-methyluric acid</a> / <a href="/entries/PHUB002540">6-Amino-5(N-methylformylamino)-1-methyluracil</a> / <a href="/entries/PHUB002340">1-methylxanthine</a> / <a href="/entries/PHUB002535">3-methylxanthine</a> / <a href="/entries/PHUB002536">7-methylxanthine</a> / <a href="/entries/PHUB002534">1,7-dimethyluricacid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000790">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="791"><td></td><td><a href="/entries/PHUB000791">Theophylline</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>1,3-dimethylxanthine</td><td>PHUB000791</td><td>791</td><td>180.064725514</td><td>C<sub>7</sub>H<sub>8</sub>N<sub>4</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Purines and pyrimidines</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>1,3-Dimethylxanthine; Theocin</td><td class="structure"><img data-src="/structures/PHUB000791/image.svg" src="" /></td><td>ZFXYFBGIUFBOJW-UHFFFAOYSA-N</td><td>58-55-9</td><td>1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione</td><td>180.167</td><td>2.29e+01 g/l</td><td>-0.26</td><td>-0.90</td><td>InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)</td><td>CN1C2=C(NC=N2)C(=O)N(C)C1=O</td><td>-0.77711753278622</td><td>7.815127426971927</td><td><a href="/food_sources/199">Cocoa bean</a> / <a href="/food_sources/336">Guarana</a> / <a href="/food_sources/337">Mate</a> / <a href="/food_sources/346">Roasted coffee</a> / <a href="/food_sources/151">Tea</a></td><td><a href="/entries/PHUB000791">Theophylline</a> / <a href="/entries/PHUB002406">Paraxanthine</a> / <a href="/entries/PHUB002107">1,3-dimethyluric acid</a> / <a href="/entries/PHUB002340">1-methylxanthine</a> / <a href="/entries/PHUB002533">1-methyluric acid</a> / <a href="/entries/PHUB002535">3-methylxanthine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000791">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="792"><td></td><td><a href="/entries/PHUB000792">Vicine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000792</td><td>792</td><td>304.101898871</td><td>C<sub>10</sub>H<sub>16</sub>N<sub>4</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Purines and pyrimidines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Divicine-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB000792/image.svg" src="" /></td><td>KGNGTSCIQCLKEH-SYCVNHKBSA-N</td><td>152-93-2</td><td>2,6-diamino-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydropyrimidin-4-one</td><td>304.259</td><td>3.80e+01 g/l</td><td>-2.31</td><td>-0.90</td><td>InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1</td><td>NC1=NC(N)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)N1</td><td>-1.0128961382348867</td><td>7.568430681720982</td><td><a href="/food_sources/335">Bitter Gourd</a> / <a href="/food_sources/18">Broad bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000792">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="793"><td></td><td><a href="/entries/PHUB000793">Convicine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000793</td><td>793</td><td>305.085914455</td><td>C<sub>10</sub>H<sub>15</sub>N<sub>3</sub>O<sub>8</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Purines and pyrimidines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>covicine</td><td class="structure"><img data-src="/structures/PHUB000793/image.svg" src="" /></td><td>JJWYIMQKLTVAGZ-SYCVNHKBSA-N</td><td>19286-37-4</td><td>6-amino-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydropyrimidine-2,4-dione</td><td>
8305.243</td><td>5.10e+01 g/l</td><td>-2.00</td><td>-0.78</td><td>InChI=1S/C10H15N3O8/c11-7-6(8(18)13-10(19)12-7)21-9-5(17)4(16)3(15)2(1-14)20-9/h2-5,9,14-17H,1H2,(H4,11,12,13,18,19)/t2-,3-,4+,5-,9+/m1/s1</td><td>NC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)NC(=O)N1</td><td>-2.981092376085087</td><td>8.213258845764797</td><td><a href="/food_sources/18">Broad bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000793">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="794"><td></td><td><a href="/entries/PHUB000794">Zeatin (trans-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000794</td><td>794</td><td>219.112010059</td><td>C<sub>10</sub>H<sub>13</sub>N<sub>5</sub>O</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Purines and pyrimidines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000794/image.svg" src="" /></td><td>UZKQTCBAMSWPJD-FARCUNLSSA-N</td><td></td><td>(2E)-2-methyl-4-[(1H-purin-6-yl)amino]but-2-en-1-ol</td><td>219.248</td><td>4.08e-01 g/l</td><td>-0.32</td><td>-2.73</td><td>InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+</td><td>C\C(CO)=C/CNC1=C2N=CN=C2N=CN1</td><td>0.8690089813283778</td><td>6.12134737049442</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000794">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="795"><td></td><td><a href="/entries/PHUB000795">Dihydrozeatin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000795</td><td>795</td><td>221.127660123</td><td>C<sub>10</sub>H<sub>15</sub>N<sub>5</sub>O</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Purines and pyrimidines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000795/image.svg" src="" /></td><td>XXFACTAYGKKOQB-SSDOTTSWSA-N</td><td></td><td>(2R)-2-methyl-4-[(9H-purin-6-yl)amino]butan-1-ol</td><td>221.264</td><td>1.91e-01 g/l</td><td>0.87</td><td>-3.06</td><td>InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1</td><td>C[C@@H](CO)CCNC1=NC=NC2=C1N=CN2</td><td>4.074040384480687</td><td>9.869745628243596</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000795">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="796"><td></td><td><a href="/entries/PHUB000796">4-Hydroxyglucobrassicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-Hydroxy-3-indolylmethyl-glucosinolate</td><td>PHUB000796</td><td>796</td><td>464.0559372</td><td>C<sub>16</sub>H<sub>20</sub>N<sub>2</sub>O<sub>10</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate; 4-Hydroxy-3-indolylmethyl glucosinolate; 4-Hydroxyindol-3-ylmethyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000796/image.svg" src="" /></td><td>CSMYCLLHRFFFLG-DVRVZQTCSA-M</td><td></td><td></td><td>464.46</td><td></td><td></td><td></td><td>InChI=1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/p-1/b18-11+/t10?,13-,14
8+,15?,16+/m1/s1</td><td>OCC1O[C@@H](S\C(CC2=CNC3=C2C(O)=CC=C3)=N\OS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/97">Mustard</a> / <a href="/food_sources/280">Turnip</a> / <a href="/food_sources/286">Watercress</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000796">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="797"><td></td><td><a href="/entries/PHUB000797">4-Methoxyglucobrassicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-Methoxy-3-indolylmethyl-glucosinolate</td><td>PHUB000797</td><td>797</td><td>478.071587264</td><td>C<sub>17</sub>H<sub>22</sub>N<sub>2</sub>O<sub>10</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate; 4-Methoxy-3-indolylmethyl glucosinolate; 4-Methoxyindol-3-ylmethyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000797/image.svg" src="" /></td><td>IIAGSABLXRZUSE-CIHSNIMRSA-M</td><td></td><td></td><td>478.49</td><td></td><td></td><td></td><td>InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/p-1/b19-12+/t11?,14-,15+,16?,17+/m1/s1</td><td>COC1=CC=CC2=C1C(C\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O)=CN2</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/280">Turnip</a> / <a href="/food_sources/286">Watercress</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000797">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="798"><td></td><td><a href="/entries/PHUB000798">Glucoalyssin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-Methylsulfinylpentyl-glucosinolate</td><td>PHUB000798</td><td>798</td><td>451.064059531</td><td>C<sub>13</sub>H<sub>25</sub>NO<sub>10</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-S-[(1Z)-6-(Methylsulfinyl)-N-(sulfooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose; 5-(Methylsulfinyl)pentylglucosinolate; 5-Methylsulfinylpentyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000798/image.svg" src="" /></td><td>HUCGRJSHMZWRQQ-GCBKASSNSA-M</td><td></td><td></td><td>451.52</td><td></td><td></td><td></td><td>InChI=1S/C13H25NO10S3/c1-26(19)6-4-2-3-5-9(14-24-27(20,21)22)25-13-12(18)11(17)10(16)8(7-15)23-13/h8,10-13,15-18H,2-7H2,1H3,(H,20,21,22)/p-1/b14-9+/t8?,10-,11+,12?,13+,26?/m1/s1</td><td>CS(=O)CCCCC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/280">Turnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000798">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="799"><td></td><td><a href="/entries/PHUB000799">Glucoberteroin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-Methylthiopentyl-glucosinolate</td><td>PHUB000799</td><td>799</td><td>435.069144911</td><td>C<sub>13</sub>H<sub>25</sub>NO<sub>9</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-(Methylthio)pentylglucosinolate; 5-Methylthiopentyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000799/image.svg" src="" /></td><td>MEFPHTVXBPLRLX-VKSHFHBOSA-M</td><td></td><td>{[(E)-[6-(methylsulfanyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]amino]oxy}sulfonic acid</td><td>435.52</td><td></td><td></td><td></td><td>InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/p-1/b14-9+/t8?,10-,11+,12?,13+/m1/s1</td><td>CSCCCCC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td>-0.1601477410294141</td><td>-3.475058076500252</td><td><a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/254">Radish</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000799">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="800"><td></td><td><a href="/entries/PHUB000800">Glucobrassicanapin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-Pentenyl-glucosinolate</td><td>PHUB000800</td><td>800</td><td>387.065773608</td><td>C<sub>12</sub>H<sub>21</sub>NO<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Pentenyl glucosinolate; Pent-4-enyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000800/image.svg" src="" /></td><td>XMJFVIGTHMOGNZ-PDUPTSSGSA-M</td><td></td><td>{[(E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hex-5-en-1-ylidene)amino]oxy}sulfonic acid</td><td>387.42</td><td></td><td></td><td></td><td>InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/p-1/b13-8+/t7?,9-,10+,11?,12+/m1/s1</td><td>OCC1O[C@@H](S\C(CCCC=C)=N\OS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O</td><td>-0.259138380368885</td><td>-3.4887843090415966</td><td><a href="/food_sources/185">Capers</a> / <a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/97">Mustard</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/280">Turnip</a> / <a href="/food_sources/285">Wasabi</a></td><td><a href="/entries/PHUB003041">1-Cyano-4,5-epithiopentane</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000800">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="801"><td></td><td><a href="/entries/PHUB000801">Glucobrassicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-Indolylmethyl-glucosinolate</td><td>PHUB000801</td><td>801</td><td>448.06102258</td><td>C<sub>16</sub>H<sub>20</sub>N<sub>2</sub>O<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate; 3-Indolylmethyl glucosinolate; Indol-3-ylmethyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000801/image.svg" src="" /></td><td>DNDNWOWHUWNBCK-OTPKYRHWSA-M</td><td></td><td></td><td>448.46</td><td></td><td></td><td></td><td>InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/p-1/b18-12+/t11?,13-,14
8+,15?,16+/m1/s1</td><td>OCC1O[C@@H](S\C(CC2=CNC3=C2C=CC=C3)=N\OS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/97">Mustard</a> / <a href="/food_sources/254">Radish</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/280">Turnip</a></td><td><a href="/entries/PHUB002320">Indole-3-carbinol</a> / <a href="/entries/PHUB001902">3,3â²-Diindolylmethane</a> / <a href="/entries/PHUB003042">Indole-3-acetonitrile</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000801">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="802"><td></td><td><a href="/entries/PHUB000802">Glucocapparin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000802</td><td>802</td><td>333.018823415</td><td>C<sub>8</sub>H<sub>15</sub>NO<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Methylglucosinolate</td><td class="structure"><img data-src="/structures/PHUB000802/image.svg" src="" /></td><td>UBTOEGCOMHAXGV-KADDAKOPSA-M</td><td></td><td></td><td>333.33</td><td></td><td></td><td></td><td>InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/p-1/b9-3+/t4?,5-,6+,7?,8+/m1/s1</td><td>C\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td><a href="/food_sources/185">Capers</a> / <a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/285">Wasabi</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000802">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="803"><td></td><td><a href="/entries/PHUB000803">Glucocheirolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-Methylsulfonylpropyl-glucosinolate</td><td>PHUB000803</td><td>803</td><td>439.027674022</td><td>C<sub>11</sub>H<sub>21</sub>NO<sub>11</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(Methylsulfonyl)propylglucosinolate; 3-Methylsulfonylpropyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000803/image.svg" src="" /></td><td>OFKKQTQFWWIRBD-JRIQBWFLSA-M</td><td></td><td></td><td>439.47</td><td></td><td></td><td></td><td>InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/p-1/b12-7+/t6?,8-,9+,10?,11+/m1/s1</td><td>CS(=O)(=O)CCC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000803">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="804"><td></td><td><a href="/entries/PHUB000804">Glucocochlearin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000804</td><td>804</td><td>375.065773608</td><td>C<sub>11</sub>H<sub>21</sub>NO<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(1S)-1-Methylpropylglucosinolate; Glucojiabutin</td><td class="structure"><img data-src="/structures/PHUB000804/image.svg" src="" /></td><td>TUSWQPFNQXCPGB-YKNISDCUSA-M</td><td></td><td></td><td>375.41</td><td></td><td></td><td></td><td>InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/p-1/b12-10+/t5-,6?,7+,8-,9?,11-/m0/s1</td><td>[H][C@](C)(CC)C(\S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000804">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="805"><td></td><td><a href="/entries/PHUB000805">Glucoerucin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-Methylthiobutyl-glucosinolate</td><td>PHUB000805</td><td>805</td><td>421.053494847</td><td>C<sub>12</sub>H<sub>23</sub>NO<sub>9</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfanyl-N-sulfooxypentanimidothioate; 4-(Methylthio)butylglucosinolate; 4-Methylthiobutyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000805/image.svg" src="" /></td><td>GKUMMDFLKGFCKH-PDUPTSSGSA-M</td><td></td><td>{[(E)-[5-(methylsulfanyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene]amino]oxy}sulfonic acid</td><td>421.49</td><td></td><td></td><td></td><td>InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2
8-6H2,1H3,(H,18,19,20)/p-1/b13-8+/t7?,9-,10+,11?,12+/m1/s1</td><td>CSCCCC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td>-0.21811535657922246</td><td>-3.544322143918647</td><td><a href="/food_sources/254">Radish</a> / <a href="/food_sources/132">Rocket salad</a> / <a href="/food_sources/144">Swede (Rutabaga)</a></td><td><a href="/entries/PHUB002868">Erucin-cysteine</a> / <a href="/entries/PHUB002870">Erucin-N-acetyl-cysteine</a> / <a href="/entries/PHUB002867">Erucin-glutathione</a> / <a href="/entries/PHUB002869">Erucin-cysteine-glycine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000805">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="806"><td></td><td><a href="/entries/PHUB000806">Glucoerysolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-Methylsulfonylbutyl-glucosinolate</td><td>PHUB000806</td><td>806</td><td>453.043324087</td><td>C<sub>12</sub>H<sub>23</sub>NO<sub>11</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(Methylsulfonyl)butylglucosinolate; 4-Methylsulfonylbutyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000806/image.svg" src="" /></td><td>WJMGSLJQEIYHOF-PDUPTSSGSA-M</td><td></td><td></td><td>453.49</td><td></td><td></td><td></td><td>InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2
8-6H2,1H3,(H,20,21,22)/p-1/b13-8+/t7?,9-,10+,11?,12+/m1/s1</td><td>CS(=O)(=O)CCCC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000806">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="807"><td></td><td><a href="/entries/PHUB000807">Glucoiberin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-Methylsulfinylpropyl-glucosinolate</td><td>PHUB000807</td><td>807</td><td>423.032759402</td><td>C<sub>11</sub>H<sub>21</sub>NO<sub>10</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-S-[4-(Methylsulfinyl)-N-(sulfooxy)butanimidoyl]-1-thio-beta-D-glucopyranose; 3-(Methylsulfinyl)propylglucosinolate; 3-Methylsulfinylpropyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000807/image.svg" src="" /></td><td>PHYYADMVYQURSX-VKXZSDEGSA-M</td><td>554-88-1</td><td></td><td>423.47</td><td></td><td></td><td></td><td>InChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/p-1/b12-7+/t6?,8-,9+,10?,11+,24?/m1/s1</td><td>CS(=O)CCC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/228">Kohlrabi</a> / <a href="/food_sources/262">Savoy cabbage</a> / <a href="/food_sources/280">Turnip</a></td><td><a href="/entries/PHUB001978">Iberin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000807">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="808"><td></td><td><a href="/entries/PHUB000808">Glucoiberverin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-Methylthiopropyl-glucosinolate</td><td>PHUB000808</td><td>808</td><td>407.037844782</td><td>C<sub>11</sub>H<sub>21</sub>NO<sub>9</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(Methylthio)propylglucosinolate; 3-Methylthiopropyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000808/image.svg" src="" /></td><td>ZCZCVJVUJGULMO-JRIQBWFLSA-M</td><td></td><td>{[(E)-[4-(methylsulfanyl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene]amino]oxy}sulfonic acid</td><td>407.47</td><td></td><td></td><td></td><td>InChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/p-1/b12-7+/t6?,8-,9+,10?,11+/m1/s1</td><td>CSCCC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td>-0.2786908706054432</td><td>-3.5006623024768366</td><td><a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/228">Kohlrabi</a> / <a href="/food_sources/254">Radish</a> / <a href="/food_sources/280">Turnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000808">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="809"><td></td><td><a href="/entries/PHUB000809">Glucolepidiin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Ethyl-glucosinolate</td><td>PHUB000809</td><td>809</td><td>347.034473479</td><td>C<sub>9</sub>H<sub>17</sub>NO<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Ethylglucosinolate</td><td class="structure"><img data-src="/structures/PHUB000809/image.svg" src="" /></td><td>ZPFWVYNZDHOONR-LDMAVRNSSA-M</td><td></td><td></td><td>347.35</td><td></td><td></td><td></td><td>InChI=1S/C9H17NO9S2/c1-2-5(10-19-21(15,16)17)20-9-8(14)7(13)6(12)4(3-11)18-9/h4,6-9,11-14H,2-3H2,1H3,(H,15,16,17)/p-1/b10-5+/t4?,6-,7+,8?,9+/m1/s1</td><td>CC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000809">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="810"><td></td><td><a href="/entries/PHUB000810">Gluconapin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-butenyl-glucosinolate</td><td>PHUB000810</td><td>810</td><td>373.050123544</td><td>C<sub>11</sub>H<sub>19</sub>NO<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxypent-4-enimidothioate; 3-butenyl glucosinolate; But-3-enyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000810/image.svg" src="" /></td><td>PLYQBXHVYUJNQB-JRIQBWFLSA-M</td><td></td><td></td><td>373.39</td><td></td><td></td><td></td><td>InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/p-1/b12-7+/t6?,8-,9+,10?,11+/m1/s1</td><td>OCC1O[C@@H](S\C(CCC=C)=N\OS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/97">Mustard</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/280">Turnip</a> / <a href="/food_sources/285">Wasabi</a></td><td><a href="/entries/PHUB003040">1-Cyano-3,4-epithiobutane</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000810">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="811"><td></td><td><a href="/entries/PHUB000811">Gluconapoleiferin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-hydroxy-4-pentenyl-glucosinolate</td><td>PHUB000811</td><td>811</td><td>403.060688228</td><td>C<sub>12</sub>H<sub>21</sub>NO<sub>10</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-hydroxy-4-pentenyl glucosinolate; 2-Hydroxypent-4-enyl glucosinolate; 2-Hydroxypent-4-enylglucosinolate</td><td class="structure"><img data-src="/structures/PHUB000811/image.svg" src="" /></td><td>ZEGLQSKFSKZGRO-GAQZTCCMSA-M</td><td>19764-03-5</td><td></td><td>403.42</td><td></td><td></td><td></td><td>InChI=1S/C12H21NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h2,6-7,9-12,14-18H,1,3-5H2,(H,19,20,21)/p-1/b13-8+/t6-,7?,9+,10-,11?,12-/m0/s1</td><td>[H][C@](O)(CC=C)C\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/132">Rocket salad</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/280">Turnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000811">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="812"><td></td><td><a href="/entries/PHUB000812">Gluconasturtiin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-Phenylethyl-glucosinolate</td><td>PHUB000812</td><td>812</td><td>423.065773608</td><td>C<sub>15</sub>H<sub>21</sub>NO<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-phenyl-N-sulfooxypropanimidothioate; 2-Phenylethyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000812/image.svg" src="" /></td><td>CKIJIGYDFNXSET-ZANVAWHUSA-M</td><td>499-30-9</td><td>{[(E)-(3-phenyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxy}sulfonic acid</td><td>423.45</td><td></td><td></td><td></td><td>InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/p-1/b16-11+/t10?,12-,13+,14?,15+/m1/s1</td><td>OCC1O[C@@H](S\C(CCC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O</td><td>-0.22043366849541</td><td>-3.4660234835634585</td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/69">Garden cress</a> / <a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/97">Mustard</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/254">Radish</a> / <a href="/food_sources/327">Radish, Japanese</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/280">Turnip</a> / <a href="/food_sources/286">Watercress</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000812">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="813"><td></td><td><a href="/entries/PHUB000813">Glucoputranjivin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Isopropyl-glucosinolate</td><td>PHUB000813</td><td>813</td><td>361.050123544</td><td>C<sub>10</sub>H<sub>19</sub>NO<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Isopropylglucosinolate</td><td class="structure"><img data-src="/structures/PHUB000813/image.svg" src="" /></td><td>WGIQZGDVCQDPTG-DTDAJARQSA-M</td><td></td><td>{[(E)-(2-methyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxy}sulfonic acid</td><td>361.38</td><td></td><td></td><td></td><td>InChI=1S/C10H19NO9S2/c1-4(2)9(11-20-22(16,17)18)21-10-8(15)7(14)6(13)5(3-12)19-10/h4-8,10,12-15H,3H2,1-2H3,(H,16,17,18)/p-1/b11-9+/t5?,6-,7+,8?,10+/m1/s1</td><td>CC(C)C(\S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td>-0.42735879652710307</td><td>-3.587848956018901</td><td><a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/285">Wasabi</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000813">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="814"><td></td><td><a href="/entries/PHUB000814">Glucoraphanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-Methylsulfinylbutyl-glucosinolate</td><td>PHUB000814</td><td>814</td><td>437.048409467</td><td>C<sub>12</sub>H<sub>23</sub>NO<sub>10</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-isothiocyanato-4-(methylsulfinyl)butane; 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate; 4-(Methylsulfinyl)butylglucosinolate; 4-Methylsulfinylbutyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000814/image.svg" src="" /></td><td>GMMLNKINDDUDCF-HTTMVCNMSA-M</td><td></td><td></td><td>437.49</td><td></td><td></td><td></td><td>InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2
8-6H2,1H3,(H,19,20,21)/p-1/b13-8+/t7?,9-,10+,11?,12+,25?/m1/s1</td><td>CS(=O)CCCC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/423">Broccoli sprouts</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/132">Rocket salad</a> / <a href="/food_sources/144">Swede (Rutabaga)</a></td><td><a href="/entries/PHUB000821">Sulforaphane</a> / <a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB002432">2-thiothiazolidine-4-carboxylic acid</a> / <a href="/entries/PHUB001901">Sulforaphane-N-acetyl-L-cysteine</a> / <a href="/entries/PHUB002864">Sulforaphane-cysteine</a> / <a href="/entries/PHUB002866">Sulforaphane-glutathione</a> / <a href="/entries/PHUB002865">Sulforaphane-cysteine-glycine</a> / <a href="/entries/PHUB002867">Erucin-glutathione</a> / <a href="/entries/PHUB003021">Erucin</a> / <a href="/entries/PHUB002869">Erucin-cysteine-glycine</a> / <a href="/entries/PHUB002868">Erucin-cysteine</a> / <a href="/entries/PHUB002870">Erucin-N-acetyl-cysteine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000814">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="815"><td></td><td><a href="/entries/PHUB000815">
8Glucoraphenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-Methylsulfinyl-3-butenyl-glucosinolate</td><td>PHUB000815</td><td>815</td><td>435.032759402</td><td>C<sub>12</sub>H<sub>21</sub>NO<sub>10</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(Methylsulfinyl)but-3-enylglucosinolate; 4-Methylsulfinyl-3-butenyl glucosinolate; 4-Methylsulfinylbut-3-enyl glucosinolate</td><td class="structure"><img data-src="/structures/PHUB000815/image.svg" src="" /></td><td>ZFLXCZJBYSPSKU-SVMBXWEMSA-M</td><td></td><td></td><td>435.48</td><td></td><td></td><td></td><td>InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/p-1/b5-3+,13-8+/t7?,9-,10+,11?,12+,25?/m1/s1</td><td>CS(=O)\C=C\CC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O</td><td></td><td></td><td><a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/425">Daikon radish</a> / <a href="/food_sources/254">Radish</a> / <a href="/food_sources/424">Radish sprouts</a></td><td><a href="/entries/PHUB001900">Sulforaphene</a> / <a href="/entries/PHUB001901">Sulforaphane-N-acetyl-L-cysteine</a> / <a href="/entries/PHUB000821">Sulforaphane</a> / <a href="/entries/PHUB002864">Sulforaphane-cysteine</a> / <a href="/entries/PHUB002866">Sulforaphane-glutathione</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000815">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="816"><td></td><td><a href="/entries/PHUB000816">Glucotropaeolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Benzyl-glucosinolate</td><td>PHUB000816</td><td>816</td><td>409.050123544</td><td>C<sub>14</sub>H<sub>19</sub>NO<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Benzylglucosinolate</td><td class="structure"><img data-src="/structures/PHUB000816/image.svg" src="" /></td><td>QQGLQYQXUKHWPX-PUZZJGJESA-M</td><td></td><td>{[(E)-(2-phenyl-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene)amino]oxy}sulfonic acid</td><td>409.42</td><td></td><td></td><td></td><td>InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/p-1/b15-10+/t9?,11-,12+,13?,14+/m1/s1</td><td>OCC1O[C@@H](S\C(CC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O</td><td>-0.4071668067309791</td><td>-3.513863736652296</td><td><a href="/food_sources/69">Garden cress</a> / <a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/254">Radish</a></td><td><a href="/entries/PHUB002344">S-(Benzylcarbamothioyl)-L-cysteinylglycine</a> / <a href="/entries/PHUB000823">Benzyl isothiocyanate</a> / <a href="/entries/PHUB002873">Benzyl isothiocyanate-glutathione</a> / <a href="/entries/PHUB002874">Benzyl isothiocyanate-cysteine</a> / <a href="/entries/PHUB002875">Benzyl isothiocyanate-cysteine-glycine</a> / <a href="/entries/PHUB002876">Benzyl isothiocyanate-N-acetylcysteine</a> / <a href="/entries/PHUB002957">Benzylisothiocyanate-lysine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000816">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="817"><td></td><td><a href="/entries/PHUB000817">Neoglucobrassicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>1-Methoxy-3-indolylmethyl-glucosinolate</td><td>PHUB000817</td><td>817</td><td>478.071587264</td><td>C<sub>17</sub>H<sub>22</sub>N<sub>2</sub>O<sub>10</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Methoxy-3-indolylmethyl glucosinolate; 1-Methoxy-indolylmethyl glucosinolate; 1-methoxyindol-3-ylmethyl glucosinolate; 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl](1Z)-2-(1-methoxyindol-3-yl)-N-sulfooxyethanimidothioate</td><td class="structure"><img data-src="/structures/PHUB000817/image.svg" src="" /></td><td>PKKMITFKYRCCOL-ABORFPJUSA-M</td><td></td><td>{[(E)-[2-(1-methoxy-1H-indol-3-yl)-1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid</td><td>478.49</td><td></td><td></td><td></td><td>InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/p-1/b18-13+/t12?,14-,15+,16?,17+/m1/s1</td><td>CON1C=C(C\C(S[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=N/OS(O)(=O)=O)C2=C1C=CC=C2</td><td>-0.35774763095447737</td><td>-3.5205895771739484</td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/262">Savoy cabbage</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/280">Turnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000817">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="818"><td></td><td><a href="/entries/PHUB000818">Progoitrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-Hydroxy-3-butenyl-glucosinolate</td><td>PHUB000818</td><td>818</td><td>389.045038164</td><td>C<sub>11</sub>H<sub>19</sub>NO<sub>10</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Hydroxy-3-butenyl glucosinolate; 2-Hydroxybut-3-enyl glucosinolate; Glucorapiferin</td><td class="structure"><img data-src="/structures/PHUB000818/image.svg" src="" /></td><td>MYHSVHWQEVDFQT-ZCXQZIKDSA-M</td><td>585-95-5</td><td></td><td>389.39</td><td></td><td></td><td></td><td>InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/b12-7+/t5-,6?,8+,9-,10?,11-/m0/s1</td><td>[H][C@@](O)(C\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O)C=C</td><td></td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/228">Kohlrabi</a> / <a href="/food_sources/97">Mustard</a> / <a href="/food_sources/328">pak-choi</a> / <a href="/food_sources/262">Savoy cabbage</a> / <a href="/food_sources/144">Swede (Rutabaga)</a> / <a href="/food_sources/280">Turnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000818">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="819"><td></td><td><a href="/entries/PHUB000819">Sinalbin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-Hydroxybenzyl-glucosinolate</td><td>PHUB000819</td><td>819</td><td>425.045038164</td><td>C<sub>14</sub>H<sub>19</sub>NO<sub>10</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Hydroxybenzyl glucosinolate; Glucosinalbin; p-Hydroxybenzylglucosinolate</td><td class="structure"><img data-src="/structures/PHUB000819/image.svg" src="" /></td><td>WWBNBPSEKLOHJU-PUZZJGJESA-M</td><td></td><td></td><td>425.42</td><td></td><td></td><td></td><td>InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/b15-10+/t9?,11-,12+,13?,14+/m1/s1</td><td>OCC1O[C@@H](S\C(CC2=CC=C(O)C=C2)=N\OS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td><a href="/food_sources/97">Mustard</a> / <a href="/food_sources/254">Radish</a> / <a href="/food_sources/286">Watercress</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000819">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="820"><td></td><td><a href="/entries/PHUB000820">Sinigrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-Propenyl-glucosinolate</td><td>PHUB000820</td><td>820</td><td>359.034473479</td><td>C<sub>10</sub>H<sub>17</sub>NO<sub>9</sub>S<sub>2</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate; 2-Propenyl glucosinolate; Allylglucosinolate; Prop-2-enylglucosinolate</td><td class="structure"><img data-src="/structures/PHUB000820/image.svg" src="" /></td><td>PHZOWSSBXJXFOR-IUSWXCLFSA-M</td><td></td><td>{[(E)-(1-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino]oxy}sulfonic acid</td><td>359.36</td><td></td><td></td><td></td><td>InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/p-1/b11-6+/t5?,7-,8+,9?,10+/m1/s1</td><td>OCC1O[C@@H](S\C(CC=C)=N\OS(O)(=O)=O)C(O)[C@@H](O)[C@@H]1O</td><td>-0.49160518860207597</td><td>-3.618347617962352</td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/350">Cabbage, White</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/97">Mustard</a> / <a href="/food_sources/262">Savoy cabbage</a> / <a href="/food_sources/285">Wasabi</a></td><td><a href="/entries/PHUB002877">Allyl isothiocyanate-N-acetyl-L-cysteine</a> / <a href="/entries/PHUB002338">1-cyano-2,3-epithiopropane</a> / <a href="/entries/PHUB003039">3-butenenitrile</a> / <a href="/entries/PHUB000822">Allyl isothiocyanate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000820">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="821"><td></td><td><a href="/entries/PHUB000821">Sulforaphane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>1-isothiocyanato-4-(methylsulfinyl)butane</td><td>PHUB000821</td><td>821</td><td>177.028206326</td><td>C<sub>6</sub>H<sub>11</sub>NOS<sub>2</sub></td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Isothiocyanato-4-(methanesulfinyl)butane; 4-isothiocyanatobutyl methyl sulfoxide; 4-Methylsulfinyl butyl isothiocyanate</td><td class="structure"><img data-src="/structures/PHUB000821/image.svg" src="" /></td><td>SUVMJBTUFCVSAD-UHFFFAOYSA-N</td><td>4478-93-7</td><td>1-isothiocyanato-4-methanesulfinylbutane</td><td>177.28</td><td>2.55e+00 g/l</td><td>1.24</td><td>-1.84</td><td>InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3</td><td>CS(=O)CCCCN=C=S</td><td>0.8677939234443838</td><td></td><td><a href="/food_sources/423">Broccoli sprouts</a></td><td><a href="/entries/PHUB001901">Sulforaphane-N-acetyl-L-cysteine</a> / <a href="/entries/PHUB002866">Sulforaphane-glutathione</a> / <a href="/entries/PHUB002864">Sulforaphane-cysteine</a> / <a href="/entries/PHUB000821">Sulforaphane</a> / <a href="/entries/PHUB002865">Sulforaphane-cysteine-glycine</a> / <a href="/entries/PHUB003021">Erucin</a> / <a href="/entries/PHUB002867">Erucin-glutathione</a> / <a href="/entries/PHUB002869">Erucin-cysteine-glycine</a> / <a href="/entries/PHUB002868">Erucin-cysteine</a> / <a href="/entries/PHUB002870">Erucin-N-acetyl-cysteine</a> / <a href="/entries/PHUB002432">2-thiothiazolidine-4-carboxylic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000821">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="822"><td></td><td><a href="/entries/PHUB000822">Allyl isothiocyanate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000822</td><td>822</td><td>99.014270339</td><td>C<sub>4</sub>H<sub>5</sub>NS</td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Propenyl isothiocyanate; AITC</td><td class="structure"><img data-src="/structures/PHUB000822/image.svg" src="" /></td><td>ZOJBYZNEUISWFT-UHFFFAOYSA-N</td><td>57-06-7</td><td>3-isothiocyanatoprop-1-ene</td><td>99.15</td><td>3.21e-01 g/l</td><td>1.90</td><td>-2.49</td><td>InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2</td><td>C=CCN=C=S</td><td>0.6482851564875798</td><td></td><td><a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/97">Mustard</a></td><td><a href="/entries/PHUB002877">Allyl isothiocyanate-N-acetyl-L-cysteine</a> / <a href="/entries/PHUB002878">Allyl isothiocyanate-glutathione</a> / <a href="/entries/PHUB002879">Allyl isothiocyanate-cysteine</a> / <a href="/entries/PHUB002880">Allyl isothiocyanate-cysteine-glycine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000822">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="823"><td></td><td><a href="/entries/PHUB000823">Benzyl isothiocyanate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000823</td><td>823</td><td>149.029920403</td><td>C<sub>8</sub>H<sub>7</sub>NS</td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>BITC</td><td class="structure"><img data-src="/structures/PHUB000823/image.svg" src="" /></td><td>MDKCFLQDBWCQCV-UHFFFAOYSA-N</td><td></td><td>(isothiocyanatomethyl)benzene</td><td>149.21</td><td>5.66e-02 g/l</td><td>3.22</td><td>-3.42</td><td>InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2</td><td>S=C=NCC1=CC=CC=C1</td><td>0.33684331500455744</td><td></td><td><a href="/food_sources/69">Garden cress</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000823">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="824"><td></td><td><a href="/entries/PHUB000824">Phenethyl isothiocyanate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000824</td><td>824</td><td>163.045570468</td><td>C<sub>9</sub>H<sub>9</sub>NS</td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PEITC; Phenylethyl isothiocyanate</td><td class="structure"><img data-src="/structures/PHUB000824/image.svg" src="" /></td><td>IZJDOKYDEWTZSO-UHFFFAOYSA-N</td><td>2257-09-2</td><td>(2-isothiocyanatoethyl)benzene</td><td>163.24</td><td>2.77e-02 g/l</td><td>3.41</td><td>-3.77</td><td>InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2</td><td>S=C=NCCC1=CC=CC=C1</td><td>1.3558899414749934</td><td></td><td><a href="/food_sources/225">Horseradish</a> / <a href="/food_sources/280">Turnip</a> / <a href="/food_sources/286">Watercress</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000824">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="825"><td></td><td><a href="/entries/PHUB000825">Albine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000825</td><td>825</td><td>232.157563272</td><td>C<sub>14</sub>H<sub>20</sub>N<sub>2</sub>O</td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dehydroalbine</td><td class="structure"><img data-src="/structures/PHUB000825/image.svg" src="" /></td><td>QJVOZXGJOGJKPT-FMKGYKFTSA-N</td><td>53915-26-7</td><td></td><td>232.327</td><td>2.74e+00 g/l</td><td>0.39</td><td>-1.93</td><td>InChI=1S/C14H20N2O/c1-2-3-13-12-6-10(8-15-13)9-16-5-4-11(17)7-14(12)16/h2,4-5,10,12-15H,1,3,6-9H2/t10-,12-,13-,14-/m1/s1</td><td>C=CC[C@H]1NC[C@H]2C[C@H]1[C@H]1CC(=O)C=CN1C2</td><td></td><td></td><td><a href="/food_sources/332">White lupin beans</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000825">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="826"><td></td><td><a href="/entries/PHUB000826">Calystegin A3</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000826</td><td>826</td><td>159.089543283</td><td>C<sub>7</sub>H<sub>13</sub>NO<sub>3</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000826/image.svg" src="" /></td><td>XOCBOVUINUHZJA-RKXXOXFUSA-N</td><td></td><td>(2R,3R)-8-azabicyclo[3.2.1]octane-1,2,3-triol</td><td>159.185</td><td>6.60e+02 g/l</td><td>-1.19</td><td>0.62</td><td>InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4?,5-,6-,7?/m1/s1</td><td>O[C@@H]1CC2CCC(O)(N2)[C@@H]1O</td><td>9.140574878413886</td><td>12.234223062209619</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000826">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="827"><td></td><td><a href="/entries/PHUB000827">Calystegin B2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000827</td><td>827</td><td>175.084457903</td><td>C<sub>7</sub>H<sub>13</sub>NO<sub>4</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000827/image.svg" src="" /></td><td>FXFBVZOJVHCEDO-NSULPUJOSA-N</td><td></td><td>(1R,2R,3R,4S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol</td><td>175.184</td><td>7.33e+02 g/l</td><td>-1.81</td><td>0.62</td><td>InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3?,4-,5+,6+,7+/m0/s1</td><td>O[C@H]1C2CC[C@](O)(N2)[C@H](O)[C@@H]1O</td><td>8.572879603048014</td><td>12.129613675619897</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000827">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="828"><td></td><td><a href="/entries/PHUB000828">Gentianine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000828</td><td>828</td><td>175.063328534</td><td>C<sub>10</sub>H<sub>9</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000828/image.svg" src="" /></td><td>DFNZYFAJQPLJFI-UHFFFAOYSA-N</td><td></td><td>5-ethenyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-one</td><td>175.187</td><td>1.94e+01 g/l</td><td>1.01</td><td>-0.96</td><td>InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2</td><td>C=CC1=C2CCOC(=O)C2=CN=C1</td><td>3.0113062502608607</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000828">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="829"><td></td><td><a href="/entries/PHUB000829">Harman</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000829</td><td>829</td><td>182.08439833</td><td>C<sub>12</sub>H<sub>10</sub>N<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Methyl-beta-carboline; Aribine; Loturine; Passiflorine</td><td class="structure"><img data-src="/structures/PHUB000829/image.svg" src="" /></td><td>PSFDQSOCUJVVGF-UHFFFAOYSA-N</td><td></td><td>1-methyl-9H-pyrido[3,4-b]indole</td><td>182.226</td><td>9.67e-02 g/l</td><td>3.36</td><td>-3.28</td><td>InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3</td><td>CC1=C2NC3=CC=CC=C3C2=CC=N1</td><td>5.972448491323834</td><td>13.718027367541739</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000829">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="830"><td></td><td><a href="/entries/PHUB000830">Harmine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000830</td><td>830</td><td>212.094963014</td><td>C<sub>13</sub>H<sub>12</sub>N<sub>2</sub>O</td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Banisterine; Leucoharmine; Telepathine; Yageine</td><td class="structure"><img data-src="/structures/PHUB000830/image.svg" src="" /></td><td>BXNJHAXVSOCGBA-UHFFFAOYSA-N</td><td></td><td>7-methoxy-1-methyl-9H-pyrido[3,4-b]indole</td><td>212.252</td><td>6.13e-02 g/l</td><td>3.05</td><td>-3.54</td><td>InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3</td><td>COC1=CC=C2C(NC3=C2C=CN=C3C)=C1</td><td>6.153844207655581</td><td>13.542985998251853</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000830">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="831"><td></td><td><a href="/entries/PHUB000831">Hyoscyamine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000831</td><td>831</td><td>289.167793605</td><td>C<sub>17</sub>H<sub>23</sub>NO<sub>3</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Daturine; Duboisine</td><td class="structure"><img data-src="/structures/PHUB000831/image.svg" src="" /></td><td>RKUNBYITZUJHSG-LGGPCSOHSA-N</td><td></td><td>8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate</td><td>289.375</td><td>2.52e+00 g/l</td><td>2.19</td><td>-2.06</td><td>InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13?,14?,15?,16-/m1/s1</td><td>[H][C@](CO)(C(=O)OC1([H])CC2([H])CCC([H])(C1)N2C)C1=CC=CC=C1</td><td>9.385561870758496</td><td>15.145740617562414</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000831">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="832"><td></td><td><a href="/entries/PHUB000832">Perlolyrine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000832</td><td>832</td><td>264.089877634</td><td>C<sub>16</sub>H<sub>12</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000832/image.svg" src="" /></td><td>KFUCYPGCMLPUMT-UHFFFAOYSA-N</td><td></td><td>(5-{9H-pyrido[3,4-b]indol-1-yl}furan-2-yl)methanol</td><td>264.284</td><td>8.92e-02 g/l</td><td>2.66</td><td>-3.47</td><td>InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2</td><td>OCC1=CC=C(O1)C1=NC=CC2=C1NC1=CC=CC=C21</td><td>2.788123060421007</td><td>12.433887143113585</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000832">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="833"><td></td><td><a href="/entries/PHUB000833">Physoperuvine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000833</td><td>833</td><td>141.115364107</td><td>C<sub>8</sub>H<sub>15</sub>NO</td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Hydroxytropane</td><td class="structure"><img data-src="/structures/PHUB000833/image.svg" src="" /></td><td>BKWVNPXVPQOROM-UHFFFAOYSA-N</td><td></td><td>8-methyl-8-azabicyclo[3.2.1]octan-1-ol</td><td>141.214</td><td>3.81e+02 g/l</td><td>0.68</td><td>0.43</td><td>InChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3</td><td>CN1C2CCC1(O)CCC2</td><td>9.013518361442477</td><td>13.212127692903627</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000833">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="834"><td></td><td><a href="/entries/PHUB000834">(-)-Salsolinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000834</td><td>834</td><td>179.094628663</td><td>C<sub>10</sub>H<sub>13</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000834/image.svg" src="" /></td><td>IBRKLUSXDYATLG-LURJTMIESA-N</td><td></td><td>(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol</td><td>179.219</td><td>6.71e+00 g/l</td><td>0.16</td><td>-1.43</td><td>InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1</td><td>C[C@@H]1NCCC2=CC(O)=C(O)C=C12</td><td>8.492597186151377</td><td>9.52443980965133</td><td><a href="/food_sources/12">Banana</a></td><td><a href="/entries/PHUB001950">Salsolinol-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000834">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="835"><td></td><td><a href="/entries/PHUB000835">Scopolamine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000835</td><td>835</td><td>303.14705816</td><td>C<sub>17</sub>H<sub>21</sub>NO<sub>4</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6,7-Epoxytropine tropate; Hyoscine; Scopine tropate</td><td class="structure"><img data-src="/structures/PHUB000835/image.svg" src="" /></td><td>STECJAGHUSJQJN-PMFPHFEJSA-N</td><td></td><td>9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate</td><td>303.358</td><td>6.61e+00 g/l</td><td>1.40</td><td>-1.66</td><td>InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13?,14?,15?,16?/m1/s1</td><td>[H][C@](CO)(C(=O)OC1CC2C3OC3C(C1)N2C)C1=CC=CC=C1</td><td>6.953523808607151</td><td>15.145739865848089</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000835">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="836"><td></td><td><a href="/entries/PHUB000836">Arecaidine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000836</td><td>836</td><td>141.078978598</td><td>C<sub>7</sub>H<sub>11</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Pyrrolidine and piperidine alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Pyrrolidines and piperidines (parent, host and microbial metabolites)</td><td>Arecaine</td><td class="structure"><img data-src="/structures/PHUB000836/image.svg" src="" /></td><td>DNJFTXKSFAMXQF-UHFFFAOYSA-N</td><td>499-04-7</td><td>1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid</td><td>141.17</td><td>5.10e+02 g/l</td><td>-1.43</td><td>0.56</td><td>InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)</td><td>CN1CCC=C(C1)C(O)=O</td><td>9.111089325162386</td><td>3.589299986919647</td><td><a href="/food_sources/406">Areca nut</a></td><td><a href="/entries/PHUB000836">Arecaidine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000836">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="837"><td></td><td><a href="/entries/PHUB000837">Arecoline</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000837</td><td>837</td><td>155.094628663</td><td>C<sub>8</sub>H<sub>13</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Pyrrolidine and piperidine alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Pyrrolidines and piperidines (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000837/image.svg" src="" /></td><td>HJJPJSXJAXAIPN-UHFFFAOYSA-N</td><td>63-75-2</td><td>methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate</td><td>155.197</td><td>4.46e+02 g/l</td><td>0.55</td><td>0.46</td><td>InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3</td><td>COC(=O)C1=CCCN(C)C1</td><td>8.225681392301013</td><td></td><td><a href="/food_sources/406">Areca nut</a></td><td><a href="/entries/PHUB000837">Arecoline</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000837">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="838"><td></td><td><a href="/entries/PHUB000838">Carpaine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000838</td><td>838</td><td>478.377058098</td><td>C<sub>28</sub>H<sub>50</sub>N<sub>2</sub>O<sub>4</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Pyrrolidine and piperidine alkaloids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000838/image.svg" src="" /></td><td>AMSCMASJCYVAIF-QCVMBYIASA-N</td><td></td><td>(1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2^{11,14}]triacontane-3,16-dione</td><td>478.718</td><td>8.18e-04 g/l</td><td>4.48</td><td>-5.77</td><td>InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1</td><td>C[C@@H]1N[C@H]2CC[C@@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)N1</td><td>9.89867226939918</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000838">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="839"><td></td><td><a href="/entries/PHUB000839">Cucurbitine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000839</td><td>839</td><td>130.07422757</td><td>C<sub>5</sub>H<sub>10</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Pyrrolidine and piperidine alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Amino-beta-proline</td><td class="structure"><img data-src="/structures/PHUB000839/image.svg" src="" /></td><td>DWAKXSZUASEUHH-RXMQYKEDSA-N</td><td></td><td>(3R)-3-aminopyrrolidine-3-carboxylic acid</td><td>130.147</td><td>2.62e+02 g/l</td><td>-3.19</td><td>0.30</td><td>InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m1/s1</td><td>N[C@@]1(CCNC1)C(O)=O</td><td>10.675745589337183</td><td>1.693626764089385</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000839">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="840"><td></td><td><a href="/entries/PHUB000840">Fagomine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000840</td><td>840</td><td>147.089543283</td><td>C<sub>6</sub>H<sub>13</sub>NO<sub>3</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Pyrrolidine and piperidine alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4-Dihydroxy-2-piperidine-methanol</td><td class="structure"><img data-src="/structures/PHUB000840/image.svg" src="" /></td><td>YZNNBIPIQWYLDM-HSUXUTPPSA-N</td><td></td><td>(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol</td><td>147.174</td><td>5.73e+02 g/l</td><td>-1.55</td><td>0.59</td><td>InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1</td><td>OC[C@H]1NCC[C@@H](O)[C@@H]1O</td><td>8.630686174074768</td><td>13.431832079316843</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000840">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="841"><td></td><td><a href="/entries/PHUB000841">Guvacine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000841</td><td>841</td><td>127.063328534</td><td>C<sub>6</sub>H<sub>9</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Pyrrolidine and piperidine alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Pyrrolidines and piperidines (parent, host and microbial metabolites)</td><td>1,2,5,6-tetrahydro-3-pyridinecarboxylic acid; 1,2,5,6-tetrahydronicotinic acid</td><td class="structure"><img data-src="/structures/PHUB000841/image.svg" src="" /></td><td>QTDZOWFRBNTPQR-UHFFFAOYSA-N</td><td>498-96-4</td><td>1,2,5,6-tetrahydropyridine-3-carboxylic acid</td><td>127.143</td><td>3.08e+01 g/l</td><td>-2.24</td><td>-0.62</td><td>InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)</td><td>OC(=O)C1=CCCNC1</td><td>9.767888308840712</td><td>3.571960410080911</td><td><a href="/food_sources/406">Areca nut</a></td><td><a href="/entries/PHUB000841">Guvacine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000841">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="842"><td></td><td><a href="/entries/PHUB000842">(-)-Pelletierine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000842</td><td>842</td><td>141.115364107</td><td>C<sub>8</sub>H<sub>15</sub>NO</td><td>N-containing compounds</td><td>Alkaloids</td><td>Pyrrolidine and piperidine alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Isopelletierine</td><td class="structure"><img data-src="/structures/PHUB000842/image.svg" src="" /></td><td>JEIZLWNUBXHADF-MRVPVSSYSA-N</td><td></td><td>1-[(2R)-piperidin-2-yl]propan-2-one</td><td>141.214</td><td>1.90e+01 g/l</td><td>0.68</td><td>-0.87</td><td>InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m1/s1</td><td>CC(=O)C[C@H]1CCCCN1</td><td>9.864193023501715</td><td>18.791597527891952</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000842">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="843"><td></td><td><a href="/entries/PHUB000843">Piperine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000843</td><td>843</td><td>285.136493476</td><td>C<sub>17</sub>H<sub>19</sub>NO<sub>3</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Pyrrolidine and piperidine alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Piperinoylpiperidine</td><td class="structure"><img data-src="/structures/PHUB000843/image.svg" src="" /></td><td>MXXWOMGUGJBKIW-YPCIICBESA-N</td><td></td><td>(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one</td><td>285.343</td><td>1.49e-01 g/l</td><td>3.38</td><td>-3.28</td><td>InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+</td><td>O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1</td><td>-0.13200194795020023</td><td></td><td><a href="/food_sources/114">Pepper</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000843">Show Entry</a></td></tr><tr data-biomarker="biomarker" data-kind="precursor" id="844"><td></td><td><a href="/entries/PHUB000844">Proline betaine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="biomarker" class="label-biomarker"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000844</td><td>844</td><td>143.094628663</td><td>C<sub>7</sub>H<sub>13</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cadabine; Stachydrine</td><td class="structure"><img data-src="/structures/PHUB000844/image.svg" src="" /></td><td>CMUNUTVVOOHQPW-LURJTMIESA-N</td><td></td><td>(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate</td><td>143.186</td><td>6.66e-01 g/l</td><td>-2.24</td><td>-2.47</td><td>InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1</td><td>C[N+]1(C)CCC[C@H]1C([O-])=O</td><td></td><td>3.258526077274334</td><td><a href="/food_sources/359">Crosne</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/87">Lemon</a> / <a href="/food_sources/91">Lime</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/149">Sweet orange</a></td><td></td><td>Sweet orange</td><td class="shower"><a class="btn-show" href="/entries/PHUB000844">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="845"><td></td><td><a href="/entries/PHUB000845">Trichostachine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000845</td><td>845</td><td>271.120843411</td><td>C<sub>16</sub>H<sub>17</sub>NO<sub>3</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Pyrrolidine and piperidine alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Piperyline; Pyrroperine</td><td class="structure"><img data-src="/structures/PHUB000845/image.svg" src="" /></td><td>GQIJYUMTOUBHSH-IJIVKGSJSA-N</td><td></td><td>(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)penta-2,4-dien-1-one</td><td>271.316</td><td>4.35e-01 g/l</td><td>3.01</td><td>-2.80</td><td>InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2+</td><td>O=C(\C=C\C=C\C1=CC=C2OCOC2=C1)N1CCCC1</td><td>-0.2346267384054847</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000845">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="846"><td></td><td><a href="/entries/PHUB000846">Chaconine (alpha-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000846</td><td>846</td><td>851.503106035</td><td>C<sub>45</sub>H<sub>73</sub>NO<sub>14</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Steroid alkaloids (parent, host and microbial metabolites)</td><td>a-Chaconine; Chaconine; Conine</td><td class="structure"><img data-src="/structures/PHUB000846/image.svg" src="" /></td><td>TYNQWWGVEGFKRU-BAMJSYLTSA-N</td><td></td><td>(2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-{[(1S,2S,7S,10S,11S,14R,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-yl]oxy}-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol</td><td>852.072</td><td>2.90e-01 g/l</td><td>1.87</td><td>-3.47</td><td>InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44+,45+/m0/s1</td><td>[H][C@@]1(C)[C@@]2([H])CC[C@]([H])(C)CN2[C@@]2([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@]([H])(CC[C@@]5(C)[C@@]4([H])CC[C@@]3(C)[C@@]12[H])O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O</td><td>11.784001120236216</td><td>12.218002600948317</td><td><a href="/food_sources/122">Potato</a></td><td><a href="/entries/PHUB000846">Chaconine (alpha-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000846">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="847"><td></td><td><a href="/entries/PHUB000847">Dehydrotomatine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000847</td><td>847</td><td>1031.530108632</td><td>C<sub>50</sub>H<sub>81</sub>NO<sub>21</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Tomatidenol 3-lycotetraoside</td><td class="structure"><img data-src="/structures/PHUB000847/image.svg" src="" /></td><td>BYMOGFTUZUEFHY-IMSFCOTOSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(5'S,6S,7S,9S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>1032.184</td><td>1.82e+00 g/l</td><td>-0.09</td><td>-2.75</td><td>InChI=1S/C50H81NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h5,20-21,23-47,51-63H,6-19H2,1-4H3/t20-,21-,23-,24?,25?,26?,27+,28?,29+,30+,31+,32?,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1</td><td>C[C@H]1C2C(CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@]11CC[C@H](C)CN1</td><td>9.5391330235987</td><td>11.779276536240427</td><td><a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/363">Green tomato</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000847">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="848"><td></td><td><a href="/entries/PHUB000848">Demissidine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000848</td><td>848</td><td>399.350115073</td><td>C<sub>27</sub>H<sub>45</sub>NO</td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000848/image.svg" src="" /></td><td>JALVTHFTYRPDMB-HRRTYWNUSA-N</td><td></td><td>(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracosan-7-ol</td><td>399.663</td><td>2.21e-04 g/l</td><td>5.02</td><td>-6.26</td><td>InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1</td><td>C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12</td><td>12.437052139202105</td><td>18.296396321121705</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000848">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="849"><td></td><td><a href="/entries/PHUB000849">Demissine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000849</td><td>849</td><td>1017.550844077</td><td>C<sub>50</sub>H<sub>83</sub>NO<sub>20</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>beta-Demissidine glycoside</td><td class="structure"><img data-src="/structures/PHUB000849/image.svg" src="" /></td><td>KWRYHKRVKRBBBU-RDQTZTQHSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracosan-7-yl]oxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>1018.201</td><td>1.63e+00 g/l</td><td>0.24</td><td>-2.80</td><td>InChI=1S/C50H83NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h20-48,52-63H,5-19H2,1-4H3/t20-,21+,22-,23-,24+,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-,43-,44+,45-,46+,47-,48-,49-,50-/m0/s1</td><td>C[C@@H]1[C@@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O</td><td>12.422294078442892</td><td>11.69163135952237</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000849">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="850"><td></td><td><a href="/entries/PHUB000850">Solamargine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000850</td><td>850</td><td>867.498020655</td><td>C<sub>45</sub>H<sub>73</sub>NO<sub>15</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000850/image.svg" src="" /></td><td>MBWUSSKCCUMJHO-ZGXDEBHDSA-N</td><td></td><td>(2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol</td><td>868.071</td><td>1.98e-01 g/l</td><td>1.52</td><td>-3.64</td><td>InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1</td><td>
8C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1</td><td>9.53968073522942</td><td>11.88593874237386</td><td><a href="/food_sources/61">Eggplant</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000850">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="851"><td></td><td><a href="/entries/PHUB000851">Solanidine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000851</td><td>851</td><td>397.334465009</td><td>C<sub>27</sub>H<sub>43</sub>NO</td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Steroid alkaloids (parent, host and microbial metabolites)</td><td>Purapuridine; Solamidine T; Solancarpidine; solanid-5-en-3beta-ol; Solatubine</td><td class="structure"><img data-src="/structures/PHUB000851/image.svg" src="" /></td><td>JVKYZPBMZPJNAJ-OQFNDJACSA-N</td><td></td><td>(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-ol</td><td>397.647</td><td>3.96e-04 g/l</td><td>4.93</td><td>-6.00</td><td>InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1</td><td>[H][C@]12CC[C@H](C)CN1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C</td><td>12.46848020823706</td><td>18.20428950550382</td><td><a href="/food_sources/122">Potato</a></td><td><a href="/entries/PHUB000851">Solanidine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000851">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="852"><td></td><td><a href="/entries/PHUB000852">Solanine (alpha-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000852</td><td>852</td><td>867.498020655</td><td>C<sub>45</sub>H<sub>73</sub>NO<sub>15</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Steroid alkaloids (parent, host and microbial metabolites)</td><td>Solatunine</td><td class="structure"><img data-src="/structures/PHUB000852/image.svg" src="" /></td><td>ZGVSETXHNHBTRK-WWELWOLRSA-N</td><td>20562-02-1</td><td>(2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-{[(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-yl]oxy}-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>868.071</td><td>6.19e-01 g/l</td><td>1.29</td><td>-3.15</td><td>InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23?,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1</td><td>C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5CC(CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</td><td>11.784741339747352</td><td>12.220431599446616</td><td><a href="/food_sources/61">Eggplant</a> / <a href="/food_sources/122">Potato</a></td><td><a href="/entries/PHUB000852">Solanine (alpha-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000852">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="853"><td></td><td><a href="/entries/PHUB000853">Solasodine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000853</td><td>853</td><td>413.329379629</td><td>C<sub>27</sub>H<sub>43</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Purpapuridine; Solancarpidine; Solasodine-S</td><td class="structure"><img data-src="/structures/PHUB000853/image.svg" src="" /></td><td>KWVISVAMQJWJSZ-VKROHFNGSA-N</td><td></td><td>(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-18-en-16-ol</td><td>413.646</td><td>8.38e-04 g/l</td><td>4.45</td><td>-5.69</td><td>InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1</td><td>
8C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CN1</td><td>9.5416478856025</td><td>18.204289505503816</td><td><a href="/food_sources/61">Eggplant</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000853">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="854"><td></td><td><a href="/entries/PHUB000854">Solasonine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000854</td><td>854</td><td>883.492935275</td><td>C<sub>45</sub>H<sub>73</sub>NO<sub>16</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Purapurine; Solanine-S; Solasodamine</td><td class="structure"><img data-src="/structures/PHUB000854/image.svg" src="" /></td><td>QCTMYNGDIBTNSK-XEAAVONHSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-18-eneoxy]-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>884.07</td><td>4.10e-01 g/l</td><td>0.90</td><td>-3.33</td><td>InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1</td><td>
8C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1</td><td>9.539684949012674</td><td>11.886873840918451</td><td><a href="/food_sources/61">Eggplant</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000854">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="855"><td></td><td><a href="/entries/PHUB000855">Tomatidine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000855</td><td>855</td><td>415.345029693</td><td>C<sub>27</sub>H<sub>45</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Steroid alkaloids (parent, host and microbial metabolites)</td><td>5alpha-tomatidan-3beta-ol</td><td class="structure"><img data-src="/structures/PHUB000855/image.svg" src="" /></td><td>XYNPYHXGMWJBLV-VXPJTDKGSA-N</td><td></td><td>(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-16-ol</td><td>415.662</td><td>1.89e-04 g/l</td><td>4.72</td><td>-6.34</td><td>InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1</td><td>
8C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11CC[C@H](C)CN1</td><td>9.541647886074307</td><td>18.2963963211217</td><td></td><td><a href="/entries/PHUB001347">Tomatidine O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000855">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="856"><td></td><td><a href="/entries/PHUB000856">Tomatine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000856</td><td>856</td><td>1033.545758697</td><td>C<sub>50</sub>H<sub>83</sub>NO<sub>21</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Steroid alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>A''-Tomatidine; Lycopericin; Lycopersicin; Tomatine (alpha-)</td><td class="structure"><img data-src="/structures/PHUB000856/image.svg" src="" /></td><td>REJLGAUYTKNVJM-SGXCCWNXSA-N</td><td>17406-45-0</td><td>(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidine]oxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>1034.2</td><td>1.71e+00 g/l</td><td>-0.14</td><td>-2.78</td><td>InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1</td><td>
8C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@]11CC[C@H](C)CN1</td><td>9.539133055650797</td><td>11.779281985325845</td><td><a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/363">Green tomato</a> / <a href="/food_sources/84">Ketchup</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/364">Tomato juice</a></td><td><a href="/entries/PHUB000855">Tomatidine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000856">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="857"><td></td><td><a href="/entries/PHUB000857">6-Hydroxyluteolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000857</td><td>857</td><td>302.042652662</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,6,7,3',4'-Pentahydroxyflavone</td><td class="structure"><img data-src="/structures/PHUB000857/image.svg" src="" /></td><td>VYAKIUWQLHRZGK-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-chromen-4-one</td><td>302.238</td><td>1.90e-01 g/l</td><td>2.36</td><td>-3.20</td><td>InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H</td><td>OC1=CC2=C(C(O)=C1O)C(=O)C=C(O2)C1=CC(O)=C(O)C=C1</td><td>-5.367697866553417</td><td>6.750136043494176</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000857">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="858"><td></td><td><a href="/entries/PHUB000858">6-Hydroxyluteolin 7-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000858</td><td>858</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000858/image.svg" src="" /></td><td>WBSLGYBCKVSSQR-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one</td><td>448.38</td><td>1.41e+00 g/l</td><td>1.32</td><td>-2.50</td><td>InChI=1S/C21H20O11/c1-7-16(25)19(28)20(29)21(30-7)32-14-6-13-15(18(27)17(14)26)11(24)5-12(31-13)8-2-3-9(22)10(23)4-8/h2-7,16,19-23,25-29H,1H3</td><td>CC1OC(OC2=CC3=C(C(=O)C=C(O3)C3=CC(O)=C(O)C=C3)C(O)=C2O)C(O)C(O)C1O</td><td>-3.612200378949558</td><td>7.514926693080516</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000858">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="859"><td></td><td><a href="/entries/PHUB000859">7,3',4'-Trihydroxyflavone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000859</td><td>859</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000859/image.svg" src="" /></td><td>PVFGJHYLIHMCQD-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one</td><td>270.24</td><td>
81.04e-01 g/l</td><td>3.07</td><td>-3.42</td><td>InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H</td><td>OC1=CC2=C(C=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C=C1</td><td>-5.372639914119746</td><td>6.50319266243559</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000859">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="860"><td></td><td><a href="/entries/PHUB000860">7,4'-Dihydroxyflavone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000860</td><td>860</td><td>254.057908802</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000860/image.svg" src="" /></td><td>LCAWNFIFMLXZPQ-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>254.241</td><td>8.29e-02 g/l</td><td>3.34</td><td>-3.49</td><td>InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H</td><td>OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2</td><td>-5.37146336669763</td><td>6.503358652785241</td><td></td><td><a href="/entries/PHUB000859">7,3',4'-Trihydroxyflavone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000860">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="861"><td></td><td><a href="/entries/PHUB000861">Apigenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000861</td><td>861</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7,4'-Trihydroxyflavone; chamomile; versulin</td><td class="structure"><img data-src="/structures/PHUB000861/image.svg" src="" /></td><td>KZNIFHPLKGYRTM-UHFFFAOYSA-N</td><td>520-36-5</td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>270.24</td><td>1.18e-01 g/l</td><td>3.07</td><td>-3.36</td><td>InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H</td><td>OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1</td><td>-5.381179969028222</td><td>6.574691761170129</td><td><a href="/food_sources/367">Celery leaves</a> / <a href="/food_sources/29">Celery stalks</a> / <a href="/food_sources/30">Chamomile tea</a> / <a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/106">Parsley</a></td><td><a href="/entries/PHUB000866">Apigenin 7-O-glucuronide</a> / <a href="/entries/PHUB000861">Apigenin</a> / <a href="/entries/PHUB002978">Apigenin 4'-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000861">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="862"><td></td><td><a href="/entries/PHUB000862">Apigenin 7,4'-dimethyl ether</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000862</td><td>862</td><td>298.084123551</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000862/image.svg" src="" /></td><td>LZERJKGWTQYMBB-UHFFFAOYSA-N</td><td></td><td>5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one</td><td>298.294</td><td>3.16e-02 g/l</td><td>3.56</td><td>-3.97</td><td>InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3</td><td>COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC)C=C2O1</td><td>-4.485557942629644</td><td>7.365720396590681</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000862">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="863"><td></td><td><a href="/entries/PHUB000863">Apigenin 7-O-(6''-malonyl-apiosyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000863</td><td>863</td><td>650.148299506</td><td>C<sub>29</sub>H<sub>30</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000863/image.svg" src="" /></td><td>CWXBFJLEJGCTRB-PMUUMJNOSA-N</td><td></td><td>3-{[(2R,3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}oxolan-2-yl]methoxy}-3-oxopropanoic acid</td><td>650.542</td><td>8.60e-01 g/l</td><td>0.60</td><td>-2.88</td><td>InChI=1S/C29H30O17/c30-12-3-1-11(2-4-12)16-7-15(32)22-14(31)5-13(6-17(22)44-16)43-29-27(40)25(38)23(36)19(46-29)10-42-28-26(39)24(37)18(45-28)9-41-21(35)8-20(33)34/h1-7,18-19,23-31,36-40H,8-10H2,(H,33,34)/t18-,19-,23-,24-,25+,26-,27-,28-,29-/m1/s1</td><td>O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O</td><td>-3.648685994337584</td><td>3.4823420421634887</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000863">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="864"><td></td><td><a href="/entries/PHUB000864">Apigenin 7-O-diglucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000864</td><td>864</td><td>622.116999377</td><td>C<sub>27</sub>H<sub>26</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000864/image.svg" src="" /></td><td>SJFTVAAHLRFBST-DBFWEQBMSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid</td><td>622.488</td><td>2.94e+00 g/l</td><td>0.86</td><td>-2.33</td><td>InChI=1S/C27H26O17/c28-9-3-1-8(2-4-9)13-7-12(30)15-11(29)5-10(6-14(15)41-13)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.7322955043212</td><td>2.5995742175909466</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000864">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="865"><td></td><td><a href="/entries/PHUB000865">Apigenin 7-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000865</td><td>865</td><td>432.105646844</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000865/image.svg" src="" /></td><td>KMOUJOKENFFTPU-QNDFHXLGSA-N</td><td></td><td>5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>432.381</td><td>9.71e-01 g/l</td><td>0.68</td><td>-2.65</td><td>InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343758667</td><td>7.297639893816179</td><td><a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/258">Roman camomile</a></td><td><a href="/entries/PHUB000861">Apigenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000865">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="866"><td></td><td><a href="/entries/PHUB000866">Apigenin 7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000866</td><td>866</td><td>446.0849114</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000866/image.svg" src="" /></td><td>JBFOLLJCGUCDQP-ZFORQUDYSA-N</td><td>29741-09-1</td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid</td><td>446.364</td><td>1.35e+00 g/l</td><td>1.03</td><td>-2.52</td><td>InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1</td><td>[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.6868267780685726</td><td>2.7392101984503436</td><td></td><td><a href="/entries/PHUB000861">Apigenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000866">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="867"><td></td><td><a href="/entries/PHUB000867">Apiin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000867</td><td>867</td><td>564.147905582</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-C-(hydroxymethyl)-β-D-glycero-tetrofuranosyl-(; 5,7,4'-trihydroxyflavone 7-O-[β-D-apiosyl-(1â2)-β-D-glucoside]; 7-((2-O-beta-D-Apiofuranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyra; 7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzo; 7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone; apigenin 7-O-[β-D-apiosyl-(1â2)-β-D-glucoside]; Apigenin 7-O-apiosyl-glucoside; Apigenin-7-O-(2-O-apiosyl)glucoside; apigenin-7-O-[β-D-Apiofuranosyl-(1â2)-β-D-glucopyranoside; Apioside</td><td class="structure"><img data-src="/structures/PHUB000867/image.svg" src="" /></td><td>NTDLXWMIWOECHG-YRCFQSNFSA-N</td><td>26544-34-3</td><td>7-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>564.496</td><td>1.53e+00 g/l</td><td>-0.17</td><td>-2.57</td><td>InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32
8-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O</td><td>-2.981092569339453</td><td>7.297616365100709</td><td><a href="/food_sources/367">Celery leaves</a> / <a href="/food_sources/29">Celery stalks</a> / <a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000867">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="868"><td></td><td><a href="/entries/PHUB000868">Baicalein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000868</td><td>868</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,6,7-Trihydroxyflavone</td><td class="structure"><img data-src="/structures/PHUB000868/image.svg" src="" /></td><td>FXNFHKRTJBSTCS-UHFFFAOYSA-N</td><td></td><td>5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one</td><td>270.24</td><td>1.53e-01 g/l</td><td>3.19</td><td>-3.25</td><td>InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H</td><td>OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1</td><td>-5.3675431356589005</td><td>6.755033160681343</td><td></td><td><a href="/entries/PHUB000868">Baicalein</a> / <a href="/entries/PHUB003030">Baicalein-7-O-sulfate</a> / <a href="/entries/PHUB003031">Baicalein-6-O-glucuronide-7-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000868">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="869"><td></td><td><a href="/entries/PHUB000869">Carlinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000869</td><td>869</td><td>580.142820202</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000869/image.svg" src="" /></td><td>XBGYTZHKGMCEGE-VYUBKLCTSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-chromen-4-one</td><td>580.495</td><td>8.23e+00 g/l</td><td>-0.75</td><td>-1.85</td><td>InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C(O)=C1</td><td>-3.6447308934373415</td><td>5.737584425596325</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000869">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="870"><td></td><td><a href="/entries/PHUB000870">Chrysin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000870</td><td>870</td><td>254.057908802</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>5,7-Dihydroxyflavone</td><td class="structure"><img data-src="/structures/PHUB000870/image.svg" src="" /></td><td>RTIXKCRFFJGDFG-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-phenyl-4H-chromen-4-one</td><td>254.241</td><td>1.05e-01 g/l</td><td>3.44</td><td>-3.38</td><td>InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H</td><td>OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1</td><td>-5.382203662884746</td><td>6.577777051084265</td><td></td><td><a href="/entries/PHUB000870">Chrysin</a> / <a href="/entries/PHUB002979">Chrysin glucuronide</a> / <a href="/entries/PHUB002980">Chrysin sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000870">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="871"><td></td><td><a href="/entries/PHUB000871">Chrysoeriol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000871</td><td>871</td><td>300.063388106</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Luteolin 3'-Methyl ether</td><td class="structure"><img data-src="/structures/PHUB000871/image.svg" src="" /></td><td>SCZVLDHREVKTSH-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one</td><td>300.266</td><td>6.84e-02 g/l</td><td>3.07</td><td>-3.64</td><td>InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3</td><td>COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1</td><td>-4.77407043443259</td><td>6.57670924840807</td><td></td><td><a href="/entries/PHUB000871">Chrysoeriol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000871">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="872"><td></td><td><a href="/entries/PHUB000872">Chrysin 5,7-dimethyl ether</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000872</td><td>872</td><td>282.089208931</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000872/image.svg" src="" /></td><td>JRFZSUMZAUHNSL-UHFFFAOYSA-N</td><td></td><td>5,7-dimethoxy-2-phenyl-4H-chromen-4-one</td><td>282.295</td><td>1.63e-02 g/l</td><td>3.29</td><td>-4.24</td><td>InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3</td><td>COC1=CC(OC)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1</td><td>-4.514411431675103</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000872">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="873"><td></td><td><a href="/entries/PHUB000873">Chrysoeriol 7-O-(6''-malonyl-apiosyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000873</td><td>873</td><td>680.15886419</td><td>C<sub>30</sub>H<sub>32</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000873/image.svg" src="" /></td><td>IGMXPYZQDLGVQE-NJCUNIDNSA-N</td><td></td><td>3-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}-3-oxopropanoic acid</td><td>680.568</td><td>8.27e-01 g/l</td><td>0.67</td><td>-2.92</td><td>InChI=1S/C30H32O18/c1-42-18-4-12(2-3-14(18)32)17-7-16(34)23-15(33)5-13(6-19(23)46-17)45-28-26(48-29-27(40)30(41,10-31)11-44-29)25(39)24(38)20(47-28)9-43-22(37)8-21(35)36/h2-7,20,24-29,31-33,38-41H,8-11H2,1H3,(H,35,36)/t20-,24-,25+,26-,27+,28-,29+,30-/m1/s1</td><td>COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O)C=C2O</td><td>-3.142379140564365</td><td>3.37299841818036</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000873">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="874"><td></td><td><a href="/entries/PHUB000874">Chrysoeriol 7-O-(6''-malonyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000874</td><td>874</td><td>548.116605453</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000874/image.svg" src="" /></td><td>PLQBKZOSLQNLOX-GOZZSVHWSA-N</td><td></td><td>3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid</td><td>548.453</td><td>3.54e-01 g/l</td><td>1.28</td><td>-3.19</td><td>InChI=1S/C25H24O14/c1-35-16-4-10(2-3-12(16)26)15-7-14(28)21-13(27)5-11(6-17(21)38-15)37-25-24(34)23(33)22(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,22-27,32-34H,8-9H2,1H3,(H,29,30)/t18-,22-,23+,24-,25-/m1/s1</td><td>COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O</td><td>-3.6491030254425296</td><td>3.3729988650430327</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000874">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="875"><td></td><td><a href="/entries/PHUB000875">Chrysoeriol 7-O-apiosyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000875</td><td>875</td><td>594.158470266</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[β-D-Apiofuranosyl-(1â2)-β-D-glucopyranoside]; Chrysoeriol-7-O-[β-D-Apiofuranosyl-(1â2)-β-D-glucopyranoside; Graveobioside B</td><td class="structure"><img data-src="/structures/PHUB000875/image.svg" src="" /></td><td>GYQQQCVFOLKXGH-FSAPOUEDSA-N</td><td>33579-63-4</td><td>7-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one</td><td>594.522</td><td>1.23e+00 g/l</td><td>0.02</td><td>-2.68</td><td>InChI=1S/C27H30O15/c1-37-17-4-11(2-3-13(17)30)16-7-15(32)20-14(31)5-12(6-18(20)40-16)39-25-23(22(34)21(33)19(8-28)41-25)42-26-24(35)27(36,9-29)10-38-26/h2-7,19,21-26,28-31,33-36H,8-10H2,1H3/t19-,21-,22+,23-,24+,25-,26+,27?/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OCC(O)(CO)[C@H]3O)C=C2O1</td><td>-2.981092569339453</td><td>7.308544384260717</td><td><a href="/food_sources/367">Celery leaves</a> / <a href="/food_sources/29">Celery stalks</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000875">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="876"><td></td><td><a href="/entries/PHUB000876">Chrysoeriol 7-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000876</td><td>876</td><td>462.116211528</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000876/image.svg" src="" /></td><td>GAMYVSCDDLXAQW-MIUGBVLSSA-N</td><td></td><td>5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>462.407</td><td>7.08e-01 g/l</td><td>0.63</td><td>-2.82</td><td>InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1</td><td>-2.981092343758667</td><td>7.308568513898867</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000876">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="877"><td></td><td><a href="/entries/PHUB000877">Cirsilineol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000877</td><td>877</td><td>344.089602855</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,4'-Dihydroxy-6,7,3'-trimethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000877/image.svg" src="" /></td><td>VKOSQMWSWLZQPA-UHFFFAOYSA-N</td><td></td><td></td><td>344.319</td><td></td><td></td><td></td><td>InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3</td><td>COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C(OC)=C(OC)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000877">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="878"><td></td><td><a href="/entries/PHUB000878">Cirsiliol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000878</td><td>878</td><td>330.073952791</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000878/image.svg" src="" /></td><td>IMEYGBIXGJLUIS-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one</td><td>330.292</td><td>6.15e-02 g/l</td><td>3.05</td><td>-3.73</td><td>InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3</td><td>COC1=CC2=C(C(=O)C=C(O2)C2=CC(O)=C(O)C=C2)C(O)=C1OC</td><td>-4.566035110750861</td><td>7.868278671446154</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000878">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="879"><td></td><td><a href="/entries/PHUB000879">Cirsimaritin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000879</td><td>879</td><td>314.079038171</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,4'-Dihydroxy-6,7-dimethoxyflavone; 6,7-Dimethylscutellarein; Skrofullein</td><td class="structure"><img data-src="/structures/PHUB000879/image.svg" src="" /></td><td>ZIIAJIWLQUVGHB-UHFFFAOYSA-N</td><td></td><td>5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one</td><td>314.293</td><td>4.18e-02 g/l</td><td>3.21</td><td>-3.88</td><td>InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3</td><td>COC1=C(OC)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C=C1</td><td>-4.565848756599379</td><td>7.871312358806117</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000879">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="880"><td></td><td><a href="/entries/PHUB000880">Diosmetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000880</td><td>880</td><td>300.063388106</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Luteolin 4'-methyl ether</td><td class="structure"><img data-src="/structures/PHUB000880/image.svg" src="" /></td><td>MBNGWHIJMBWFHU-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one</td><td>300.266</td><td>7.54e-02 g/l</td><td>3.06</td><td>-3.60</td><td>InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3</td><td>COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O</td><td>-4.774841182688161</td><td>6.577279820841693</td><td></td><td><a href="/entries/PHUB003029">Diosmetin 3'-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000880">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="881"><td></td><td><a href="/entries/PHUB000881">Diosmin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000881</td><td>881</td><td>608.17412033</td><td>C<sub>28</sub>H<sub>32</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Diosmetin 7-O-rutinoside</td><td class="structure"><img data-src="/structures/PHUB000881/image.svg" src="" /></td><td>GZSOSUNBTXMUFQ-YFAPSIMESA-N</td><td></td><td>5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>608.549</td><td>1.54e+00 g/l</td><td>0.08</td><td>-2.60</td><td>InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1</td><td>COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1</td><td>-3.612182351683661</td><td>7.311649827960178</td><td></td><td><a href="/entries/PHUB000880">Diosmetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000881">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="882"><td></td><td><a href="/entries/PHUB000882">Eupatilin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000882</td><td>882</td><td>344.089602855</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Luteolin 4'-methyl ether</td><td class="structure"><img data-src="/structures/PHUB000882/image.svg" src="" /></td><td>DRRWBCNQOKKKOL-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one</td><td>344.319</td><td>4.22e-02 g/l</td><td>2.89</td><td>-3.91</td><td>InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3</td><td>COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2O</td><td>-4.390903718177722</td><td>7.101252707592202</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000882">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="883"><td></td><td><a href="/entries/PHUB000883">Eupatorin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000883</td><td>883</td><td>344.089602855</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,3'-Dihydroxy-6,7,4'-trimethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000883/image.svg" src="" /></td><td>KLAOKWJLUQKWIF-UHFFFAOYSA-N</td><td></td><td>5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one</td><td>344.319</td><td>4.47e-02 g/l</td><td>2.95</td><td>-3.89</td><td>InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3</td><td>COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C(OC)=C(OC)C=C2O1</td><td>-4.4000051265448645</td><td>7.9264359186126425</td><td></td><td><a href="/entries/PHUB000883">Eupatorin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000883">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="884"><td></td><td><a href="/entries/PHUB000884">Gardenin B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000884</td><td>884</td><td>358.10525292</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-Hydroxy-6,7,8,4'-tetramethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000884/image.svg" src="" /></td><td>LXEVSYZNYDZSOB-UHFFFAOYSA-N</td><td></td><td>5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one</td><td>358.346</td><td>2.30e-02 g/l</td><td>3.07</td><td>-4.19</td><td>InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3</td><td>COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2O</td><td>-4.300473967674063</td><td>8.46439946309098</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000884">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="885"><td></td><td><a href="/entries/PHUB000885">Geraldone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000885</td><td>885</td><td>284.068473486</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7,4'-Dihydroxy-3'-methoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000885/image.svg" src="" /></td><td>OUMMPAFEQHTYIZ-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one</td><td>284.267</td><td>5.38e-02 g/l</td><td>3.37</td><td>-3.72</td><td>InChI=1S/C16H12O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-8,17-18H,1H3</td><td>COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2</td><td>-4.771655119483574</td><td>6.505062139708078</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000885">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="886"><td></td><td><a href="/entries/PHUB000886">Hispidulin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000886</td><td>886</td><td>300.063388106</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>5,7,4'-Trihydroxy-6-methoxyflavone; 6-Methoxyapigenin; 6-Methylscutellarein</td><td class="structure"><img data-src="/structures/PHUB000886/image.svg" src="" /></td><td>IHFBPDAQLQOCBX-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one</td><td>300.266</td><td>7.91e-02 g/l</td><td>3.09</td><td>-3.58</td><td>InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3</td><td>COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O</td><td>-4.811140617550587</td><td>7.091060147517393</td><td><a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/368">Mexican origano</a> / <a href="/food_sources/134">Rosemary</a></td><td><a href="/entries/PHUB000886">Hispidulin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000886">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="887"><td></td><td><a href="/entries/PHUB000887">Isoorientin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000887</td><td>887</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Homoorientin; Luteolin 6-C-glucoside</td><td class="structure"><img data-src="/structures/PHUB000887/image.svg" src="" /></td><td>ODBRNZZJSYPIDI-VJXVFPJBSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one</td><td>448.38</td><td>2.04e+00 g/l</td><td>0.39</td><td>-2.34</td><td>InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1</td><td>[H][C@]1(CO)O[C@@]([H])(C2=C(O)C3=C(OC(=CC3=O)C3=CC(O)=C(O)C=C3)C=C2O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-2.979192626943843</td><td>6.13760442806852</td><td><a href="/food_sources/133">Rooibos tea</a></td><td><a href="/entries/PHUB000887">Isoorientin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000887">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="889"><td></td><td><a href="/entries/PHUB000889">Isovitexin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000889</td><td>889</td><td>432.105646844</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Apigenin 6-C-glucoside</td><td class="structure"><img data-src="/structures/PHUB000889/image.svg" src="" /></td><td>GLAAQZFBFGEBPS-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one</td><td>432.381</td><td>1.73e+00 g/l</td><td>0.37</td><td>-2.40</td><td>InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1</td><td>-2.979192626943843</td><td>6.137696568728923</td><td></td><td><a href="/entries/PHUB000889">Isovitexin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000889">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="890"><td></td><td><a href="/entries/PHUB000890">Jaceosidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000890</td><td>890</td><td>330.073952791</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,7,4'-Trihydroxy-6,3'-dimethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000890/image.svg" src="" /></td><td>GLAAQZFBFGEBPS-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one</td><td>330.292</td><td>6.28e-02 g/l</td><td>3.05</td><td>-3.72</td><td>InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3</td><td>COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2O</td><td>-4.55108091463019</td><td>7.097806054649312</td><td></td><td><a href="/entries/PHUB000890">Jaceosidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000890">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="891"><td></td><td><a href="/entries/PHUB000891">Lucenin-2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000891</td><td>891</td><td>610.153384886</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Luteolin 6,8-di-C-glucoside</td><td class="structure"><img data-src="/structures/PHUB000891/image.svg" src="" /></td><td>IQPNAANSBPBGFQ-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one</td><td>610.521</td><td>1.14e+01 g/l</td><td>-0.97</td><td>-1.73</td><td>InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C(O)=C2)C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O</td><td>-3.6491264777456363</td><td>5.737438763745491</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000891">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="892"><td></td><td><a href="/entries/PHUB000892">Luteolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000892</td><td>892</td><td>286.047738042</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; 3',4',5,7-Tetrahydroxyflavone; 5,7,3',4'-Tetrahydroxyflavone; digitoflavone; Luteolol</td><td class="structure"><img data-src="/structures/PHUB000892/image.svg" src="" /></td><td>IQPNAANSBPBGFQ-UHFFFAOYSA-N</td><td>491-70-3</td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one</td><td>286.239</td><td>1.38e-01 g/l</td><td>2.73</td><td>-3.32</td><td>InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H</td><td>OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1</td><td>-5.38235824096273</td><td>6.574503414493813</td><td><a href="/food_sources/6">Angelica</a> / <a href="/food_sources/7">Apple</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/85">Kiwi</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/116">Peppermint</a> / <a href="/food_sources/428">Radicchio</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB000871">Chrysoeriol</a> / <a href="/entries/PHUB000892">Luteolin</a> / <a href="/entries/PHUB000897">Luteolin 7-O-glucuronide</a> / <a href="/entries/PHUB002982">Luteolin-4-glucuronide</a> / <a href="/entries/PHUB002983">Luteolin-3-glucuronide</a> / <a href="/entries/PHUB002984">3'-O-methyl-luteolin-7-O-Glucuronide</a> / <a href="/entries/PHUB002985">4'-O-methyl-luteolin-3'-O-b-D-Glucuronide</a> / <a href="/entries/PHUB002986">4'-O-methyl-luteolin-7-O-Glucuronide</a> / <a href="/entries/PHUB002987">Luteolin-3'-O-Sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000892">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="893"><td></td><td><a href="/entries/PHUB000893">Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000893</td><td>893</td><td>666.143214126</td><td>C<sub>29</sub>H<sub>30</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000893/image.svg" src="" /></td><td>YSXNEFJASLJGTK-YRCFQSNFSA-N</td><td></td><td>3-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid</td><td>666.541</td><td>1.04e+00 g/l</td><td>0.51</td><td>-2.81</td><td>InChI=1S/C29H30O18/c30-9-29(41)10-43-28(26(29)40)47-25-24(39)23(38)19(8-42-21(37)7-20(35)36)46-27(25)44-12-4-15(33)22-16(34)6-17(45-18(22)5-12)11-1-2-13(31)14(32)3-11/h1-6,19,23-28,30-33,38-41H,7-10H2,(H,35,36)/t19-,23-,24+,25-,26+,27-,28+,29-/m1/s1</td><td>OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C(O)=C2)[C@@H]1O</td><td>-3.6493998792677895</td><td>3.3729970372132363</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000893">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="894"><td></td><td><a href="/entries/PHUB000894">Luteolin 7-O-(2-apiosyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000894</td><td>894</td><td>580.142820202</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Graveobioside A.; Luteolin-7-O-[D-Apiofuranosyl-(1â2)-β-D-glucopyranoside]</td><td class="structure"><img data-src="/structures/PHUB000894/image.svg" src="" /></td><td>SPWLSDULYCMRFB-VMEISIRMSA-N</td><td>63808-23-1</td><td>7-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one</td><td>580.495</td><td>1.77e+00 g/l</td><td>-0.17</td><td>-2.52</td><td>InChI=1S/C26H28O15/c27-7-18-20(33)21(34)22(41-25-23(35)26(36,8-28)9-37-25)24(40-18)38-11-4-14(31)19-15(32)6-16(39-17(19)5-11)10-1-2-12(29)13(30)3-10/h1-6,18,20-25,27-31,33-36H,7-9H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC(O)=C(O)C=C2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O</td><td>-3.142379140564365</td><td>7.296778229262129</td><td><a href="/food_sources/367">Celery leaves</a> / <a href="/food_sources/29">Celery stalks</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000894">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="895"><td></td><td><a href="/entries/PHUB000895">Luteolin 7-O-diglucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000895</td><td>895</td><td>638.111913997</td><td>C<sub>27</sub>H<sub>26</sub>O<sub>18</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000895/image.svg" src="" /></td><td>PEFNSGRTCBGNAN-QNDFHXLGSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-[(2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>638.487</td><td>4.26e+00 g/l</td><td>0.47</td><td>-2.18</td><td>InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-26-20(36)1
87(33)19(35)23(44-26)25(40)45-27-21(37)16(32)18(34)22(43-27)24(38)39/h1-6,16-23,26-30,32-37H,(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27-/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC(=O)[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.7322216407176225</td><td>2.9960583712956907</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000895">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="896"><td></td><td><a href="/entries/PHUB000896">Luteolin 7-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000896</td><td>896</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside; 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; Cynaroside; Glucoluteolin; Luteolin 7-O-glucopyranoside; Luteoloside</td><td class="structure"><img data-src="/structures/PHUB000896/image.svg" src="" /></td><td>VSUOKLTVXQRUSG-ZFORQUDYSA-N</td><td>5373-11-5</td><td>2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>448.38</td><td>1.08e+00 g/l</td><td>0.58</td><td>-2.62</td><td>InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092343758667</td><td>7.296801691468749</td><td><a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000896">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="897"><td></td><td><a href="/entries/PHUB000897">Luteolin 7-O-glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000897</td><td>897</td><td>462.07982602</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000897/image.svg" src="" /></td><td>VSUOKLTVXQRUSG-ZFORQUDYSA-N</td><td>29741-10-4</td><td>(2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>462.363</td><td>1.38e+00 g/l</td><td>1.22</td><td>-2.52</td><td>InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1</td><td>[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.6868267780685726</td><td>2.7391979384789336</td><td><a href="/food_sources/89">Lettuce</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000897">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="898"><td></td><td><a href="/entries/PHUB000898">Luteolin 7-O-malonyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000898</td><td>898</td><td>534.100955388</td><td>C<sub>24</sub>H<sub>22</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000898/image.svg" src="" /></td><td>MGYBYJXAXUBTQF-FOBVWLSUSA-N</td><td></td><td>3-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid</td><td>534.426</td><td>6.41e-01 g/l</td><td>1.26</td><td>-2.92</td><td>InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1</td><td>O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C(O)=C2)[C@@H]1O</td><td>-3.6491030254425296</td><td>3.372997481735943</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000898">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="899"><td></td><td><a href="/entries/PHUB000899">Luteolin 7-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000899</td><td>899</td><td>594.158470266</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosid; 3',4',5,7-Tetrahydroxyflavone; 7-O-[α-L-Rhamnopyranosyl-(1â6)-β-D-glucopyranoside]; 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydrox; luteolin 7-O-neohesperidoside; Luteolin-7-O-rhamnoside; Luteoline-7-rhamnoglucoside; Scolymoside</td><td class="structure"><img data-src="/structures/PHUB000899/image.svg" src="" /></td><td>FHHSEFRSDKWJKJ-UHFFFAOYSA-N</td><td>25694-72-8</td><td>2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>594.522</td><td>2.07e+00 g/l</td><td>0.01</td><td>-2.46</td><td>InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6486859942971344</td><td>7.296797205563374</td><td><a href="/food_sources/219">Globe artichoke</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000899">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="900"><td></td><td><a href="/entries/PHUB000900">Nepetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000900</td><td>900</td><td>316.058302726</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,7,3',4'-Tetrahydroxy-6-methoxyflavone; 6-Methoxyluteolin</td><td class="structure"><img data-src="/structures/PHUB000900/image.svg" src="" /></td><td>FHHSEFRSDKWJKJ-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one</td><td>316.265</td><td>1.17e-01 g/l</td><td>2.75</td><td>-3.43</td><td>InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3</td><td>COC1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O</td><td>-4.811468577943619</td><td>7.090526422135832</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000900">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="901"><td></td><td><a href="/entries/PHUB000901">Nobiletin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000901</td><td>901</td><td>402.131467668</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,6,7,8,3',4'-Hexamethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000901/image.svg" src="" /></td><td>MRIAQLRQZPPODS-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one</td><td>402.399</td><td>9.20e-03 g/l</td><td>2.62</td><td>-4.64</td><td>InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3</td><td>COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC</td><td>-4.1447983525246785</td><td></td><td></td><td><a href="/entries/PHUB000901">Nobiletin</a> / <a href="/entries/PHUB002988">5'-Demethylnobiletin</a> / <a href="/entries/PHUB002989">3'-Demethylnobiletin</a> / <a href="/entries/PHUB002990">4'-Demethylnobiletin</a> / <a href="/entries/PHUB002991">3â²,4â²-didemethylnobiletin</a> / <a href="/entries/PHUB002992">4â²,5â²-didemethylnobiletin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000901">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="902"><td></td><td><a href="/entries/PHUB000902">Pebrellin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000902</td><td>902</td><td>374.10016754</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,6-Dihydroxy-7,8,3',4'-tetramethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000902/image.svg" src="" /></td><td>AREVFHPDZQHBHI-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7,8-dimethoxy-4H-chromen-4-one</td><td>374.345</td><td>4.80e-02 g/l</td><td>2.63</td><td>-3.89</td><td>InChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)16(22)18(25-3)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3</td><td>COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(O)=C2O</td><td>-4.3027706073531045</td><td>8.114959121453861</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000902">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="903"><td></td><td><a href="/entries/PHUB000903">Rhoifolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000903</td><td>903</td><td>578.163555646</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Apigenin 7-O-neohesperidoside</td><td class="structure"><img data-src="/structures/PHUB000903/image.svg" src="" /></td><td>PTKZEWKSNFRXLZ-UHFFFAOYSA-N</td><td></td><td>7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>578.523</td><td>2.55e+00 g/l</td><td>-0.00</td><td>-2.36</td><td>InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-2.9810925693394505</td><td>7.2976229448889365</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000903">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="904"><td></td><td><a href="/entries/PHUB000904">Rhoifolin 4'-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000904</td><td>904</td><td>740.216379068</td><td>C<sub>33</sub>H<sub>40</sub>O<sub>19</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Apigenin 7-O-neohesperidoside 4'-glucoside</td><td class="structure"><img data-src="/structures/PHUB000904/image.svg" src="" /></td><td>JVXZRQGOGOXCEC-UHFFFAOYSA-N</td><td></td><td>7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one</td><td>740.664</td><td>4.04e+00 g/l</td><td>-0.57</td><td>-2.26</td><td>InChI=1S/C33H40O19/c1-11-22(38)25(41)28(44)31(46-11)52-30-27(43)24(40)20(10-35)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(5-3-12)47-32-29(45)26(42)23(39)19(9-34)50-32/h2-8,11,19-20,22-36,38-45H,9-10H2,1H3</td><td>CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O</td><td>-3.648395345629195</td><td>7.314196448026846</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000904">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="905"><td></td><td><a href="/entries/PHUB000905">Scutellarein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000905</td><td>905</td><td>286.047738042</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,6,7,4'-Tetrahydroxyflavone; 6-Hydroxyapigenin</td><td class="structure"><img data-src="/structures/PHUB000905/image.svg" src="" /></td><td>JVXZRQGOGOXCEC-UHFFFAOYSA-N</td><td></td><td>5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>286.239</td><td>1.56e-01 g/l</td><td>2.74</td><td>-3.26</td><td>InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H</td><td>OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(O)=C2O</td><td>-5.366519016967321</td><td>6.750400043365413</td><td></td><td><a href="/entries/PHUB000905">Scutellarein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000905">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="906"><td></td><td><a href="/entries/PHUB000906">Sinensetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000906</td><td>906</td><td>372.120902984</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,6,7,3',4'-Pentamethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000906/image.svg" src="" /></td><td>LKMNXYDUQXAUCZ-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one</td><td>372.373</td><td>8.48e-03 g/l</td><td>2.98</td><td>-4.64</td><td>InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3</td><td>COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1</td><td>-4.1999661548486955</td><td></td><td></td><td><a href="/entries/PHUB000906">Sinensetin</a> / <a href="/entries/PHUB002994">5,3â²-didemethylsinensetin</a> / <a href="/entries/PHUB002995">5,4â²-didemethylsinensetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000906">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="907"><td></td><td><a href="/entries/PHUB000907">Tangeretin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000907</td><td>907</td><td>372.120902984</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,6,7,8,4'-Pentamethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000907/image.svg" src="" /></td><td>ULSUXBXHSYSGDT-UHFFFAOYSA-N</td><td></td><td>5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one</td><td>372.373</td><td>9.30e-03 g/l</td><td>2.88</td><td>-4.60</td><td>InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3</td><td>COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1</td><td>-4.213504789736568</td><td></td><td></td><td><a href="/entries/PHUB000907">Tangeretin</a> / <a href="/entries/PHUB002996">4 '-Demethyltangeretin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000907">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="908"><td></td><td><a href="/entries/PHUB000908">Tetramethylscutellarein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000908</td><td>908</td><td>342.1103383</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,6,7,4'-Tetramethoxyflavone</td><td class="structure"><img data-src="/structures/PHUB000908/image.svg" src="" /></td><td>URSUMOWUGDXZHU-UHFFFAOYSA-N</td><td></td><td>5,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one</td><td>342.347</td><td>1.05e-02 g/l</td><td>3.17</td><td>-4.51</td><td>InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3</td><td>COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1</td><td>-4.278862093058317</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000908">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="909"><td></td><td><a href="/entries/PHUB000909">Thymonin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000909</td><td>909</td><td>360.084517475</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000909/image.svg" src="" /></td><td>QZBUZNZTCQCSJK-UHFFFAOYSA-N</td><td></td><td>5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7,8-dimethoxy-4H-chromen-4-one</td><td>360.318</td><td>8.20e-02 g/l</td><td>2.71</td><td>-3.64</td><td>InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)12-7-10(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-12/h4-7,19,21-22H,1-3H3</td><td>COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C(O)=C(OC)C(OC)=C2O1</td><td>-4.4290993791559385</td><td>8.099201110996193</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000909">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="910"><td></td><td><a href="/entries/PHUB000910">Tricin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000910</td><td>910</td><td>330.073952791</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Tricetin 3',5'-dimethyl ether</td><td class="structure"><img data-src="/structures/PHUB000910/image.svg" src="" /></td><td>HRGUSFBJBOKSML-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one</td><td>330.292</td><td>5.96e-02 g/l</td><td>3.05</td><td>-3.74</td><td>InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3</td><td>COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1</td><td>-4.540443684853466</td><td>6.5738458974424345</td><td></td><td><a href="/entries/PHUB000910">Tricin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000910">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="911"><td></td><td><a href="/entries/PHUB000911">Vicenin 2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000911</td><td>911</td><td>594.158470266</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Apigenin 6,8-di-C-glucoside</td><td class="structure"><img data-src="/structures/PHUB000911/image.svg" src="" /></td><td>FIAAVMJLAGNUKW-VQVVXJKKSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one</td><td>594.522</td><td>9.88e+00 g/l</td><td>-0.97</td><td>-1.78</td><td>InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1</td><td>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=C(O)C(=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1)[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.644730897621573</td><td>5.737497455154958</td><td><a href="/food_sources/103">Orange juice</a></td><td><a href="/entries/PHUB000911">Vicenin 2</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000911">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="912"><td></td><td><a href="/entries/PHUB000912">Vitexin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000912</td><td>912</td><td>432.105646844</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Apigenin 8-C-glucoside</td><td class="structure"><img data-src="/structures/PHUB000912/image.svg" src="" /></td><td>CWHSNVYWYFOEQJ-XOOUWMDMSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one</td><td>432.381</td><td>1.73e+00 g/l</td><td>0.36</td><td>-2.40</td><td>InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1</td><td>-2.9791926292654134</td><td>6.172757071352738</td><td></td><td><a href="/entries/PHUB000912">Vitexin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000912">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="913"><td></td><td><a href="/entries/PHUB000913">Cafestol (2-hydroxy-, 3,4-epoxide, glutathione conjugate)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000913</td><td>913</td><td>655.277480455</td><td>C<sub>30</sub>H<sub>45</sub>N<sub>3</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000913/image.svg" src="" /></td><td>CWHSNVYWYFOEQJ-XOOUWMDMSA-N</td><td></td><td>2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-{[(1S,12S,17R)-6,10,17-trihydroxy-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-5(9)-en-7-yl]sulfanyl}ethyl}carbamoyl)butanoic acid</td><td>655.76</td><td>4.18e-01 g/l</td><td>-3.08</td><td>-3.20</td><td>InChI=1S/C30H45N3O11S/c1-28-9-18(35)24-22(15(28)6-7-29-8-14(2-4-19(28)29)30(43,12-29)13-34)23(39)27(44-24)45-11-17(25(40)32-10-21(37)38)33-20(36)5-3-16(31)26(41)42/h14-19,23,27,34-35,39,43H,2-13,31H2,1H3,(H,32,40)(H,33,36)(H,37,38)(H,41,42)/t14?,15?,16?,17?,18?,19?,23?,27?,28-,29+,30+/m1/s1</td><td>C[C@@]12CC(O)C3=C(C(O)C(O3)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C1CC[C@@]13CC(CCC21)[C@@](O)(CO)C3</td><td>9.311345895281136</td><td>1.781959152250963</td><td></td><td><a href="/entries/PHUB000006">Cafestol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000913">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="914"><td></td><td><a href="/entries/PHUB000914">Cafestol (2-hydroxy-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000914</td><td>914</td><td>332.198759382</td><td>C<sub>20</sub>H<sub>28</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000914/image.svg" src="" /></td><td>XKTUWCSUXHKDDV-BMCYQSCNSA-N</td><td></td><td></td><td>332.44</td><td>7.28e-02 g/l</td><td>1.87</td><td>-3.66</td><td>InChI=1S/C20H28O4/c1-18-9-15(22)17-13(5-7-24-17)14(18)4-6-19-8-12(2-3-16(18)19)20(23,10-19)11-21/h5,7,12,14-16,21-23H,2-4,6,8-11H2,1H3/t12?,14?,15?,16?,18-,19+,20+/m1/s1</td><td>C[C@@]12CC(O)C3=C(C=CO3)C1CC[C@@]13C[C@H](CCC21)[C@@](O)(CO)C3</td><td></td><td></td><td></td><td><a href="/entries/PHUB000006">Cafestol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000914">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="915"><td></td><td><a href="/entries/PHUB000915">Cafestol (2-hydroxy-,3,4-epoxide)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000915</td><td>915</td><td>348.193674002</td><td>C<sub>20</sub>H<sub>28</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000915/image.svg" src="" /></td><td>HTBXMMAMMYSHPY-UTHCWJHUSA-N</td><td></td><td>(1S,13S,17R,18R)-18-(hydroxymethyl)-13-methyl-7,9-dioxahexacyclo[15.2.1.0^{1,14}.0^{4,13}.0^{5,10}.0^{6,8}]icos-5(10)-ene-11,18-diol</td><td>348.439</td><td>3.31e-01 g/l</td><td>0.59</td><td>-3.02</td><td>InChI=1S/C20H28O5/c1-18-7-12(22)15-14(16-17(24-15)25-16)11(18)4-5-19-6-10(2-3-13(18)19)20(23,8-19)9-21/h10-13,16-17,21-23H,2-9H2,1H3/t10?,11?,12?,13?,16?,17?,18-,19+,20+/m1/s1</td><td>C[C@@]12CC(O)C3=C(C4OC4O3)C1CC[C@@]13C[C@@H](CCC21)[C@@](O)(CO)C3</td><td>-3.075750749555005</td><td>13.469958411618176</td><td></td><td><a href="/entries/PHUB000006">Cafestol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000915">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="916"><td></td><td><a href="/entries/PHUB000916">Cafestol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000916</td><td>916</td><td>492.5678392</td><td>C<sub>26</sub>H<sub>36</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane</td><td class="structure"><img data-src="/structures/PHUB000916/image.svg" src="" /></td><td></td><td></td><td></td><td>492.235935</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000006">Cafestol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000916">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="917"><td></td><td><a href="/entries/PHUB000917">Cafestol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000917</td><td>917</td><td>396.5042844</td><td>C<sub>20</sub>H<sub>28</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000917/image.svg" src="" /></td><td></td><td></td><td></td><td>396.160662</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000006">Cafestol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000917">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="918"><td></td><td><a href="/entries/PHUB000918">Kahweol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000918</td><td>918</td><td>490.5518874</td><td>C<sub>26</sub>H<sub>34</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000918/image.svg" src="" /></td><td></td><td></td><td></td><td>490.220285</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000010">Kahweol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000918">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="919"><td></td><td><a href="/entries/PHUB000919">Kahweol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000919</td><td>919</td><td>394.4883325</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000919/image.svg" src="" /></td><td></td><td></td><td></td><td>394.145012</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000010">Kahweol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000919">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="920"><td></td><td><a href="/entries/PHUB000920">Phytanic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000920</td><td>920</td><td>312.302830528</td><td>C<sub>20</sub>H<sub>40</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Phytanoic acid</td><td class="structure"><img data-src="/structures/PHUB000920/image.svg" src="" /></td><td>RLCKHJSFHOZMDR-PWCSWUJKSA-N</td><td></td><td>(7R,11R)-3,7,11,15-tetramethylhexadecanoic acid</td><td>312.538</td><td>8.17e-05 g/l</td><td>7.28</td><td>-6.58</td><td>InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19?/m1/s1</td><td>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CC(O)=O</td><td></td><td>5.040832283720321</td><td></td><td><a href="/entries/PHUB000197">Phytol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000920">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="921"><td></td><td><a href="/entries/PHUB000921">Phytenic acid (trans-delta 2-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000921</td><td>921</td><td>310.287180464</td><td>C<sub>20</sub>H<sub>38</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000921/image.svg" src="" /></td><td>WDWBNNBRPVEEOD-PFXVRADUSA-N</td><td></td><td>(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid</td><td>310.522</td><td>1.22e-04 g/l</td><td>7.12</td><td>-6.41</td><td>InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15+/t17-,18-/m1/s1</td><td>[H]\C(C(O)=O)=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</td><td></td><td>4.9257655252897425</td><td></td><td><a href="/entries/PHUB000197">Phytol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000921">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="922"><td></td><td><a href="/entries/PHUB000922">Phytenic acid (cis-delta 2-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000922</td><td>922</td><td>310.287180464</td><td>C<sub>20</sub>H<sub>38</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000922/image.svg" src="" /></td><td>WDWBNNBRPVEEOD-UMSXXIAASA-N</td><td></td><td>(2Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid</td><td>310.522</td><td>1.22e-04 g/l</td><td>
87.12</td><td>-6.41</td><td>InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15-/t17-,18-/m1/s1</td><td>[H]\C(C(O)=O)=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</td><td></td><td>4.9257655252897425</td><td></td><td><a href="/entries/PHUB000197">Phytol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000922">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="923"><td></td><td><a href="/entries/PHUB000923">Phytenic acid (trans-delta 3-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000923</td><td>923</td><td>310.287180464</td><td>C<sub>20</sub>H<sub>38</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000923/image.svg" src="" /></td><td>GGJDCSATCZWAPI-IWBCJCCCSA-N</td><td></td><td>(3E,7R,11R)-3,7,11,15-tetramethylhexadec-3-enoic acid</td><td>310.522</td><td>1.18e-04 g/l</td><td>7.18</td><td>-6.42</td><td>InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h14,16-18H,6-13,15H2,1-5H3,(H,21,22)/b19-14+/t17-,18-/m1/s1</td><td>[H]\C(CC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(\C)CC(O)=O</td><td></td><td>4.926738813307439</td><td></td><td><a href="/entries/PHUB000197">Phytol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000923">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="924"><td></td><td><a href="/entries/PHUB000924">Phytenic acid (cis-delta 3-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000924</td><td>924</td><td>310.287180464</td><td>C<sub>20</sub>H<sub>38</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000924/image.svg" src="" /></td><td>GGJDCSATCZWAPI-UEJLOKKHSA-N</td><td></td><td>(3Z,7R,11R)-3,7,11,15-tetramethylhexadec-3-enoic acid</td><td>310.522</td><td>1.18e-04 g/l</td><td>7.18</td><td>-6.42</td><td>InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h14,16-18H,6-13,15H2,1-5H3,(H,21,22)/b19-14-/t17-,18-/m1/s1</td><td>[H]\C(CC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(/C)CC(O)=O</td><td></td><td>4.926738813307439</td><td></td><td><a href="/entries/PHUB000197">Phytol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000924">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="925"><td></td><td><a href="/entries/PHUB000925">Phytenic acid (3-methylene)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000925</td><td>925</td><td>310.287180464</td><td>C<sub>20</sub>H<sub>38</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000925/image.svg" src="" /></td><td>QNHDJVMLIZENIR-QZTJIDSGSA-N</td><td></td><td>
8(7R,11R)-7,11,15-trimethyl-3-methylidenehexadecanoic acid</td><td>310.522</td><td>3.19e-04 g/l</td><td>6.88</td><td>-5.99</td><td>InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-18H,5-15H2,1-4H3,(H,21,22)/t17-,18-/m1/s1</td><td>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(=C)CC(O)=O</td><td></td><td>4.9267310764483065</td><td></td><td><a href="/entries/PHUB000197">Phytol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000925">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="926"><td></td><td><a href="/entries/PHUB000926">Hydroxyphytanic acid (alpha-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000926</td><td>926</td><td>328.297745148</td><td>C<sub>20</sub>H<sub>40</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000926/image.svg" src="" /></td><td>CGKMKXBKVBXUGK-YYZRRKBYSA-N</td><td></td><td>(7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid</td><td>328.537</td><td>7.90e-04 g/l</td><td>6.31</td><td>-5.62</td><td>InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/t16-,17-,18?,19?/m1/s1</td><td>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C(O)C(O)=O</td><td>-3.8960027870429257</td><td>4.370703115872592</td><td></td><td><a href="/entries/PHUB000197">Phytol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000926">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="927"><td></td><td><a href="/entries/PHUB000927">Pristanic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000927</td><td>927</td><td>298.287180464</td><td>C<sub>19</sub>H<sub>38</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000927/image.svg" src="" /></td><td>XLKXIWMHACWINL-ILDWOOSOSA-N</td><td></td><td>2,6,10,14-tetramethylpentadecanoic acid</td><td>298.511</td><td>1.36e-04 g/l</td><td>6.90</td><td>-6.34</td><td>InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)</td><td>CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O</td><td></td><td>4.999793865317857</td><td></td><td><a href="/entries/PHUB000197">Phytol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000927">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="928"><td></td><td><a href="/entries/PHUB000928">14-Hydroxycaryophyllene-5,6-oxide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000928</td><td>928</td><td>236.177630013</td><td>C<sub>15</sub>H<sub>24</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000928/image.svg" src="" /></td><td>XLKXIWMHACWINL-ILDWOOSOSA-N</td><td></td><td>
8[(1R,10S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-12-yl]methanol</td><td>236.355</td><td>9.23e-02 g/l</td><td>2.30</td><td>-3.41</td><td>InChI=1S/C15H24O2/c1-10-4-5-13-15(3,17-13)7-6-12-11(10)8-14(12,2)9-16/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13?,14?,15?/m1/s1</td><td>[H][C@]12CC(C)(CO)[C@]1([H])CCC1(C)OC1CCC2=C</td><td>-1.4131978016769473</td><td>18.16628022543005</td><td></td><td><a href="/entries/PHUB000111">Caryophyllen-beta</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000928">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="929"><td></td><td><a href="/entries/PHUB000929">Caryophyllene-5,6-oxide-2,12-glycol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000929</td><td>929</td><td>254.188194697</td><td>C<sub>15</sub>H<sub>26</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000929/image.svg" src="" /></td><td>OHDVDXBNIVPOOL-OIPGIEPVSA-N</td><td></td><td>(1R,10S)-9-(hydroxymethyl)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-9-ol</td><td>254.37</td><td>6.79e-01 g/l</td><td>1.49</td><td>-2.57</td><td>InChI=1S/C15H26O3/c1-13(2)8-11-10(13)4-6-14(3)12(18-14)5-7-15(11,17)9-16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12?,14?,15?/m1/s1</td><td>[H][C@]12CC(C)(C)[C@]1([H])CCC1(C)OC1CCC2(O)CO</td><td>-3.075601029783077</td><td>13.688803396051544</td><td></td><td><a href="/entries/PHUB000111">Caryophyllen-beta</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000929">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="930"><td></td><td><a href="/entries/PHUB000930">Nootkatone-13,14-diol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000930</td><td>930</td><td>252.172544633</td><td>C<sub>15</sub>H<sub>24</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000930/image.svg" src="" /></td><td>LKZRUFUJHRFLEY-UHFFFAOYSA-N</td><td></td><td>6-(1,2-dihydroxypropan-2-yl)-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one</td><td>252.354</td><td>5.49e-01 g/l</td><td>1.58</td><td>-2.66</td><td>InChI=1S/C15H24O3/c1-10-6-13(17)7-11-4-5-12(8-14(10,11)2)15(3,18)9-16/h7,10,12,16,18H,4-6,8-9H2,1-3H3</td><td>CC1CC(=O)C=C2CCC(CC12C)C(C)(O)CO</td><td>-3.0715532782015496</td><td>13.871581391276777</td><td></td><td><a href="/entries/PHUB000141">Nootkatone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000930">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="933"><td></td><td><a href="/entries/PHUB000933">3,7-Dimethyl-2-octaen-1,8-dioic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000933</td><td>933</td><td>200.104858995</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000933/image.svg" src="" /></td><td>KWIQWVWDQRSGSQ-VMPITWQZSA-N</td><td></td><td>(2E)-3,7-dimethyloct-2-enedioic acid</td><td>200.234</td><td>1.24e+00 g/l</td><td>1.59</td><td>-2.21</td><td>InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h6,8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/b7-6+</td><td>CC(CCC\C(C)=C\C(O)=O)C(O)=O</td><td></td><td>4.203096818107816</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000933">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="934"><td></td><td><a href="/entries/PHUB000934">3,7-Dimethyl-6-octaen-1,8-dioic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000934</td><td>934</td><td>200.104858995</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000934/image.svg" src="" /></td><td>KSRDBWKRNKJWQI-OAMUUVBCSA-N</td><td></td><td>(2E)-2,6-dimethyloct-2-enedioic acid</td><td>200.234</td><td>9.81e-01 g/l</td><td>1.68</td><td>-2.31</td><td>InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h5,7H,3-4,6H2,1-2H3,(H,11,12)(H,13,14)/b8-5+</td><td>CC(CC\C=C(/C)C(O)=O)CC(O)=O</td><td></td><td>4.195046373749182</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000934">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="935"><td></td><td><a href="/entries/PHUB000935">3,7-Dimethyl-2,7-decadien-1,10-dioic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000935</td><td>935</td><td>226.12050906</td><td>C<sub>12</sub>H<sub>18</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000935/image.svg" src="" /></td><td>KSRDBWKRNKJWQI-OAMUUVBCSA-N</td><td></td><td>(2E,7E)-3,7-dimethyldeca-2,7-dienedioic acid</td><td>226.272</td><td>2.65e-01 g/l</td><td>1.98</td><td>-2.93</td><td>InChI=1S/C12H18O4/c1-9(6-7-11(13)14)4-3-5-10(2)8-12(15)16/h6,8H,3-5,7H2,1-2H3,(H,13,14)(H,15,16)/b9-6+,10-8+</td><td>C\C(CCC\C(C)=C\C(O)=O)=C/CC(O)=O</td><td></td><td>4.629140946820866</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000935">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="936"><td></td><td><a href="/entries/PHUB000936">3,7-Dimethyl-octan-1,8-dioic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000936</td><td>936</td><td>202.12050906</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000936/image.svg" src="" /></td><td>FNRNRFWWJJZSTN-RMKNXTFCSA-N</td><td></td><td>2,6-dimethyloctanedioic acid</td><td>202.25</td><td>1.50e+00 g/l</td><td>1.69</td><td>-2.13</td><td>InChI=1S/C10H18O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)</td><td>CC(CCCC(C)C(O)=O)CC(O)=O</td><td></td><td>4.290095199568978</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000936">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="937"><td></td><td><a href="/entries/PHUB000937">3,7-Dimethyl-7-decaen-1,10-dioic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000937</td><td>937</td><td>228.136159124</td><td>C<sub>12</sub>H<sub>20</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000937/image.svg" src="" /></td><td>GNEHABOQLSVVFN-YFVJMOTDSA-N</td><td></td><td>(3E)-4,8-dimethyldec-3-enedioic acid</td><td>228.288</td><td>4.44e-01 g/l</td><td>2.15</td><td>-2.71</td><td>InChI=1S/C12H20O4/c1-9(6-7-11(13)14)4-3-5-10(2)8-12(15)16/h6,10H,3-5,7-8H2,1-2H3,(H,13,14)(H,15,16)/b9-6+</td><td>CC(CCC\C(C)=C\CC(O)=O)CC(O)=O</td><td></td><td>4.714898923114915</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000937">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="938"><td></td><td><a href="/entries/PHUB000938">Farnesol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000938</td><td>938</td><td>398.230453435</td><td>C<sub>21</sub>H<sub>34</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Farnesyl glucuronide</td><td class="structure"><img data-src="/structures/PHUB000938/image.svg" src="" /></td><td>FLIKBVTXNBEPQQ-RDUMTQBOSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}oxane-2-carboxylic acid</td><td>398.496</td><td>2.86e-01 g/l</td><td>2.65</td><td>-3.14</td><td>InChI=1S/C21H34O7/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-27-21-18(24)16(22)17(23)19(28-21)20(25)26/h7,9,11,16-19,21-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b14-9+,15-11+</td><td>CC(C)=CCC\C(C)=C\CC\C(C)=C\COC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.686499906717</td><td>3.566985289521737</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000938">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="939"><td></td><td><a href="/entries/PHUB000939">12-Hydroxyfarnesol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000939</td><td>939</td><td>238.193280077</td><td>C<sub>15</sub>H<sub>26</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000939/image.svg" src="" /></td><td>FLIKBVTXNBEPQQ-RDUMTQBOSA-N</td><td></td><td>(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol</td><td>238.371</td><td>1.42e-01 g/l</td><td>3.52</td><td>-3.22</td><td>InChI=1S/C15H26O2/c1-13(7-5-9-15(3)12-17)6-4-8-14(2)10-11-16/h6,9-10,16-17H,4-5,7-8,11-12H2,1-3H3/b13-6+,14-10+,15-9+</td><td>C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CO</td><td>-2.0797068162575387</td><td>16.158211152107278</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000939">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="940"><td></td><td><a href="/entries/PHUB000940">Hydroxyfarnesol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000940</td><td>940</td><td>414.4973977</td><td>C<sub>21</sub>H<sub>34</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000940/image.svg" src="" /></td><td></td><td></td><td></td><td>414.22537</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000940">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="942"><td></td><td><a href="/entries/PHUB000942">Farnesoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000942</td><td>942</td><td>236.177630013</td><td>C<sub>15</sub>H<sub>24</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000942/image.svg" src="" /></td><td>WJHFZYAELPOJIV-UHFFFAOYSA-N</td><td></td><td>3,7,11-trimethyldodeca-2,6,10-trienoic acid</td><td>236.355</td><td>4.12e-02 g/l</td><td>4.68</td><td>-3.76</td><td>InChI=1S/C15H24O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)</td><td>CC(C)=CCCC(C)=CCCC(C)=CC(O)=O</td><td></td><td>4.921709973191047</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000942">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="943"><td></td><td><a href="/entries/PHUB000943">Farnesyl monophosphate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000943</td><td>943</td><td>302.164696347</td><td>C<sub>15</sub>H<sub>27</sub>O<sub>4</sub>P</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000943/image.svg" src="" /></td><td>ALEWCKXBHSDCCT-FBXUGWQNSA-N</td><td></td><td>{[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}phosphonic acid</td><td>302.351</td><td>2.65e-02 g/l</td><td>3.40</td><td>-4.06</td><td>InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-</td><td>CC(C)=CCC\C(C)=C/CC\C(C)=C/COP(O)(O)=O</td><td></td><td>1.785397553289238</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000943">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="944"><td></td><td><a href="/entries/PHUB000944">Farnesyl pyrophosphate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000944</td><td>944</td><td>382.131027238</td><td>C<sub>15</sub>H<sub>28</sub>O<sub>7</sub>P<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000944/image.svg" src="" /></td><td>VWFJDQUYCIWHTN-YFVJMOTDSA-N</td><td></td><td>{[hydroxy({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy})phosphoryl]oxy}phosphonic acid</td><td>382.33</td><td>8.07e-02 g/l</td><td>2.40</td><td>-3.68</td><td>InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+</td><td>[H]\C(CC\C(C)=C(/[H])COP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C</td><td></td><td>1.7672186885241004</td><td></td><td><a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000944">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="945"><td></td><td><a href="/entries/PHUB000945">Oleanolic acid (Hydroxyl-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000945</td><td>945</td><td>472.7111727</td><td>C<sub>30</sub>H<sub>48</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000945/image.svg" src="" /></td><td></td><td></td><td></td><td>472.35526</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000181">Oleanolic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000945">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="946"><td></td><td><a href="/entries/PHUB000946">Oleanolic acid (Dihydroxyl-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000946</td><td>946</td><td>488.7104778</td><td>C<sub>30</sub>H<sub>48</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000946/image.svg" src="" /></td><td></td><td></td><td></td><td>488.350175</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000181">Oleanolic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000946">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="948"><td></td><td><a href="/entries/PHUB000948">Glycyrrhetinic acid 3-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000948</td><td>948</td><td>646.371697939</td><td>C<sub>36</sub>H<sub>54</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3beta-monoglucuronyl-18beta-glycyrrhetinic acid</td><td class="structure"><img data-src="/structures/PHUB000948/image.svg" src="" /></td><td>HLDYLAJAWSKPFZ-HBKAJLBFSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>646.818</td><td>1.06e-02 g/l</td><td>3.97</td><td>-4.78</td><td>InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)/t19-,21-,22-,23-,24-,25+,26-,27+,29-,32+,33-,34-,35+,36+/m0/s1</td><td>[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O</td><td>-3.686499495698764</td><td>3.5367642642030934</td><td></td><td><a href="/entries/PHUB000171">Glycyrrhizin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000948">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="949"><td></td><td><a href="/entries/PHUB000949">Glycyrrhetinic acid 30-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000949</td><td>949</td><td>646.371697939</td><td>C<sub>36</sub>H<sub>54</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000949/image.svg" src="" /></td><td>PCQOITPWNKCXLU-TYBNYSPSSA-N</td><td></td><td>6-[(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>646.818</td><td>1.06e-02 g/l</td><td>3.73</td><td>-4.79</td><td>InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)38)20(37)16-18-19-17-33(4,13-12-32(19,3)14-15-35(18,36)6)30(44)46-29-25(41)23(39)24(40)26(45-29)28(42)43/h16,19,21-27,29,38-41H,8-15,17H2,1-7H3,(H,42,43)/t19-,21-,22-,23?,24?,25?,26?,27+,29?,32+,33-,34-,35+,36+/m0/s1</td><td>CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-0.8350448889648998</td><td>3.4623930357067634</td><td></td><td><a href="/entries/PHUB000171">Glycyrrhizin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000949">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="950"><td></td><td><a href="/entries/PHUB000950">Glycyrrhetinic acid 3-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000950</td><td>950</td><td>550.296424995</td><td>C<sub>30</sub>H<sub>46</sub>O<sub>7</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000950/image.svg" src="" /></td><td>IKLVARHEXXESBF-YKLVYJNSSA-N</td><td></td><td>(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-(sulfooxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid</td><td>550.75</td><td>4.51e-04 g/l</td><td>2.47</td><td>-6.09</td><td>InChI=1S/C30H46O7S/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)37-38(34,35)36)20(31)16-18-19-17-27(4,24(32)33)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23H,8-15,17H2,1-7H3,(H,32,33)(H,34,35,36)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1</td><td>[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OS(O)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O</td><td>-5.103019387855211</td><td>-1.3782972080487363</td><td></td><td><a href="/entries/PHUB000171">Glycyrrhizin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000950">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="951"><td></td><td><a href="/entries/PHUB000951">Glycyrrhetinic acid 3-O-sulfate-30-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000951</td><td>951</td><td>726.328512973</td><td>C<sub>36</sub>H<sub>54</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000951/image.svg" src="" /></td><td>PDPCLPSFPOLUFQ-TYBNYSPSSA-N</td><td></td><td>6-[(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-(sulfooxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>726.88</td><td>3.53e-02 g/l</td><td>2.14</td><td>-4.31</td><td>InChI=1S/C36H54O13S/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)49-50(44,45)46)20(37)16-18-19-17-33(4,13-12-32(19,3)14-15-35(18,36)6)30(43)48-29-25(40)23(38)24(39)26(47-29)28(41)42/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,44,45,46)/t19-,21-,22-,23?,24?,25?,26?,27+,29?,32+,33-,34-,35+,36+/m0/s1</td><td>[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OS(O)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.6868987921058802</td><td>-1.37800898119916</td><td></td><td><a href="/entries/PHUB000171">Glycyrrhizin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000951">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="953"><td></td><td><a href="/entries/PHUB000953">Ginsenoside Rh1</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000953</td><td>953</td><td>638.439383576</td><td>C<sub>36</sub>H<sub>62</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000953/image.svg" src="" /></td><td>RAQNTCRNSXYLAH-GMRSYGDLSA-N</td><td></td><td>(2R,3R,4S,5S,6R)-2-{[(3aR,3bR,5S,7S,9aR,11R)-7,11-dihydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>638.883</td><td>7.43e-02 g/l</td><td>2.68</td><td>-3.93</td><td>InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20?,21-,22+,23-,24?,25+,26?,27-,28+,29-,30?,31-,33-,34-,35-,36+/m1/s1</td><td>CC(C)=CCCC(C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.838900957340167</td><td>12.207106820940874</td><td></td><td><a href="/entries/PHUB000167">Ginsenoside Re</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000953">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="954"><td></td><td><a href="/entries/PHUB000954">Ginsenoside Rg2</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000954</td><td>954</td><td>784.497292378</td><td>C<sub>42</sub>H<sub>72</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000954/image.svg" src="" /></td><td>QOVKKEKBURQILF-HOJASPKOSA-N</td><td></td><td>(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5R,9aR,11S)-7,11-dihydroxy-1-[(5E)-2-hydroxy-6-methyloct-5-en-2-yl]-3a,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol</td><td>785.025</td><td>1.75e-01 g/l</td><td>1.69</td><td>-3.65</td><td>InChI=1S/C42H72O13/c1-9-20(2)11-10-14-42(8,51)22-12-15-40(6)24-18-26(36-39(4,5)28(45)13-16-41(36,7)23(24)17-25(44)29(22)40)53-38-35(33(49)31(47)27(19-43)54-38)55-37-34(50)32(48)30(46)21(3)52-37/h11,21-38,43-51H,9-10,12-19H2,1-8H3/b20-11+/t21-,22?,23?,24?,25-,26+,27+,28?,29?,30-,31+,32+,33-,34+,35+,36?,37-,38+,40+,41+,42-/m0/s1</td><td>CC\C(C)=C\CCC(C)(O)C1CC[C@@]2(C)C1[C@@H](O)CC1C2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C2C(C)(C)C(O)CC[C@]12C</td><td>-2.9010946832290703</td><td>12.098254574189765</td><td></td><td><a href="/entries/PHUB000167">Ginsenoside Re</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000954">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="955"><td></td><td><a href="/entries/PHUB000955">Ginsenoside F1</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000955</td><td>955</td><td>638.439383576</td><td>C<sub>36</sub>H<sub>62</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000955/image.svg" src="" /></td><td>QLPKLNOLHUEWSE-RQVRODNYSA-N</td><td></td><td>(2S,3R,4R,5S,6R)-2-{[(2R)-2-[(1S,3aR,5R,9aR,11S)-5,7,11-trihydroxy-1,3a,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>638.883</td><td>6.95e-02 g/l</td><td>2.54</td><td>-3.96</td><td>InChI=1S/C36H62O9/c1-19(2)10-9-12-36(8,45-31-28(43)27(42)26(41)24(18-37)44-31)35(7)15-14-34(6)21-16-22(38)29-32(3,4)25(40)11-13-33(29,5)20(21)17-23(39)30(34)35/h10,20-31,37-43H,9,11-18H2,1-8H3/t20?,21?,22-,23+,24-,25?,26-,27-,28-,29?,30?,31+,33-,34-,35+,36-/m1/s1</td><td>CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@]1(C)CC[C@@]2(C)C1[C@@H](O)CC1C2C[C@@H](O)C2C(C)(C)C(O)CC[C@]12C</td><td>-2.841679048634017</td><td>12.207004964999417</td><td></td><td><a href="/entries/PHUB000167">Ginsenoside Re</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000955">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="956"><td></td><td><a href="/entries/PHUB000956">Protopanaxatriol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000956</td><td>956</td><td>476.386560154</td><td>C<sub>30</sub>H<sub>52</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td>Saponins (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB000956/image.svg" src="" /></td><td>SHCBCKBYTHZQGZ-SUQVNWBZSA-N</td><td>1453-93-6</td><td>(3aR,3bR,5S,7S,9aR,11R)-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7,11-triol</td><td>476.742</td><td>
81.57e-02 g/l</td><td>4.21</td><td>-4.48</td><td>InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19?,20-,21+,22?,23+,24?,25?,27-,28-,29-,30-/m1/s1</td><td>CC(C)=CCCC(C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@@H](O)C[C@@]21C</td><td>-2.838900955638488</td><td>14.207891487177147</td><td><a href="/food_sources/74">Ginseng</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000956">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="957"><td></td><td><a href="/entries/PHUB000957">Camphene-2,10-glycol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000957</td><td>957</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000957/image.svg" src="" /></td><td>AVCGLLALGWYORY-KTOWXAHTSA-N</td><td></td><td>(2S)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol</td><td>170.252</td><td>1.35e+01 g/l</td><td>1.58</td><td>-1.10</td><td>InChI=1S/C10H18O2/c1-9(2)7-3-4-8(5-7)10(9,12)6-11/h7-8,11-12H,3-6H2,1-2H3/t7?,8?,10-/m0/s1</td><td>CC1(C)C2CCC(C2)[C@@]1(O)CO</td><td>-3.082676192791503</td><td>13.40531771679107</td><td></td><td><a href="/entries/PHUB000027">Camphene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000957">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="959"><td></td><td><a href="/entries/PHUB000959">6-exo-Hydroxycamphene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000959</td><td>959</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6-Hydroxycamphene</td><td class="structure"><img data-src="/structures/PHUB000959/image.svg" src="" /></td><td>KWDIOXFYRVLXFK-UHFFFAOYSA-N</td><td></td><td>5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptan-2-ol</td><td>152.237</td><td>2.48e+00 g/l</td><td>2.26</td><td>-1.79</td><td>InChI=1S/C10H16O/c1-6-8-4-7(5-9(8)11)10(6,2)3/h7-9,11H,1,4-5H2,2-3H3</td><td>CC1(C)C2CC(O)C(C2)C1=C</td><td>-1.2332844237327496</td><td>18.579139406189416</td><td></td><td><a href="/entries/PHUB000027">Camphene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000959">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="960"><td></td><td><a href="/entries/PHUB000960">7-Hydroxycamphene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000960</td><td>960</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000960/image.svg" src="" /></td><td>CZKOAPQGASVMAO-UHFFFAOYSA-N</td><td></td><td>
82,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol</td><td>152.237</td><td>2.70e+00 g/l</td><td>2.32</td><td>-1.75</td><td>InChI=1S/C10H16O/c1-6-7-4-5-8(9(7)11)10(6,2)3/h7-9,11H,1,4-5H2,2-3H3</td><td>CC1(C)C2CCC(C2O)C1=C</td><td>-0.8518054390404258</td><td>19.451290720072187</td><td></td><td><a href="/entries/PHUB000027">Camphene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000960">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="962"><td></td><td><a href="/entries/PHUB000962">10-hydroxytricyclene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000962</td><td>962</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000962/image.svg" src="" /></td><td>BJPLLVVMZQZECT-WNFCRHOISA-N</td><td></td><td>{3,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-1-yl}methanol</td><td>152.237</td><td>7.79e-01 g/l</td><td>2.16</td><td>-2.29</td><td>InChI=1S/C10H16O/c1-9(2)6-3-7-8(9)10(7,4-6)5-11/h6-8,11H,3-5H2,1-2H3</td><td>CC1(C)C2C3CC1CC23CO</td><td>-1.4281783852463095</td><td>18.133565648728144</td><td></td><td><a href="/entries/PHUB000027">Camphene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000962">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="963"><td></td><td><a href="/entries/PHUB000963">Carane 9,10-dicarboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>thuj-3,4-en-9,10-dioic acid</td><td>PHUB000963</td><td>963</td><td>198.089208931</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>thuj-3,4-en-9,10-dioic acid</td><td class="structure"><img data-src="/structures/PHUB000963/image.svg" src="" /></td><td>RVGIOKDRILNWNO-UHFFFAOYSA-N</td><td></td><td>(7R)-7-methylbicyclo[4.1.0]heptane-3,7-dicarboxylic acid</td><td>198.218</td><td>1.02e+01 g/l</td><td>1.22</td><td>-1.29</td><td>InChI=1S/C10H14O4/c1-10(9(13)14)6-3-2-5(8(11)12)4-7(6)10/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)/t5?,6?,7?,10-/m1/s1</td><td>C[C@]1(C2CCC(CC12)C(O)=O)C(O)=O</td><td></td><td>3.901258034755427</td><td></td><td><a href="/entries/PHUB000029">Carane</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000963">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="964"><td></td><td><a href="/entries/PHUB000964">m-mentha-4,6-dien-8-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000964</td><td>964</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000964/image.svg" src="" /></td><td>RVGIOKDRILNWNO-UHFFFAOYSA-N</td><td></td><td>2-(3-methylcyclohexa-1,3-dien-1-yl)propan-2-ol</td><td>152.237</td><td>2.65e+00 g/l</td><td>2.62</td><td>-1.76</td><td>InChI=1S/C10H16O/c1-8-5-4-6-9(7-8)10(2,3)11/h5,7,11H,4,6H2,1-3H3</td><td>CC1=CCCC(=C1)C(C)(C)O</td><td>-1.2377164981141016</td><td>18.569006634398487</td><td></td><td><a href="/entries/PHUB000030">Carene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000964">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="965"><td></td><td><a href="/entries/PHUB000965">
82-(3-Methylphenyl)propan-2-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>m-mentha-1,3,5-trien-8-ol </td><td>PHUB000965</td><td>965</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>m-Cymen-8-ol</td><td class="structure"><img data-src="/structures/PHUB000965/image.svg" src="" /></td><td>NARIBLVZTLPQJB-UHFFFAOYSA-N</td><td>5208-37-7</td><td>2-(3-methylphenyl)propan-2-ol</td><td>150.221</td><td>1.32e+00 g/l</td><td>2.52</td><td>-2.06</td><td>InChI=1S/C10H14O/c1-8-5-4-6-9(7-8)10(2,3)11/h4-7,11H,1-3H3</td><td>CC1=CC=CC(=C1)C(C)(C)O</td><td>-2.9629391610187037</td><td>14.624739000871733</td><td></td><td><a href="/entries/PHUB000030">Carene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000965">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="966"><td></td><td><a href="/entries/PHUB000966">3-Carene-9-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000966</td><td>966</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>thuj-3,4-en-9-ol</td><td class="structure"><img data-src="/structures/PHUB000966/image.svg" src="" /></td><td>IWWQJAJFNWJUSK-HHCGNCNQSA-N</td><td></td><td>[(1S,6R)-3,7-dimethylbicyclo[4.1.0]hept-3-en-7-yl]methanol</td><td>152.237</td><td>1.97e+00 g/l</td><td>1.90</td><td>-1.89</td><td>InChI=1S/C10H16O/c1-7-3-4-8-9(5-7)10(8,2)6-11/h3,8-9,11H,4-6H2,1-2H3/t8-,9+,10?/m1/s1</td><td>CC1=CC[C@@H]2[C@H](C1)C2(C)CO</td><td>-1.411801871777091</td><td>18.17100623736376</td><td></td><td><a href="/entries/PHUB000030">Carene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000966">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="967"><td></td><td><a href="/entries/PHUB000967">3-Carene-9-carboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000967</td><td>967</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>thuj-3,4-en-9-oic acid</td><td class="structure"><img data-src="/structures/PHUB000967/image.svg" src="" /></td><td>XADPDVMQMMJJHT-RQJHMYQMSA-N</td><td></td><td>(1S,6R)-3,7-dimethylbicyclo[4.1.0]hept-3-ene-7-carboxylic acid</td><td>166.22</td><td>4.51e+00 g/l</td><td>2.30</td><td>-1.57</td><td>InChI=1S/C10H14O2/c1-6-3-4-7-8(5-6)10(7,2)9(11)12/h3,7-8H,4-5H2,1-2H3,(H,11,12)/t7-,8+,10?/m1/s1</td><td>CC1=CC[C@@H]2[C@H](C1)C2(C)C(O)=O</td><td></td><td>4.682009305908491</td><td></td><td><a href="/entries/PHUB000030">Carene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000967">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="968"><td></td><td><a href="/entries/PHUB000968">3-carene-9,10-dicarboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000968</td><td>968</td><td>196.073558866</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>thuj-3,4-en-8,9-dioic acid</td><td class="structure"><img data-src="/structures/PHUB000968/image.svg" src="" /></td><td>GOWUAPWJOOLHSA-HHCGNCNQSA-N</td><td></td><td>(1S,6R)-3-methylbicyclo[4.1.0]hept-3-ene-7,7-dicarboxylic acid</td><td>196.202</td><td>2.17e+01 g/l</td><td>1.20</td><td>-0.96</td><td>InChI=1S/C10H12O4/c1-5-2-3-6-7(4-5)10(6,8(11)12)9(13)14/h2,6-7H,3-4H2,1H3,(H,11,12)(H,13,14)/t6-,7+/m1/s1</td><td>CC1=CC[C@@H]2[C@H](C1)C2(C(O)=O)C(O)=O</td><td></td><td>2.4978527349609934</td><td></td><td><a href="/entries/PHUB000030">Carene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000968">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="969"><td></td><td><a href="/entries/PHUB000969">3-caren-10-ol-9-carboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000969</td><td>969</td><td>182.094294311</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>8-hydroxy-thuj-3,4-en-9-oic acid</td><td class="structure"><img data-src="/structures/PHUB000969/image.svg" src="" /></td><td>BAVONGHXFVOKBV-UHFFFAOYSA-N</td><td></td><td>(1S,6R)-7-(hydroxymethyl)-3-methylbicyclo[4.1.0]hept-3-ene-7-carboxylic acid</td><td>182.219</td><td>7.44e+00 g/l</td><td>0.87</td><td>-1.39</td><td>InChI=1S/C10H14O3/c1-6-2-3-7-8(4-6)10(7,5-11)9(12)13/h2,7-8,11H,3-5H2,1H3,(H,12,13)/t7-,8+,10?/m1/s1</td><td>CC1=CC[C@@H]2[C@H](C1)C2(CO)C(O)=O</td><td>-2.8613416177507114</td><td>4.415595244770509</td><td></td><td><a href="/entries/PHUB000030">Carene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000969">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="970"><td></td><td><a href="/entries/PHUB000970">Carveol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dien-6-ol</td><td>PHUB000970</td><td>970</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-Mentha-1,8-dien-6-ol; trans-carveol</td><td class="structure"><img data-src="/structures/PHUB000970/image.svg" src="" /></td><td>BVXOWZPSSZQRID-UHFFFAOYSA-N</td><td>99-48-9, 2102-58-1</td><td>(1R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol</td><td>152.237</td><td></td><td></td><td></td><td>InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3</td><td>CC(=C)C1CC=C(C)[C@H](O)C1</td><td>-1.3959546522341704</td><td>18.207236734718403</td><td></td><td><a href="/entries/PHUB000033">Carvone</a> / <a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000970">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="971"><td></td><td><a href="/entries/PHUB000971">Carveol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dien-6-glucuronide</td><td>PHUB000971</td><td>971</td><td>328.152203113</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>7</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-1,8--dien-6-ol glucuronide</td><td class="structure"><img data-src="/structures/PHUB000971/image.svg" src="" /></td><td>KRCZYMFUWVJCLI-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]oxy}oxane-2-carboxylic acid</td><td>328.361</td><td>1.70e+01 g/l</td><td>0.31</td><td>-1.29</td><td>InChI=1S/C16H24O7/c1-7(2)9-5-4-8(3)10(6-9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h4,9-14,16-19H,1,5-6H2,2-3H3,(H,20,21)</td><td>CC(=C)C1CC=C(C)C(C1)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.6865073536827206</td><td>3.5943515171523694</td><td></td><td><a href="/entries/PHUB000033">Carvone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000971">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="972"><td></td><td><a href="/entries/PHUB000972">Dihydrocarveol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-8-en-6-ol</td><td>PHUB000972</td><td>972</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-8-en-6-ol</td><td class="structure"><img data-src="/structures/PHUB000972/image.svg" src="" /></td><td>BPJKNHQCPHBIAR-UHFFFAOYSA-N</td><td></td><td>2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-ol</td><td>154.253</td><td>1.32e+00 g/l</td><td>2.70</td><td>-2.07</td><td>InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3</td><td>CC1CCC(CC1O)C(C)=C</td><td>-1.051561774405684</td><td>18.994600424312566</td><td></td><td><a href="/entries/PHUB000033">Carvone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000972">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="973"><td></td><td><a href="/entries/PHUB000973">Carvonic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>6-oxo-p-mentha-1,8-dien-9-oic acid</td><td>PHUB000973</td><td>973</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000973/image.svg" src="" /></td><td>WBPNIFAWLPCWGX-UHFFFAOYSA-N</td><td></td><td>2-(4-methyl-5-oxocyclohex-3-en-1-yl)prop-2-enoic acid</td><td>180.203</td><td>5.73e+00 g/l</td><td>1.53</td><td>-1.50</td><td>InChI=1S/C10H12O3/c1-6-3-4-8(5-9(6)11)7(2)10(12)13/h3,8H,2,4-5H2,1H3,(H,12,13)</td><td>CC1=CCC(CC1=O)C(=C)C(O)=O</td><td>-4.659876550719069</td><td>4.379810950293259</td><td></td><td><a href="/entries/PHUB000033">Carvone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000973">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="974"><td></td><td><a href="/entries/PHUB000974">Dihydrocarvonic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>6-oxo-p-mentha-1-en-9-oic acid</td><td>PHUB000974</td><td>974</td><td>182.094294311</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000974/image.svg" src="" /></td><td>AOKPDATZUBLDMG-UHFFFAOYSA-N</td><td>83994-34-7</td><td>2-(4-methyl-5-oxocyclohex-3-en-1-yl)propanoic acid</td><td>182.219</td><td>7.82e+00 g/l</td><td>1.53</td><td>-1.37</td><td>InChI=1S/C10H14O3/c1-6-3-4-8(5-9(6)11)7(2)10(12)13/h3,7-8H,4-5H2,1-2H3,(H,12,13)</td><td>CC(C1CC=C(C)C(=O)C1)C(O)=O</td><td>-4.625224010572336</td><td>4.531897906838537</td><td></td><td><a href="/entries/PHUB000033">Carvone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000974">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="975"><td></td><td><a href="/entries/PHUB000975">Uroterpenolone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8,9-dihydroxy-p-menth-1-en-6-one</td><td>PHUB000975</td><td>975</td><td>184.109944375</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000975/image.svg" src="" /></td><td>SLFZJKUFAVHARP-UHFFFAOYSA-N</td><td></td><td>5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one</td><td>184.235</td><td>1.97e+01 g/l</td><td>0.34</td><td>-0.97</td><td>InChI=1S/C10H16O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h3,8,11,13H,4-6H2,1-2H3</td><td>CC1=CCC(CC1=O)C(C)(O)CO</td><td>-3.0720816513479257</td><td>13.853945720450323</td><td></td><td><a href="/entries/PHUB000033">Carvone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000975">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="977"><td></td><td><a href="/entries/PHUB000977">8-hydroxy-p-mentha-1,3,5-trien-7-oic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-(2-hydroxypropan-2-yl)benzoic acid </td><td>PHUB000977</td><td>977</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000977/image.svg" src="" /></td><td>SLFZJKUFAVHARP-UHFFFAOYSA-N</td><td></td><td>4-(2-hydroxypropan-2-yl)benzoic acid</td><td>180.203</td><td>1.54e+00 g/l</td><td>1.71</td><td>-2.07</td><td>InChI=1S/C10H12O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3-6,13H,1-2H3,(H,11,12)</td><td>CC(C)(O)C1=CC=C(C=C1)C(O)=O</td><td>-3.0260484099267284</td><td>4.0619619602535915</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000977">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="978"><td></td><td><a href="/entries/PHUB000978">9-hydroxy-p-mentha-1,3,5-trien-7-oic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-(1-Hydroxypropan-2-yl)benzoic acid</td><td>PHUB000978</td><td>978</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000978/image.svg" src="" /></td><td>ZHJJCJKDNFTHKD-UHFFFAOYSA-N</td><td></td><td>4-(1-hydroxypropan-2-yl)benzoic acid</td><td>180.203</td><td>1.17e+00 g/l</td><td>1.60</td><td>-2.19</td><td>InChI=1S/C10H12O3/c1-7(6-11)8-2-4-9(5-3-8)10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13)</td><td>CC(CO)C1=CC=C(C=C1)C(O)=O</td><td>-2.6542970577888534</td><td>4.1840100329026475</td><td></td><td><a href="/entries/PHUB000038">Cuminaldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000978">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="979"><td></td><td><a href="/entries/PHUB000979">p-mentha-1,3,5-trien-7,9-dioic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-(1-carboxyethyl)benzoic acid</td><td>PHUB000979</td><td>979</td><td>194.057908802</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000979/image.svg" src="" /></td><td>OIGWAXDAPKFNCQ-UHFFFAOYSA-N</td><td></td><td>4-(1-carboxyethyl)benzoic acid</td><td>194.186</td><td>9.10e-01 g/l</td><td>1.69</td><td>-2.33</td><td>InChI=1S/C10H10O4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)(H,13,14)</td><td>CC(C(O)=O)C1=CC=C(C=C1)C(O)=O</td><td></td><td>3.5380042921992745</td><td></td><td><a href="/entries/PHUB000038">Cuminaldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000979">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="980"><td></td><td><a href="/entries/PHUB000980">p-mentha-1,3,5-trien-7-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Isopropylbenzyl alcohol</td><td>PHUB000980</td><td>980</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cumic alcohol; Cuminol</td><td class="structure"><img data-src="/structures/PHUB000980/image.svg" src="" /></td><td>OIGWAXDAPKFNCQ-UHFFFAOYSA-N</td><td></td><td>[4-(propan-2-yl)phenyl]methanol</td><td>150.221</td><td>6.51e-01 g/l</td><td>2.63</td><td>-2.36</td><td>InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3</td><td>CC(C)C1=CC=C(CO)C=C1</td><td>-2.7770259982345573</td><td>15.049780525298225</td><td></td><td><a href="/entries/PHUB000038">Cuminaldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000980">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="981"><td></td><td><a href="/entries/PHUB000981">2-(4-Methylphenyl)propan-1-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthan-1,3,5-trien-9-ol</td><td>PHUB000981</td><td>981</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cymen-9-ol (p-); p-cymene-9-ol</td><td class="structure"><img data-src="/structures/PHUB000981/image.svg" src="" /></td><td>KDYOFXPLHVSIHS-UHFFFAOYSA-N</td><td>4371-50-0</td><td>2-(4-methylphenyl)propan-1-ol</td><td>150.221</td><td>7.82e-01 g/l</td><td>2.51</td><td>-2.28</td><td>
8InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3</td><td>CC(CO)C1=CC=C(C)C=C1</td><td>-2.622096050054034</td><td>15.40398708263824</td><td></td><td><a href="/entries/PHUB000039">Cymene-p</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000981">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="982"><td></td><td><a href="/entries/PHUB000982">2-(4-Methylphenyl)propanoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,3,5-trien-10-oic acid</td><td>PHUB000982</td><td>982</td><td>164.083729626</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Tolylpropionic acid (alpha-,p-)</td><td class="structure"><img data-src="/structures/PHUB000982/image.svg" src="" /></td><td>XLPDVYGDNRIQFV-UHFFFAOYSA-N</td><td></td><td>2-(4-methylphenyl)propanoic acid</td><td>164.204</td><td>8.50e-01 g/l</td><td>2.46</td><td>-2.29</td><td>InChI=1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)</td><td>CC(C(O)=O)C1=CC=C(C)C=C1</td><td></td><td>4.71010622275275</td><td></td><td><a href="/entries/PHUB000039">Cymene-p</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000982">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="983"><td></td><td><a href="/entries/PHUB000983">2-(4-Methylphenyl)propan-2-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthan-1,3,5-trien-8-ol</td><td>PHUB000983</td><td>983</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-Cymen-8-ol</td><td class="structure"><img data-src="/structures/PHUB000983/image.svg" src="" /></td><td>XLPDVYGDNRIQFV-UHFFFAOYSA-N</td><td></td><td>2-(4-methylphenyl)propan-2-ol</td><td>150.221</td><td>1.22e+00 g/l</td><td>2.53</td><td>-2.09</td><td>InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3</td><td>CC1=CC=C(C=C1)C(C)(C)O</td><td>-2.9602058931878785</td><td>14.630987898518795</td><td></td><td><a href="/entries/PHUB000039">Cymene-p</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000983">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="984"><td></td><td><a href="/entries/PHUB000984">2-hydroxy-2-(4-Methylphenyl)propanoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8-hydroxy-p-mentha-1,3,5-trien-10-oic acid</td><td>PHUB000984</td><td>984</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Tolyl-alpha-hydroxylpropionic acid (alpha-)</td><td class="structure"><img data-src="/structures/PHUB000984/image.svg" src="" /></td><td>SPMMMKHRSINRIN-UHFFFAOYSA-N</td><td></td><td>2-hydroxy-2-(4-methylphenyl)propanoic acid</td><td>180.203</td><td>8.01e+00 g/l</td><td>1.26</td><td>-1.35</td><td>InChI=1S/C10H12O3/c1-7-3-5-8(6-4-7)10(2,13)9(11)12/h3-6,13H,1-2H3,(H,11,12)</td><td>CC1=CC=C(C=C1)C(C)(O)C(O)=O</td><td>-4.140831285645276</td><td>3.9484193352191217</td><td></td><td><a href="/entries/PHUB000039">Cymene-p</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000984">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="985"><td></td><td><a href="/entries/PHUB000985">
82-(4-Methylphenyl)prop-2-enoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB000985</td><td>985</td><td>162.068079562</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Tolylacrylic acid (alpha-)</td><td class="structure"><img data-src="/structures/PHUB000985/image.svg" src="" /></td><td>SPMMMKHRSINRIN-UHFFFAOYSA-N</td><td></td><td>2-(4-methylphenyl)prop-2-enoic acid</td><td>162.188</td><td>6.32e-01 g/l</td><td>2.66</td><td>-2.41</td><td>InChI=1S/C10H10O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6H,2H2,1H3,(H,11,12)</td><td>CC1=CC=C(C=C1)C(=C)C(O)=O</td><td></td><td>4.381936519929073</td><td></td><td><a href="/entries/PHUB000039">Cymene-p</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000985">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="986"><td></td><td><a href="/entries/PHUB000986">4-isopropylbenzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,3,5-trien-7-oic acid</td><td>PHUB000986</td><td>986</td><td>164.083729626</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cumic acid; Cuminic acid</td><td class="structure"><img data-src="/structures/PHUB000986/image.svg" src="" /></td><td>CKMXAIVXVKGGFM-UHFFFAOYSA-N</td><td>536-66-3</td><td>4-(propan-2-yl)benzoic acid</td><td>164.204</td><td>2.77e-01 g/l</td><td>2.86</td><td>-2.77</td><td>InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)</td><td>CC(C)C1=CC=C(C=C1)C(O)=O</td><td></td><td>4.234588373675136</td><td></td><td><a href="/entries/PHUB000039">Cymene-p</a> / <a href="/entries/PHUB000038">Cuminaldehyde</a> / <a href="/entries/PHUB000076">Perillyl aldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000986">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="987"><td></td><td><a href="/entries/PHUB000987">4-(1-Hydroxy-1-methylethyl)benzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8-hydroxy-p-menthan-1,3,5-trien-7-oic acid</td><td>PHUB000987</td><td>987</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(2-Hydroxy-2-propyl)benzoic Acid</td><td class="structure"><img data-src="/structures/PHUB000987/image.svg" src="" /></td><td>SLFZJKUFAVHARP-UHFFFAOYSA-N</td><td>3609-50-5</td><td>4-(2-hydroxypropan-2-yl)benzoic acid</td><td>180.203</td><td>1.54e+00 g/l</td><td>1.71</td><td>-2.07</td><td>InChI=1S/C10H12O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3-6,13H,1-2H3,(H,11,12)</td><td>CC(C)(O)C1=CC=C(C=C1)C(O)=O</td><td>-3.0260484099267284</td><td>4.0619619602535915</td><td></td><td><a href="/entries/PHUB000039">Cymene-p</a> / <a href="/entries/PHUB000038">Cuminaldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000987">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="990"><td></td><td><a href="/entries/PHUB000990">
8Limonene-1,2-diol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-8-en-1,2-diol</td><td>PHUB000990</td><td>990</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(1S,2S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol</td><td class="structure"><img data-src="/structures/PHUB000990/image.svg" src="" /></td><td>WKZWTZTZWGWEGE-UHFFFAOYNA-N</td><td></td><td></td><td>170.252</td><td></td><td></td><td></td><td>InChI=1/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3</td><td>CC(=C)C1CCC(C)(O)C(O)C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000990">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="991"><td></td><td><a href="/entries/PHUB000991">Limonene-8,9-diol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-1-en-8,9-diol</td><td>PHUB000991</td><td>991</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(4-methylcyclohex-3-en-1-yl)prop-1-ene-1,3-diol; Uroterpenol</td><td class="structure"><img data-src="/structures/PHUB000991/image.svg" src="" /></td><td>UIMAEYMKYMNCGW-UHFFFAOYSA-N</td><td></td><td>2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol</td><td>170.252</td><td>1.68e+01 g/l</td><td>1.54</td><td>-1.01</td><td>InChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3</td><td>CC1=CCC(CC1)C(C)(O)CO</td><td>-3.0717693617306594</td><td>13.865555775118555</td><td></td><td><a href="/entries/PHUB000051">Limonene</a> / <a href="/entries/PHUB000067">Myrcene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000991">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="993"><td></td><td><a href="/entries/PHUB000993">Limonene-10-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dien-10-ol</td><td>PHUB000993</td><td>993</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol; p-menta-1-en-10-ol</td><td class="structure"><img data-src="/structures/PHUB000993/image.svg" src="" /></td><td>UYTMBQNUNDXCOH-UHFFFAOYSA-N</td><td></td><td>2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol</td><td>152.237</td><td>1.87e+00 g/l</td><td>2.55</td><td>-1.91</td><td>InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3</td><td>CC1=CCC(CC1)C(=C)CO</td><td>-1.9453382081886437</td><td>16.95121580203785</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000993">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="994"><td></td><td><a href="/entries/PHUB000994">Limonene-10-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dien-10-glucuronide</td><td>PHUB000994</td><td>994</td><td>328.152203113</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>7</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Limonene-10-ol-glucuronide; p-mentha-1-en-10-ol glucuronide</td><td class="structure"><img data-src="/structures/PHUB000994/image.svg" src="" /></td><td>CDSMSBUVCWHORP-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-yl]oxy}oxane-2-carboxylic acid</td><td>328.361</td><td>1.35e+01 g/l</td><td>0.43</td><td>-1.39</td><td>InChI=1S/C16H24O7/c1-8-3-5-10(6-4-8)9(2)7-22-16-13(19)11(17)12(18)14(23-16)15(20)21/h3,10-14,16-19H,2,4-7H2,1H3,(H,20,21)</td><td>CC1=CCC(CC1)C(=C)COC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.686500032994943</td><td>3.581747461443608</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000994">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="996"><td></td><td><a href="/entries/PHUB000996">Perillic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dien-7-oic acid</td><td>PHUB000996</td><td>996</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid</td><td class="structure"><img data-src="/structures/PHUB000996/image.svg" src="" /></td><td>CDSMSBUVCWHORP-UHFFFAOYSA-N</td><td>7694-45-3</td><td>4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid</td><td>166.22</td><td></td><td></td><td></td><td>InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)</td><td>CC(=C)C1CCC(=CC1)C(O)=O</td><td></td><td>4.791787353232393</td><td></td><td><a href="/entries/PHUB000051">Limonene</a> / <a href="/entries/PHUB000076">Perillyl aldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000996">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="997"><td></td><td><a href="/entries/PHUB000997">Perillic acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dienoyl-7-glucuronide</td><td>PHUB000997</td><td>997</td><td>342.131467668</td><td>C<sub>16</sub>H<sub>22</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-1,8-dien-7-oic acid glucuronide</td><td class="structure"><img data-src="/structures/PHUB000997/image.svg" src="" /></td><td>BDECPMREPJQCEB-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-[4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbonyloxy]oxane-2-carboxylic acid</td><td>342.344</td><td>1.63e+01 g/l</td><td>0.05</td><td>-1.32</td><td>InChI=1S/C16H22O8/c1-7(2)8-3-5-9(6-4-8)15(22)24-16-12(19)10(17)11(18)13(23-16)14(20)21/h5,8,10-13,16-19H,1,3-4,6H2,2H3,(H,20,21)</td><td>CC(=C)C1CCC(=CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.6869064304514017</td><td>3.399599857314645</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000997">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="998"><td></td><td><a href="/entries/PHUB000998">Perillyl glycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dienoyl-7-glycine</td><td>PHUB000998</td><td>998</td><td>223.120843411</td><td>C<sub>12</sub>H<sub>17</sub>NO<sub>3</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-1,8-dien-7-oic acid glycine</td><td class="structure"><img data-src="/structures/PHUB000998/image.svg" src="" /></td><td>OEPVVGSSFNHCPB-UHFFFAOYSA-N</td><td></td><td>2-[(Z)-{hydroxy[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methylidene}amino]acetic acid</td><td>223.272</td><td>4.06e-01 g/l</td><td>1.85</td><td>-2.74</td><td>InChI=1S/C12H17NO3/c1-8(2)9-3-5-10(6-4-9)12(16)13-7-11(14)15/h5,9H,1,3-4,6-7H2,2H3,(H,13,16)(H,14,15)</td><td>CC(=C)C1CCC(=CC1)C(\O)=N\CC(O)=O</td><td>2.3892687130588786</td><td>3.9472808030942566</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000998">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="999"><td></td><td><a href="/entries/PHUB000999">Perillic acid-8,9-diol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8,9-dihydroxy-p-menth-1-en-7-oic acid </td><td>PHUB000999</td><td>999</td><td>200.104858995</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB000999/image.svg" src="" /></td><td>XZOBEDLKVOHSSH-DTORHVGOSA-N</td><td></td><td>4-(1,2-dihydroxypropan-2-yl)cyclohex-1-ene-1-carboxylic acid</td><td>200.234</td><td>1.78e+01 g/l</td><td>0.61</td><td>-1.05</td><td>InChI=1S/C10H16O4/c1-10(14,6-11)8-4-2-7(3-5-8)9(12)13/h2,8,11,14H,3-6H2,1H3,(H,12,13)</td><td>CC(O)(CO)C1CCC(=CC1)C(O)=O</td><td>-3.0717695803368095</td><td>4.410024077030334</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB000999">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1000"><td></td><td><a href="/entries/PHUB001000">Dihydroperillic acid (trans-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>E-p-menth-8-en-7-oic acid</td><td>PHUB001000</td><td>1000</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001000/image.svg" src="" /></td><td>XZOBEDLKVOHSSH-DTORHVGOSA-N</td><td></td><td>(1s,4s)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid</td><td>168.236</td><td>1.60e+00 g/l</td><td>2.56</td><td>-2.02</td><td>InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9+</td><td>CC(=C)[C@H]1CC[C@H](CC1)C(O)=O</td><td></td><td>4.939568069425187</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001000">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1001"><td></td><td><a href="/entries/PHUB001001">Dihydroperillic acid (cis-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Z-p-menth-8-en-7-oic acid</td><td>PHUB001001</td><td>1001</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001001/image.svg" src="" /></td><td>XZOBEDLKVOHSSH-KYZUINATSA-N</td><td></td><td>(1r,4r)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid</td><td>168.236</td><td>1.60e+00 g/l</td><td>2.56</td><td>-2.02</td><td>InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9-</td><td>CC(=C)[C@H]1CC[C@@H](CC1)C(O)=O</td><td></td><td>4.939568069425187</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001001">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1002"><td></td><td><a href="/entries/PHUB001002">Dihydroperillic acid glucuronide (trans-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>E-p-menth-8-eneyl-7-glucuronide</td><td>PHUB001002</td><td>1002</td><td>344.147117733</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>E-p-menth-8-en-7-oic acid glucuronide; trans-dihydroperillic acid-7-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001002/image.svg" src="" /></td><td>SOFCHPTZCVYNEZ-GBZOVYLJSA-N</td><td></td><td>3,4,5-trihydroxy-6-[(1s,4s)-4-(prop-1-en-2-yl)cyclohexanecarbonyloxy]oxane-2-carboxylic acid</td><td>344.36</td><td>1.82e+01 g/l</td><td>0.00</td><td>-1.28</td><td>InChI=1S/C16H24O8/c1-7(2)8-3-5-9(6-4-8)15(22)24-16-12(19)10(17)11(18)13(23-16)14(20)21/h8-13,16-19H,1,3-6H2,2H3,(H,20,21)/t8-,9+,10?,11?,12?,13?,16?</td><td>CC(=C)[C@H]1CC[C@H](CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.6868986916885658</td><td>3.4382814121157828</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001002">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1003"><td></td><td><a href="/entries/PHUB001003">Dihydroperillic acid glucuronide (cis-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Z-p-menth-8-eneyl-7-glucuronide</td><td>PHUB001003</td><td>1003</td><td>344.147117733</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cis-dihydroperillic acid-7-glucuronide; Z-p-menth-8-en-7-oic acid glucuronide</td><td class="structure"><img data-src="/structures/PHUB001003/image.svg" src="" /></td><td>VHFLDVUTUUPFHN-OCSVBGQESA-N</td><td></td><td>4,5,6-trihydroxy-2-[(1r,4r)-4-(prop-1-en-2-yl)cyclohexanecarbonyloxy]oxane-3-carboxylic acid</td><td>344.36</td><td>1.81e+01 g/l</td><td>0.01</td><td>-1.28</td><td>InChI=1S/C16H24O8/c1-7(2)8-3-5-9(6-4-8)14(21)23-16-10(13(19)20)11(17)12(18)15(22)24-16/h8-12,15-18,22H,1,3-6H2,2H3,(H,19,20)/t8-,9-,10?,11?,12?,15?,16?</td><td>CC(=C)[C@H]1CC[C@@H](CC1)C(=O)OC1OC(O)C(O)C(O)C1C(O)=O</td><td>-3.5067815101428494</td><td>3.83199102962359</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001003">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1004"><td></td><td><a href="/entries/PHUB001004">p-mentha-1,8-dien-10-carboxylic-acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dien-10-oic acid</td><td>PHUB001004</td><td>1004</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Perillic acid isomer</td><td class="structure"><img data-src="/structures/PHUB001004/image.svg" src="" /></td><td>OFWOMCSHJWTBGF-UHFFFAOYSA-N</td><td></td><td>2-(4-methylcyclohex-3-en-1-yl)prop-2-enoic acid</td><td>166.22</td><td>1.55e+00 g/l</td><td>2.59</td><td>-2.03</td><td>InChI=1S/C10H14O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,9H,2,4-6H2,1H3,(H,11,12)</td><td>CC1=CCC(CC1)C(=C)C(O)=O</td><td></td><td>4.78424575355389</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001004">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1005"><td></td><td><a href="/entries/PHUB001005">Myrcene-3(10)-glycol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>7-methyl-3-hydroxymethylocta-1,6-dien-3-ol</td><td>PHUB001005</td><td>1005</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001005/image.svg" src="" /></td><td>LNVCRVBAADGZJE-UHFFFAOYSA-N</td><td></td><td>2-ethenyl-6-methylhept-5-ene-1,2-diol</td><td>170.252</td><td>6.41e+00 g/l</td><td>1.42</td><td>-1.42</td><td>InChI=1S/C10H18O2/c1-4-10(12,8-11)7-5-6-9(2)3/h4,6,11-12H,1,5,7-8H2,2-3H3</td><td>CC(C)=CCCC(O)(CO)C=C</td><td>-3.090681578729882</td><td>13.576488067165581</td><td></td><td><a href="/entries/PHUB000067">Myrcene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001005">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1006"><td></td><td><a href="/entries/PHUB001006">Myrcene (3-Hydroxy, 10-carboxylic acid)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-Ethenyl-2-hydroxy-6-methyl-5-heptenoic acid</td><td>PHUB001006</td><td>1006</td><td>184.109944375</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001006/image.svg" src="" /></td><td>CSRABKKYPRURRM-UHFFFAOYSA-N</td><td>69367-39-1</td><td>2-ethenyl-2-hydroxy-6-methylhept-5-enoic acid</td><td>184.235</td><td>5.00e+00 g/l</td><td>1.51</td><td>-1.57</td><td>InChI=1S/C10H16O3/c1-4-10(13,9(11)12)7-5-6-8(2)3/h4,6,13H,1,5,7H2,2-3H3,(H,11,12)</td><td>CC(C)=CCCC(O)(C=C)C(O)=O</td><td>-4.107863275221464</td><td>4.299406499695042</td><td></td><td><a href="/entries/PHUB000067">Myrcene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001006">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1007"><td></td><td><a href="/entries/PHUB001007">Myrcene-1,2-glycol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>7-methyl-3-methylideneocta-6-en-1,2-diol</td><td>PHUB001007</td><td>1007</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001007/image.svg" src="" /></td><td>IMWIABNERYUMHO-UHFFFAOYSA-N</td><td></td><td>7-methyl-3-methylideneoct-6-ene-1,2-diol</td><td>170.252</td><td>6.95e+00 g/l</td><td>1.48</td><td>-1.39</td><td>InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,10-12H,3-4,6-7H2,1-2H3</td><td>CC(C)=CCCC(=C)C(O)CO</td><td>-2.95764881648628</td><td>13.79283376579218</td><td></td><td><a href="/entries/PHUB000067">Myrcene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001007">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1008"><td></td><td><a href="/entries/PHUB001008">Myrcene (2-hydroxy, 1-carboxylic acid)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxy-7-methyl-3-methylideneocta-6-enoic acid</td><td>PHUB001008</td><td>1008</td><td>184.109944375</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001008/image.svg" src="" /></td><td>SYKFBYLBABZJJQ-UHFFFAOYSA-N</td><td></td><td>2-hydroxy-7-methyl-3-methylideneoct-6-enoic acid</td><td>184.235</td><td>6.51e+00 g/l</td><td>1.80</td><td>-1.45</td><td>InChI=1S/C10H16O3/c1-7(2)5-4-6-8(3)9(11)10(12)13/h5,9,11H,3-4,6H2,1-2H3,(H,12,13)</td><td>CC(C)=CCCC(=C)C(O)C(O)=O</td><td>-4.041001919155678</td><td>4.345347397708375</td><td></td><td><a href="/entries/PHUB000067">Myrcene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001008">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1011"><td></td><td><a href="/entries/PHUB001011">7-hydroxymenthol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthane-3,7-diol</td><td>PHUB001011</td><td>1011</td><td>172.146329884</td><td>C<sub>10</sub>H<sub>20</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-(hydroxymethyl)-2-(propan-2-yl)cyclohexan-1-ol; Menthane-3,7-diol (p-)</td><td class="structure"><img data-src="/structures/PHUB001011/image.svg" src="" /></td><td>PSJWHBLMRRRGQW-UHFFFAOYSA-N</td><td></td><td>5-(hydroxymethyl)-2-(propan-2-yl)cyclohexan-1-ol</td><td>172.268</td><td>1.09e+01 g/l</td><td>1.59</td><td>-1.20</td><td>InChI=1S/C10H20O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h7-12H,3-6H2,1-2H3</td><td>CC(C)C1CCC(CO)CC1O</td><td>-2.594477966825032</td><td>14.819515381616743</td><td></td><td><a href="/entries/PHUB000062">(-)-Menthol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001011">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1012"><td></td><td><a href="/entries/PHUB001012">3-hydroxy-p-menthan-7-oic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-p-menthan-7-oic acid</td><td>PHUB001012</td><td>1012</td><td>186.12559444</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>2-[3-hydroxy-4-(propan-2-yl)cyclohexyl]acetic acid; Menthane (3-Hydroxy-p-, 7-carboxylic acid)</td><td class="structure"><img data-src="/structures/PHUB001012/image.svg" src="" /></td><td>RIIGXCBSCSKGKB-UHFFFAOYSA-N</td><td></td><td>3-hydroxy-4-(propan-2-yl)cyclohexane-1-carboxylic acid</td><td>186.251</td><td>1.24e+01 g/l</td><td>1.18</td><td>-1.18</td><td>InChI=1S/C10H18O3/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h6-9,11H,3-5H2,1-2H3,(H,12,13)</td><td>CC(C)C1CCC(CC1O)C(O)=O</td><td>-2.836856993132443</td><td>4.750389977075616</td><td></td><td><a href="/entries/PHUB000062">(-)-Menthol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001012">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1014"><td></td><td><a href="/entries/PHUB001014">p-menthane-3,7,8-triol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthane-3,7,8-triol</td><td>PHUB001014</td><td>1014</td><td>188.141244504</td><td>C<sub>10</sub>H<sub>20</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)cyclohexan-1-ol; Menthane-3,7,8-triol (p-)</td><td class="structure"><img data-src="/structures/PHUB001014/image.svg" src="" /></td><td>WZABJPOZADRUAU-UHFFFAOYNA-N</td><td></td><td></td><td>188.267</td><td></td><td></td><td></td><td>InChI=1/C10H20O3/c1-10(2,13)8-4-3-7(6-11)5-9(8)12/h7-9,11-13H,3-6H2,1-2H3</td><td>CC(C)(O)C1CCC(CO)CC1O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000062">(-)-Menthol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001014">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1015"><td></td><td><a href="/entries/PHUB001015">8-Hydroxymenthol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthane-3,8-diol</td><td>PHUB001015</td><td>1015</td><td>172.146329884</td><td>C<sub>10</sub>H<sub>20</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol; Menthane-3,8-diol (p-)</td><td class="structure"><img data-src="/structures/PHUB001015/image.svg" src="" /></td><td>CLJGMBYGTHRUNF-PJOPELHJSA-N</td><td></td><td>2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol</td><td>172.268</td><td>1.06e+01 g/l</td><td>1.88</td><td>-1.21</td><td>InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3</td><td>CC1CCC(C(O)C1)C(C)(C)O</td><td>-2.8041647266131493</td><td>14.614339722218403</td><td></td><td><a href="/entries/PHUB000062">(-)-Menthol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001015">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1016"><td></td><td><a href="/entries/PHUB001016">Menthol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthane-3-glucuronide</td><td>PHUB001016</td><td>1016</td><td>332.183503242</td><td>C<sub>16</sub>H<sub>28</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001016/image.svg" src="" /></td><td>CLJGMBYGTHRUNF-PJOPELHJSA-N</td><td>79466-08-3</td><td>3,4,5-trihydroxy-6-{[(2R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid</td><td>332.393</td><td>1.12e+01 g/l</td><td>
81.00</td><td>-1.47</td><td>InChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9-,10?,11?,12?,13?,14?,16?/m1/s1</td><td>CC(C)[C@H]1CCC(C)CC1OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.6864993624289633</td><td>3.91105942596735</td><td></td><td><a href="/entries/PHUB000062">(-)-Menthol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001016">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1018"><td></td><td><a href="/entries/PHUB001018">3,8-dihydroxy-p-menthan-7-oic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,8-dihydroxy-p-menthan-7-oic acid</td><td>PHUB001018</td><td>1018</td><td>202.12050906</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Menthane (3,8-dihydroxy-p-, 7-carboxylic acid)</td><td class="structure"><img data-src="/structures/PHUB001018/image.svg" src="" /></td><td>BINZTUGHCIRHLP-UHFFFAOYSA-N</td><td></td><td>3-hydroxy-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid</td><td>202.25</td><td>4.55e+01 g/l</td><td>0.37</td><td>-0.65</td><td>InChI=1S/C10H18O4/c1-10(2,14)7-4-3-6(9(12)13)5-8(7)11/h6-8,11,14H,3-5H2,1-2H3,(H,12,13)</td><td>CC(C)(O)C1CCC(CC1O)C(O)=O</td><td>-2.8041821894323684</td><td>4.540973534949695</td><td></td><td><a href="/entries/PHUB000062">(-)-Menthol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001018">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1019"><td></td><td><a href="/entries/PHUB001019">9-hydroxymenthol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthane-3,9-diol</td><td>PHUB001019</td><td>1019</td><td>172.146329884</td><td>C<sub>10</sub>H<sub>20</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol; Menthane-3,9-diol (p-)</td><td class="structure"><img data-src="/structures/PHUB001019/image.svg" src="" /></td><td>RZDAUSHWMAGQJS-UHFFFAOYSA-N</td><td></td><td>2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol</td><td>172.268</td><td>9.55e+00 g/l</td><td>1.60</td><td>-1.26</td><td>InChI=1S/C10H20O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7-12H,3-6H2,1-2H3</td><td>CC(CO)C1CCC(C)CC1O</td><td>-2.5944786809481135</td><td>14.81958972042942</td><td></td><td><a href="/entries/PHUB000062">(-)-Menthol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001019">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1021"><td></td><td><a href="/entries/PHUB001021">8-hydroxymenthol-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthane-8-ol-3-glucuronide</td><td>PHUB001021</td><td>1021</td><td>348.178417862</td><td>C<sub>16</sub>H<sub>28</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Menthane-3,8-diol glucuronide (p-)</td><td class="structure"><img data-src="/structures/PHUB001021/image.svg" src="" /></td><td>WFMMSESEUZVZOV-UHFFFAOYNA-N</td><td></td><td>3,4,5-trihydroxy-6-{[2-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]oxy}oxane-2-carboxylic acid</td><td>348.392</td><td></td><td></td><td></td><td>InChI=1/C16H28O8/c1-7-4-5-8(16(2,3)22)9(6-7)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h7-13,15,17-19,22H,4-6H2,1-3H3,(H,20,21)</td><td>CC1CCC(C(C1)OC1OC(C(O)C(O)C1O)C(O)=O)C(C)(C)O</td><td>-2.80445074143604</td><td>3.8135616761072346</td><td></td><td><a href="/entries/PHUB000062">(-)-Menthol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001021">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1022"><td></td><td><a href="/entries/PHUB001022">(-)-Perillyl alcohol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(-)-p-mentha-1,8-dien-7-ol</td><td>PHUB001022</td><td>1022</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001022/image.svg" src="" /></td><td>GMYHXOPIKMGWOM-UHFFFAOYSA-N</td><td></td><td>[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol</td><td>152.237</td><td>1.90e+00 g/l</td><td>2.50</td><td>-1.90</td><td>InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1</td><td>CC(=C)[C@H]1CCC(CO)=CC1</td><td>-1.986736242852114</td><td>16.85657008950134</td><td></td><td><a href="/entries/PHUB000076">Perillyl aldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001022">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1023"><td></td><td><a href="/entries/PHUB001023">Dihydroperillyl alcohol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-8-en-7-ol</td><td>PHUB001023</td><td>1023</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cis-isopulegone</td><td class="structure"><img data-src="/structures/PHUB001023/image.svg" src="" /></td><td>GMYHXOPIKMGWOM-UHFFFAOYSA-N</td><td>22521-57-9</td><td>[4-(prop-1-en-2-yl)cyclohexyl]methanol</td><td>154.253</td><td>6.76e-01 g/l</td><td>2.88</td><td>-2.36</td><td>InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h9-11H,1,3-7H2,2H3</td><td>CC(=C)C1CCC(CO)CC1</td><td>-1.6427340361347467</td><td>17.643040612403414</td><td></td><td><a href="/entries/PHUB000076">Perillyl aldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001023">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1026"><td></td><td><a href="/entries/PHUB001026">Verbenol (trans-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>E-pin-2,3-ene-4-ol</td><td>PHUB001026</td><td>1026</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001026/image.svg" src="" /></td><td>WONIGEXYPVIKFS-UHFFFAOYSA-N</td><td></td><td>4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol</td><td>152.237</td><td>3.51e+00 g/l</td><td>2.07</td><td>-1.64</td><td>InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3</td><td>CC1=CC(O)C2CC1C2(C)C</td><td>-1.229259008687073</td><td>18.58834245842004</td><td></td><td><a href="/entries/PHUB000079">Pinene-alpha</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001026">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1027"><td></td><td><a href="/entries/PHUB001027">Myrtenol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>pin-2,3-en-10-ol</td><td>PHUB001027</td><td>1027</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>
8O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001027/image.svg" src="" /></td><td>RXBQNMWIQKOSCS-UHFFFAOYSA-N</td><td></td><td>{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methanol</td><td>152.237</td><td>1.67e+00 g/l</td><td>2.71</td><td>-1.96</td><td>InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3</td><td>CC1(C)C2CC1C(CO)=CC2</td><td>-1.8813307803677821</td><td>17.097551942460488</td><td></td><td><a href="/entries/PHUB000079">Pinene-alpha</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001027">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1028"><td></td><td><a href="/entries/PHUB001028">Myrtenic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>pin-2,3-en-10-oic acid</td><td>PHUB001028</td><td>1028</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001028/image.svg" src="" /></td><td>XPHVDOXZJRTIMV-UHFFFAOYSA-N</td><td></td><td>6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid</td><td>166.22</td><td>2.08e+00 g/l</td><td>2.49</td><td>-1.90</td><td>InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)</td><td>CC1(C)C2CC1C(=CC2)C(O)=O</td><td></td><td>4.6498950807843205</td><td></td><td><a href="/entries/PHUB000079">Pinene-alpha</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001028">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1029"><td></td><td><a href="/entries/PHUB001029">(-)-Epicatechin 3'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-3'-glucuronide</td><td>PHUB001029</td><td>1029</td><td>466.111126148</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001029/image.svg" src="" /></td><td>VBSMBNMUYITMLB-IUODEOHRSA-N</td><td>603133-91-1</td><td>3,4,5-trihydroxy-6-{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid</td><td>466.395</td><td>2.89e+00 g/l</td><td>0.08</td><td>-2.21</td><td>InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15?,16?,17?,18-,19?,21?/m1/s1</td><td>O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C1)C=C(O)C=C2O</td><td>-3.6868279761800333</td><td>3.0064421603129543</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001029">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1030"><td></td><td><a href="/entries/PHUB001030">(-)-Epicatechin 3'-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-3'-sulfate</td><td>PHUB001030</td><td>1030</td><td>370.035853205</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>9</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001030/image.svg" src="" /></td><td>VBSMBNMUYITMLB-IUODEOHRSA-N</td><td></td><td>{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid</td><td>370.33</td><td>1.38e+00 g/l</td><td>0.01</td><td>-2.43</td><td>InChI=1S/C15H14O9S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td>-3.2940776371723</td><td>-2.3311274086873977</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001030">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1031"><td></td><td><a href="/entries/PHUB001031">(-)-Epicatechin 4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-4'-glucuronide</td><td>PHUB001031</td><td>1031</td><td>466.111126148</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001031/image.svg" src="" /></td><td>YKRWCINYMPRAIG-IUODEOHRSA-N</td><td></td><td>3,4,6-trihydroxy-5-{2-hydroxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid</td><td>466.395</td><td>2.56e+00 g/l</td><td>0.06</td><td>-2.26</td><td>InChI=1S/C21H22O12/c22-8-4-10(23)9-6-12(25)17(32-14(9)5-8)7-1-2-13(11(24)3-7)31-19-16(27)15(26)18(20(28)29)33-21(19)30/h1-5,12,15-19,21-27,30H,6H2,(H,28,29)/t12-,15?,16?,17-,18?,19?,21?/m1/s1</td><td>O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(OC3C(O)OC(C(O)C3O)C(O)=O)C=C1)C=C(O)C=C2O</td><td>-3.69882653801769</td><td>3.0447507995959477</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001031">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1032"><td></td><td><a href="/entries/PHUB001032">(-)-Epicatechin 4'-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-4'-sulfate</td><td>PHUB001032</td><td>1032</td><td>370.035853205</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001032/image.svg" src="" /></td><td>YKRWCINYMPRAIG-IUODEOHRSA-N</td><td></td><td>{2-hydroxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid</td><td>370.33</td><td>1.28e+00 g/l</td><td>0.05</td><td>-2.46</td><td>InChI=1S/C15H14O9S/c16-8-4-10(17)9-6-12(19)15(23-14(9)5-8)7-1-2-13(11(18)3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(OS(O)(=O)=O)C=C1</td><td>-3.3024753081836944</td><td>-2.325795472157522</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001032">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1033"><td></td><td><a href="/entries/PHUB001033">(-)-Epicatechin 5-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-5-sulfate</td><td>PHUB001033</td><td>1033</td><td>370.035853205</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>9</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001033/image.svg" src="" /></td><td>MWSSRHFQMROXGK-IUODEOHRSA-N</td><td></td><td>[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulfonic acid</td><td>370.33</td><td>1.47e+00 g/l</td><td>-0.05</td><td>-2.40</td><td>InChI=1S/C15H14O9S/c16-8-4-13-9(14(5-8)24-25(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O</td><td>-3.30947498850145</td><td>-2.297656160170727</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001033">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1035"><td></td><td><a href="/entries/PHUB001035">(-)-Epicatechin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-glucuronide</td><td>PHUB001035</td><td>1035</td><td>466.3989068</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001035/image.svg" src="" /></td><td></td><td></td><td></td><td>466.11113</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001035">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1037"><td></td><td><a href="/entries/PHUB001037">(-)-Epicatechin sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-sulfate-glucuronide</td><td>PHUB001037</td><td>1037</td><td>546.4612115</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>15</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001037/image.svg" src="" /></td><td></td><td></td><td></td><td>546.067947</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001037">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1038"><td></td><td><a href="/entries/PHUB001038">(Epi)catechin 3-O-gallate O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)catechin-3-O-gallate-sulfate</td><td>PHUB001038</td><td>1038</td><td>522.4417344</td><td>C<sub>22</sub>H<sub>18</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>
8Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001038/image.svg" src="" /></td><td></td><td></td><td></td><td>522.046817</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000263">(-)-Epicatechin 3-O-gallate</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001038">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1039"><td></td><td><a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)catechin-glucuronide</td><td>PHUB001039</td><td>1039</td><td>466.3989068</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001039/image.svg" src="" /></td><td></td><td></td><td></td><td>466.11113</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002663">Grape Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002658">Almond Flavan-3-ols</a> / <a href="/entries/PHUB002654">Red Wine Flavan-3-ols</a> / <a href="/entries/PHUB000261">(+)-Catechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001039">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1040"><td></td><td><a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)catechin-sulfate</td><td>PHUB001040</td><td>1040</td><td>370.335352</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001040/image.svg" src="" /></td><td></td><td></td><td></td><td>370.035857</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002658">Almond Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002654">Red Wine Flavan-3-ols</a> / <a href="/entries/PHUB000261">(+)-Catechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001040">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1041"><td></td><td><a href="/entries/PHUB001041">(Epi)gallocatechin O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)gallocatechin-glucuronide</td><td>PHUB001041</td><td>1041</td><td>482.3982119</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001041/image.svg" src="" /></td><td></td><td></td><td></td><td>482.106045</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000264">(-)-Epigallocatechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001041">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1042"><td></td><td><a href="/entries/PHUB001042">(Epi)gallocatechin O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)gallocatechin-sulfate</td><td>PHUB001042</td><td>1042</td><td>386.3346571</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>10</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001042/image.svg" src="" /></td><td></td><td></td><td></td><td>386.030772</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000264">(-)-Epigallocatechin</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001042">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1043"><td></td><td><a href="/entries/PHUB001043">(Epi)gallocatechin-3-O-gallate O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)gallocatechin-3-O-gallate-sulfate</td><td>PHUB001043</td><td>1043</td><td>538.4410395</td><td>C<sub>22</sub>H<sub>18</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001043/image.svg" src="" /></td><td></td><td></td><td></td><td>538.041732</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000265">(-)-Epigallocatechin 3-O-gallate</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001043">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1044"><td></td><td><a href="/entries/PHUB001044">1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001044</td><td>1044</td><td>292.094688235</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001044/image.svg" src="" /></td><td>DZAUWHJDUNRCTF-UHFFFAOYSA-N</td><td></td><td>2-[3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]benzene-1,3,5-triol</td><td>292.287</td><td>3.28e-01 g/l</td><td>0.83</td><td>-2.95</td><td>InChI=1S/C15H16O6/c16-9(3-8-1-2-12(18)15(21)4-8)5-11-13(19)6-10(17)7-14(11)20/h1-2,4,6-7,9,16-21H,3,5H2</td><td>OC(CC1=CC(O)=C(O)C=C1)CC1=C(O)C=C(O)C=C1O</td><td>-2.816716023247702</td><td>9.081731763458784</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001044">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1045"><td></td><td><a href="/entries/PHUB001045">
81-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001045</td><td>1045</td><td>276.2896941</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001045/image.svg" src="" /></td><td></td><td></td><td></td><td>276.099775</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001045">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1046"><td></td><td><a href="/entries/PHUB001046">3-(3',4'-Dihydroxyphenyl)propionic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001046</td><td>1046</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001046/image.svg" src="" /></td><td>DZAUWHJDUNRCTF-UHFFFAOYSA-N</td><td></td><td>3-(3,4-dihydroxyphenyl)propanoic acid</td><td>182.175</td><td>2.62e+00 g/l</td><td>1.04</td><td>-1.84</td><td>InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)</td><td>OC(=O)CCC1=CC(O)=C(O)C=C1</td><td>-6.289086658260411</td><td>3.8379150142223004</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a> / <a href="/entries/PHUB000574">Caffeic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001046">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1047"><td></td><td><a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3'-Hydroxyphenyl)propanoic acid</td><td>PHUB001047</td><td>1047</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3-Hydroxyphenyl)propanoic acid; 3-(3-hydroxyphenyl)propionic acid; 3-hydroxy-dihydrocinnamic acid; 3-hydroxyphenylpropionic acid; 3'-Hydroxy-dihydrocinnamic acid; m-Hydroxy-dihydrocinnamic acid</td><td class="structure"><img data-src="/structures/PHUB001047/image.svg" src="" /></td><td>QVWAEZJXDYOKEH-UHFFFAOYSA-N</td><td>621-54-5</td><td>3-(3-hydroxyphenyl)propanoic acid</td><td>166.176</td><td>2.80e+00 g/l</td><td>1.14</td><td>-1.77</td><td>InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)</td><td>OC(=O)CCC1=CC(O)=CC=C1</td><td>-5.964060407587342</td><td>4.214566239011227</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000275">Procyanidin dimer A2</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a> / <a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000580">Caftaric acid</a> / <a href="/entries/PHUB000585">5-O-Caffeoylquinic acid</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000634">Rosmarinic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002656">
8Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001047">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1048"><td></td><td><a href="/entries/PHUB001048">3'-Hydroxyphenylacetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Hydroxyphenylacetic acid</td><td>PHUB001048</td><td>1048</td><td>152.047344118</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>(3-Hydroxyphenyl)acetic acid; 3-Hydroxyphenylacetic acid; 3-hydroxyphenylethanoic acid</td><td class="structure"><img data-src="/structures/PHUB001048/image.svg" src="" /></td><td>FVMDYYGIDFPZAX-UHFFFAOYSA-N</td><td>621-37-4</td><td>2-(3-hydroxyphenyl)acetic acid</td><td>152.149</td><td>6.98e+00 g/l</td><td>0.93</td><td>-1.34</td><td>InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)</td><td>OC(=O)CC1=CC(O)=CC=C1</td><td>-5.965684195856605</td><td>3.9988857987295043</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000275">Procyanidin dimer A2</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000722">Rutin</a> / <a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001048">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1049"><td></td><td><a href="/entries/PHUB001049">3'-O-Methyl-(-)-epicatechin 4'-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3â²-Methoxy-(â)-epicatechin-4â²-sulfate</td><td>PHUB001049</td><td>1049</td><td>384.051503269</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001049/image.svg" src="" /></td><td>QGMVQGQNIUVPMC-MLGOLLRUSA-N</td><td></td><td>{2-methoxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid</td><td>384.36</td><td>9.40e-01 g/l</td><td>0.09</td><td>-2.61</td><td>InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-13(15)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1</td><td>-3.302717783807791</td><td>-2.236812013049832</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001049">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1050"><td></td><td><a href="/entries/PHUB001050">3'-O-Methyl-(-)-epicatechin 5-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxy-(â)-epicatechin-5-sulfate</td><td>PHUB001050</td><td>1050</td><td>384.051503269</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>
8Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001050/image.svg" src="" /></td><td>ZFUHNDPCTCXKQO-MLGOLLRUSA-N</td><td></td><td>[(2R,3R)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulfonic acid</td><td>384.36</td><td>1.03e+00 g/l</td><td>0.06</td><td>-2.57</td><td>InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-11(15)18)16-12(19)7-10-13(24-16)5-9(17)6-14(10)25-26(20,21)22/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(OC)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O</td><td>-3.3097578068921245</td><td>-2.2998193150240245</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001050">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1051"><td></td><td><a href="/entries/PHUB001051">3'-O-Methyl-(-)-epicatechin 7-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3â²-Methoxy-(â)-epicatechin-7-sulfate</td><td>PHUB001051</td><td>1051</td><td>384.051503269</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001051/image.svg" src="" /></td><td>RIKCESGMRQZLKQ-CZUORRHYSA-N</td><td></td><td>[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfonic acid</td><td>384.36</td><td>9.11e-01 g/l</td><td>0.11</td><td>-2.63</td><td>InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-11(15)17)16-13(19)7-10-12(18)5-9(6-14(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,16-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1</td><td>-3.3041089718632795</td><td>-2.3010045951565887</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001051">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1052"><td></td><td><a href="/entries/PHUB001052">3'-O-Methyl-(-)-epicatechin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001052</td><td>1052</td><td>480.4258956</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001052/image.svg" src="" /></td><td></td><td></td><td></td><td>480.12678</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001052">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1053"><td></td><td><a href="/entries/PHUB001053">3'-O-Methyl(epi)catechin O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001053</td><td>1053</td><td>384.3623408</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001053/image.svg" src="" /></td><td></td><td></td><td></td><td>384.051507</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001053">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1054"><td></td><td><a href="/entries/PHUB001054">4'-O-Methyl-(-)-epicatechin 5-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4â²-Methoxy-(â)-epicatechin-5-sulfate</td><td>PHUB001054</td><td>1054</td><td>384.051503269</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001054/image.svg" src="" /></td><td>JSNCQMRECHVQQQ-MLGOLLRUSA-N</td><td></td><td>[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxidanesulfonic acid</td><td>384.36</td><td>
81.08e+00 g/l</td><td>0.06</td><td>-2.55</td><td>InChI=1S/C16H16O9S/c1-23-13-3-2-8(4-11(13)18)16-12(19)7-10-14(24-16)5-9(17)6-15(10)25-26(20,21)22/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2OS(O)(=O)=O</td><td>-3.30996982636746</td><td>-2.2999790070462462</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001054">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1055"><td></td><td><a href="/entries/PHUB001055">4'-O-Methyl-(-)-epicatechin 7-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxy-(â)-epicatechin-7-sulfate</td><td>PHUB001055</td><td>1055</td><td>384.051503269</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001055/image.svg" src="" /></td><td>NCEYJABYRYYGNC-CZUORRHYSA-N</td><td></td><td>[(2R,3R)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfonic acid</td><td>384.36</td><td>9.43e-01 g/l</td><td>0.11</td><td>-2.61</td><td>InChI=1S/C16H16O9S/c1-23-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(6-15(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,16-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1</td><td>-3.3043203928056752</td><td>-2.3011641631974435</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001055">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1056"><td></td><td><a href="/entries/PHUB001056">4'-O-Methyl-(-)-epicatechin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxy-(â)-epicatechin-glucuronide</td><td>PHUB001056</td><td>1056</td><td>480.4258956</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001056/image.svg" src="" /></td><td></td><td></td><td></td><td>480.12678</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001056">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1057"><td></td><td><a href="/entries/PHUB001057">4'-O-methyl(epi)catechin O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001057</td><td>1057</td><td>384.3623408</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001057/image.svg" src="" /></td><td></td><td></td><td></td><td>384.051507</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001057">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1058"><td></td><td><a href="/entries/PHUB001058">4'-O-methyl(epi)gallocatechin O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxy-(epi)gallocatechin-glucuronide</td><td>PHUB001058</td><td>1058</td><td>496.4252007</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001058/image.svg" src="" /></td><td></td><td></td><td></td><td>496.121695</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000264">(-)-Epigallocatechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001058">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1059"><td></td><td><a href="/entries/PHUB001059">4'-O-Methyl(epi)gallocatechin O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001059</td><td>1059</td><td>400.3616459</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>10</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001059/image.svg" src="" /></td><td></td><td></td><td></td><td>400.046422</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000264">(-)-Epigallocatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001059">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1060"><td></td><td><a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3',4'-dihydroxyphenyl)-γ-valerolactone</td><td>PHUB001060</td><td>1060</td><td>208.073558866</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>[M6]; 5-(3,4-dihydroxyphenyl)-gamma-valerolactone; 5-(3,4-dihydroxyphenyl)-γ-valerolactone; 5-(dihydroxyphenyl)-valerolactone; 5-(dihydroxyphenyl)-γ-valerolactone; δ-(3,4-dihydroxyphenyl)-γ-valerolactone</td><td class="structure"><img data-src="/structures/PHUB001060/image.svg" src="" /></td><td>KTDWBJGUMIZRHU-UHFFFAOYSA-N</td><td>21618-92-8</td><td>5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one</td><td>208.213</td><td>1.38e+00 g/l</td><td>1.47</td><td>-2.18</td><td>InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2</td><td>OC1=C(O)C=C(CC2CCC(=O)O2)C=C1</td><td>-6.289147264805463</td><td>9.284113130939318</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a> / <a href="/entries/PHUB000261">(+)-Catechin</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002662">
8Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002654">Red Wine Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001060">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1061"><td></td><td><a href="/entries/PHUB001061">5-(3',4'-dihydroxyphenyl)valeric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001061</td><td>1061</td><td>210.089208931</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001061/image.svg" src="" /></td><td>KTDWBJGUMIZRHU-UHFFFAOYSA-N</td><td></td><td>5-(3,4-dihydroxyphenyl)pentanoic acid</td><td>210.229</td><td>6.79e-01 g/l</td><td>1.87</td><td>-2.49</td><td>InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)</td><td>OC(=O)CCCCC1=CC(O)=C(O)C=C1</td><td>-6.249138264740745</td><td>4.05045006519918</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a> / <a href="/entries/PHUB000261">(+)-Catechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001061">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1063"><td></td><td><a href="/entries/PHUB001063">5-(3'-hydroxyphenyl)valeric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001063</td><td>1063</td><td>194.094294311</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001063/image.svg" src="" /></td><td>CMLIEOOXQFWANJ-UHFFFAOYSA-N</td><td></td><td>5-(3-hydroxyphenyl)pentanoic acid</td><td>194.23</td><td>4.50e-01 g/l</td><td>1.97</td><td>-2.64</td><td>InChI=1S/C11H14O3/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8,12H,1-2,4,7H2,(H,13,14)</td><td>OC(=O)CCCCC1=CC=CC(O)=C1</td><td>-5.47842226254725</td><td>4.484398036989744</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001063">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1064"><td></td><td><a href="/entries/PHUB001064">Methyl-(-)-epicatechin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(â)-epicatechin-sulfate</td><td>PHUB001064</td><td>1064</td><td>384.3623408</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001064/image.svg" src="" /></td><td></td><td></td><td></td><td>384.051507</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002657">
8Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001064">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1065"><td></td><td><a href="/entries/PHUB001065">Methyl-(-)-epicatechin sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001065</td><td>1065</td><td>560.4882003</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>15</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001065/image.svg" src="" /></td><td></td><td></td><td></td><td>560.083597</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001065">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1066"><td></td><td><a href="/entries/PHUB001066">O-Methyl(epi)catechin-3-O-gallate O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)catechin-3-O-gallate-sulfate</td><td>PHUB001066</td><td>1066</td><td>536.4687232</td><td>C<sub>23</sub>H<sub>20</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001066/image.svg" src="" /></td><td></td><td></td><td></td><td>536.062467</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000263">(-)-Epicatechin 3-O-gallate</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001066">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1067"><td></td><td><a href="/entries/PHUB001067">O-Methyl(epi)gallocatechin-3-O-gallate O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)gallocatechin-3-O-gallate-sulfate</td><td>PHUB001067</td><td>1067</td><td>552.4680283</td><td>C<sub>23</sub>H<sub>20</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001067/image.svg" src="" /></td><td></td><td></td><td></td><td>552.057382</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000265">(-)-Epigallocatechin 3-O-gallate</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001067">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1068"><td></td><td><a href="/entries/PHUB001068">Phenylacetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Phenylacetic acid</td><td>PHUB001068</td><td>1068</td><td>136.052429498</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>2-Phenylacetic acid; 2-Phenylethanoate; phenylethanoic acid</td><td class="structure"><img data-src="/structures/PHUB001068/image.svg" src="" /></td><td>WLJVXDMOQOGPHL-UHFFFAOYSA-N</td><td>103-82-2</td><td>2-phenylacetic acid</td><td>136.15</td><td>3.61e+00 g/l</td><td>1.72</td><td>-1.58</td><td>InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)</td><td>OC(=O)CC1=CC=CC=C1</td><td></td><td>4.546943579612796</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000275">Procyanidin dimer A2</a> / <a href="/entries/PHUB000277">Procyanidin dimer B2</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001068">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1069"><td></td><td><a href="/entries/PHUB001069">3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-3-hydroxy-3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid </td><td>PHUB001069</td><td>1069</td><td>212.068473486</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3-hydroxy-4-methoxyphenyl)-3-hydroxypropanoic acid; 3-(3-hydroxy-4-methoxyphenyl)-3-hydroxypropionic acid; 3-(3-hydroxy-4-methoxyphenyl)hydracrylic acid; 3-(3'-hydroxy-4'-methoxyphenyl)-3-hydroxypropanoic acid; 3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid; 3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionic acid; 3-hydroxy-3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid</td><td class="structure"><img data-src="/structures/PHUB001069/image.svg" src="" /></td><td>XMIIGOLPHOKFCH-UHFFFAOYSA-N</td><td>28030-22-0</td><td>3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid</td><td>212.201</td><td>3.51e+00 g/l</td><td>0.95</td><td>-1.78</td><td>InChI=1S/C10H12O5/c1-15-9-3-2-6(4-8(9)12)7(11)5-10(13)14/h2-4,7,11-12H,5H2,1H3,(H,13,14)</td><td>COC1=C(O)C=C(C=C1)C(O)CC(O)=O</td><td>-3.15899834360521</td><td>3.740561928358517</td><td></td><td><a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001069">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1076"><td></td><td><a href="/entries/PHUB001076">Dihydrocaffeic acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001076</td><td>1076</td><td>358.3021714</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3',4'-Dihydroxyhydrocinnamic acid glucuronide</td><td class="structure"><img data-src="/structures/PHUB001076/image.svg" src="" /></td><td></td><td></td><td></td><td>358.09</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000377">Eriocitrin</a> / <a href="/entries/PHUB000378">Eriodictyol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001076">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1078"><td></td><td><a href="/entries/PHUB001078">3-Phenylpropionic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Phenylpropanoic acid</td><td>PHUB001078</td><td>1078</td><td>150.068079562</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>2</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(phenyl)propanoic acid; 3-(Phenyl)propionic acid; 3-Phenylpropionate; Benzenepropanoic acid; Dihydrocinnamic acid</td><td class="structure"><img data-src="/structures/PHUB001078/image.svg" src="" /></td><td>XMIIGOLPHOKFCH-UHFFFAOYSA-N</td><td>501-52-0</td><td>3-phenylpropanoic acid</td><td>150.177</td><td>1.70e+00 g/l</td><td>1.84</td><td>-1.95</td><td>InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)</td><td>OC(=O)CCC1=CC=CC=C1</td><td></td><td>4.72892532891747</td><td></td><td><a href="/entries/PHUB000275">Procyanidin dimer A2</a> / <a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB000389">Naringin</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001078">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1081"><td></td><td><a href="/entries/PHUB001081">Eriodictyol-7-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001081</td><td>1081</td><td>464.095476084</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001081/image.svg" src="" /></td><td>JONBDLJSECMWGO-QSIVJBIXSA-N</td><td></td><td>6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>464.379</td><td>1.90e+00 g/l</td><td>1.11</td><td>-2.39</td><td>InChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)</td><td>OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)OC(C1O)C(O)=O</td><td>-3.6868267780633714</td><td>2.731713856325965</td><td></td><td><a href="/entries/PHUB000377">Eriocitrin</a> / <a href="/entries/PHUB000378">Eriodictyol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001081">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1083"><td></td><td><a href="/entries/PHUB001083">Eriodictyol-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001083</td><td>1083</td><td>464.3829549</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001083/image.svg" src="" /></td><td></td><td></td><td></td><td>464.09548</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000402">Eriodictyol-6-C-glucoside</a> / <a href="/entries/PHUB000403">Eriodictyol-8-C-glucoside</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB003018">Bergamote flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001083">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1085"><td></td><td><a href="/entries/PHUB001085">Eriodictyol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001085</td><td>1085</td><td>368.3194001</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001085/image.svg" src="" /></td><td></td><td></td><td></td><td>368.020207</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000402">Eriodictyol-6-C-glucoside</a> / <a href="/entries/PHUB000403">Eriodictyol-8-C-glucoside</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000389">Naringin</a> / <a href="/entries/PHUB003018">Bergamote flavanones</a> / <a href="/entries/PHUB003019">Eriodictyol-C-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001085">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1090"><td></td><td><a href="/entries/PHUB001090">Hesperetin-3',7-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001090</td><td>1090</td><td>654.143214126</td><td>C<sub>28</sub>H<sub>30</sub>O<sub>18</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001090/image.svg" src="" /></td><td>PJAUEKWZQWLQSU-UHFFFAOYSA-N</td><td></td><td></td><td>654.53</td><td></td><td></td><td></td><td>InChI=1S/C28H30O18/c1-41-12-3-2-8(4-14(12)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40)</td><td>COC1=CC(=CC=C1OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C2O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001090">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1092"><td></td><td><a href="/entries/PHUB001092">Hesperetin-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001092</td><td>1092</td><td>478.111126148</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001092/image.svg" src="" /></td><td>AXWNOFHBYPBYNO-UHFFFAOYSA-N</td><td></td><td>6-[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>478.406</td><td>1.79e+00 g/l</td><td>0.72</td><td>-2.43</td><td>InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)</td><td>COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1</td><td>-3.686827976962355</td><td>3.0853684829126453</td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB003018">Bergamote flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001092">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1094"><td></td><td><a href="/entries/PHUB001094">Hesperetin-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001094</td><td>1094</td><td>382.035853205</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001094/image.svg" src="" /></td><td>VSMANZCTYUGTIM-UHFFFAOYSA-N</td><td></td><td>[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-methoxyphenyl]oxidanesulfonic acid</td><td>382.34</td><td>6.32e-01 g/l</td><td>0.41</td><td>-2.78</td><td>InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)</td><td>COC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O1)C=C(O)C=C2O</td><td>-4.634381837775399</td><td>-2.415722977042617</td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001094">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1096"><td></td><td><a href="/entries/PHUB001096">Hesperetin 5,7-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001096</td><td>1096</td><td>654.143214126</td><td>C<sub>28</sub>H<sub>30</sub>O<sub>18</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001096/image.svg" src="" /></td><td>NEAWXAXVQDDFJL-NRUUXJFASA-N</td><td></td><td></td><td>654.53</td><td></td><td></td><td></td><td>InChI=1S/C28H30O18/c1-41-12-3-2-8(4-10(12)29)13-7-11(30)16-14(43-13)5-9(42-27-21(35)17(31)19(33)23(45-27)25(37)38)6-15(16)44-28-22(36)18(32)20(34)24(46-28)26(39)40/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40)</td><td>COC1=CC(=CC=C1O)C1CC(=O)C2=C(O1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2OC1OC(C(O)C(O)C1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001096">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1098"><td></td><td><a href="/entries/PHUB001098">Hesperetin-7-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001098</td><td>1098</td><td>478.111126148</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001098/image.svg" src="" /></td><td>SXTWBGCAZOJCQN-UHFFFAOYSA-N</td><td></td><td></td><td>478.406</td><td></td><td></td><td></td><td>InChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30)</td><td>COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O[C@H]3O[C@H]([C@H](O)[C@@H](O)[C@@H]3O)C(O)=O)C=C2O1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB003018">Bergamote flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001098">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1100"><td></td><td><a href="/entries/PHUB001100">Hesperetin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001100</td><td>1100</td><td>478.4099437</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001100/image.svg" src="" /></td><td></td><td></td><td></td><td>478.11113</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000377">Eriocitrin</a> / <a href="/entries/PHUB000378">Eriodictyol</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000381">Hesperidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001100">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1102"><td></td><td><a href="/entries/PHUB001102">Hesperetin sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001102</td><td>1102</td><td>558.4722484</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>15</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001102/image.svg" src="" /></td><td></td><td></td><td></td><td>558.067947</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB003018">Bergamote flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001102">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1104"><td></td><td><a href="/entries/PHUB001104">Hesperetin-5-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001104</td><td>1104</td><td>382.035853205</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001104/image.svg" src="" /></td><td>QRULBSSBAHHSES-UHFFFAOYSA-N</td><td></td><td></td><td>382.34</td><td></td><td></td><td></td><td>InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-10(12)18)13-7-11(19)16-14(24-13)5-9(17)6-15(16)25-26(20,21)22/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)</td><td>COC1=CC=C(C=C1O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(O)C=C2O1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB003018">Bergamote flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001104">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1105"><td></td><td><a href="/entries/PHUB001105">Homoeriodictyol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001105</td><td>1105</td><td>302.079038171</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001105/image.svg" src="" /></td><td>FTODBIPDTXRIGS-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>302.282</td><td>1.33e-01 g/l</td><td>2.53</td><td>-3.36</td><td>InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3</td><td>COC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1</td><td>-4.620038760270414</td><td>7.862897885955693</td><td></td><td><a href="/entries/PHUB000377">Eriocitrin</a> / <a href="/entries/PHUB000378">Eriodictyol</a> / <a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001105">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1108"><td></td><td><a href="/entries/PHUB001108">Homoeriodictyol-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001108</td><td>1108</td><td>478.111126148</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001108/image.svg" src="" /></td><td>GLLUZJVOSGFTFH-UHFFFAOYSA-N</td><td></td><td></td><td>478.406</td><td></td><td></td><td></td><td>InChI=1S/C22H22O12/c1-31-14-4-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)2-3-12(14)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)</td><td>COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(=C1)C1CC(=O)C2=C(O1)C=C(O)C=C2O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001108">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1109"><td></td><td><a href="/entries/PHUB001109">Homoeriodictyol-7-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001109</td><td>1109</td><td>478.111126148</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001109/image.svg" src="" /></td><td>DWRWUJOWQSLIKP-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid</td><td>478.406</td><td>1.78e+00 g/l</td><td>0.89</td><td>-2.43</td><td>InChI=1S/C22H22O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)</td><td>COC1=C(O)C=CC(=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O</td><td>-3.6868267780633714</td><td>2.7317139708099503</td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001109">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1110"><td></td><td><a href="/entries/PHUB001110">Homoeriodictyol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001110</td><td>1110</td><td>478.4099437</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001110/image.svg" src="" /></td><td></td><td></td><td></td><td>478.11113</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000377">Eriocitrin</a> / <a href="/entries/PHUB000378">Eriodictyol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001110">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1112"><td></td><td><a href="/entries/PHUB001112">Homoeriodictyol-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001112</td><td>1112</td><td>382.3463889</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001112/image.svg" src="" /></td><td></td><td></td><td></td><td>382.035857</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001112">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1113"><td></td><td><a href="/entries/PHUB001113">Naringenin-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001113</td><td>1113</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001113/image.svg" src="" /></td><td>DFIUUCDSSKATFP-UHFFFAOYSA-N</td><td></td><td>6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>448.38</td><td>1.48e+00 g/l</td><td>0.73</td><td>-2.48</td><td>InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)</td><td>OC1C(O)C(OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O</td><td>-3.686826761377129</td><td>3.213625752960232</td><td></td><td><a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB000388">Prunin</a> / <a href="/entries/PHUB000389">Naringin</a> / <a href="/entries/PHUB000392">Narirutin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB003018">Bergamote flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001113">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1117"><td></td><td><a href="/entries/PHUB001117">Naringenin-7-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001117</td><td>1117</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001117/image.svg" src="" /></td><td>BDCRTIDKZGEVEN-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid</td><td>448.38</td><td>1.69e+00 g/l</td><td>0.65</td><td>-2.42</td><td>InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)</td><td>OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O</td><td>-3.6868267780633714</td><td>2.7317143739005494</td><td></td><td><a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB000388">Prunin</a> / <a href="/entries/PHUB000389">Naringin</a> / <a href="/entries/PHUB000392">Narirutin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB003018">Bergamote flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001117">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1121"><td></td><td><a href="/entries/PHUB001121">Naringenin-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001121</td><td>1121</td><td>624.5095093</td><td>C<sub>27</sub>H<sub>28</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001121/image.svg" src="" /></td><td></td><td></td><td></td><td>624.132655</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB000392">Narirutin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000389">Naringin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001121">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1123"><td></td><td><a href="/entries/PHUB001123">Naringenin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001123</td><td>1123</td><td>352.320095</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001123/image.svg" src="" /></td><td></td><td></td><td></td><td>352.025292</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB003018">Bergamote flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001123">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1124"><td></td><td><a href="/entries/PHUB001124">Naringenin-sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001124</td><td>1124</td><td>528.4459545</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001124/image.svg" src="" /></td><td></td><td></td><td></td><td>528.057382</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000389">Naringin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001124">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1126"><td></td><td><a href="/entries/PHUB001126">Phloroglucinol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,3,5-trihydroxybenzene</td><td>PHUB001126</td><td>1126</td><td>126.031694053</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>1,3,5-benzoltriol; 1,3,5-trihydroxybenzene; 1,3,5-trihydroxyphenol; benzene-1,3,5-triol</td><td class="structure"><img data-src="/structures/PHUB001126/image.svg" src="" /></td><td>QCDYQQDYXPDABM-UHFFFAOYSA-N</td><td>108-73-6</td><td>benzene-1,3,5-triol</td><td>126.111</td><td>3.58e+01 g/l</td><td>0.25</td><td>-0.55</td><td>InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H</td><td>OC1=CC(O)=CC(O)=C1</td><td>-5.370308771902201</td><td>9.126324331505472</td><td></td><td><a href="/entries/PHUB000378">Eriodictyol</a> / <a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001126">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1129"><td></td><td><a href="/entries/PHUB001129">2,4,6-Trihydroxybenzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2,4,6-Trihydroxybenzoic acid</td><td>PHUB001129</td><td>1129</td><td>170.021523293</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>5</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001129/image.svg" src="" /></td><td>IBHWREHFNDMRPR-UHFFFAOYSA-N</td><td></td><td>2,4,6-trihydroxybenzoic acid</td><td>170.12</td><td>5.97e+00 g/l</td><td>1.12</td><td>-1.46</td><td>InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)</td><td>OC(=O)C1=C(O)C=C(O)C=C1O</td><td>-5.466121618950358</td><td>1.9549562512491658</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001129">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1130"><td></td><td><a href="/entries/PHUB001130">2-Methoxyphenylacetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001130</td><td>1130</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001130/image.svg" src="" /></td><td>IVEWTCACRDEAOB-UHFFFAOYSA-N</td><td></td><td>2-(2-methoxyphenyl)acetic acid</td><td>166.176</td><td>2.24e+00 g/l</td><td>1.67</td><td>-1.87</td><td>InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)</td><td>COC1=CC=CC=C1CC(O)=O</td><td>-4.836547743502821</td><td>4.11800146198128</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001130">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1132"><td></td><td><a href="/entries/PHUB001132">4-Ethylbenzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Ethylbenzoic acid</td><td>PHUB001132</td><td>1132</td><td>150.068079562</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001132/image.svg" src="" /></td><td>ZQVKTHRQIXSMGY-UHFFFAOYSA-N</td><td></td><td>4-ethylbenzoic acid</td><td>150.177</td><td>7.32e-01 g/l</td><td>2.77</td><td>-2.31</td><td>InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)</td><td>CCC1=CC=C(C=C1)C(O)=O</td><td></td><td>4.249424669368699</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001132">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1138"><td></td><td><a href="/entries/PHUB001138">Isorhamnetin 7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001138</td><td>1138</td><td>492.090390704</td><td>C<sub>22</sub>H<sub>20</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td>3'-O-Methylquercetin 7-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001138/image.svg" src="" /></td><td>BFNMTBBQGPCZCH-UHFFFAOYSA-N</td><td></td><td>6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>492.389</td><td>1.41e+00 g/l</td><td>
81.05</td><td>-2.54</td><td>InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)23)19-16(27)14(25)13-10(24)5-8(6-12(13)34-19)33-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31)</td><td>COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1</td><td>-3.6868267780685726</td><td>2.7202195866689247</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001138">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1141"><td></td><td><a href="/entries/PHUB001141">Quercetin 3'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001141</td><td>1141</td><td>478.07474064</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001141/image.svg" src="" /></td><td>LBJLXDMWOKJIPQ-JENRNSKYSA-N</td><td>328006-77-5</td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid</td><td>478.362</td><td>1.85e+00 g/l</td><td>1.03</td><td>-2.41</td><td>InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC(=C2)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.731998669970974</td><td>2.9417101101561176</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000703">Quercetin 3,4'-O-diglucoside</a> / <a href="/entries/PHUB000729">Quercetin 4'-O-glucoside</a> / <a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001141">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1143"><td></td><td><a href="/entries/PHUB001143">Quercetin 4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001143</td><td>1143</td><td>478.07474064</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001143/image.svg" src="" /></td><td>OUQZCILJSVDJFB-UHFFFAOYSA-N</td><td>201463-36-7</td><td>3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid</td><td>478.362</td><td>1.63e+00 g/l</td><td>1.05</td><td>-2.47</td><td>InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)</td><td>OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O</td><td>-3.731998669956291</td><td>2.9724194471097167</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001143">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1144"><td></td><td><a href="/entries/PHUB001144">Quercetin 7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001144</td><td>1144</td><td>478.07474064</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>13</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001144/image.svg" src="" /></td><td>JXWGCVLNCGCZRU-JENRNSKYSA-N</td><td>38934-20-2</td><td>(2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>478.362</td><td>1.71e+00 g/l</td><td>1.04</td><td>-2.45</td><td>InChI=1S/C21H18O13/c22-8-2-1-6(3-9(8)23)18-15(27)13(25)12-10(24)4-7(5-11(12)33-18)32-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C=C3)=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.7319986498043396</td><td>2.720219149452481</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001144">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1145"><td></td><td><a href="/entries/PHUB001145">Quercetin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001145</td><td>1145</td><td>478.3663081</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001145/image.svg" src="" /></td><td></td><td></td><td></td><td>478.074745</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001145">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1146"><td></td><td><a href="/entries/PHUB001146">Tamarixetin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001146</td><td>1146</td><td>318.073952791</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td>4'-O-Methyl quercetin</td><td class="structure"><img data-src="/structures/PHUB001146/image.svg" src="" /></td><td>KQNGHARGJDXHKF-UHFFFAOYSA-N</td><td></td><td>3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>318.281</td><td>7.47e-01 g/l</td><td>1.32</td><td>-2.63</td><td>InChI=1S/C16H14O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3</td><td>COC1=C(O)C=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O</td><td>-4.041072263405652</td><td>7.753962358114247</td><td></td><td><a href="/entries/PHUB000729">Quercetin 4'-O-glucoside</a> / <a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001146">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1147"><td></td><td><a href="/entries/PHUB001147">5,5'-Dicaffeic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001147</td><td>1147</td><td>358.068867411</td><td>C<sub>18</sub>H<sub>14</sub>O<sub>8</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>Caffeic acid-5-5-caffeic acid</td><td class="structure"><img data-src="/structures/PHUB001147/image.svg" src="" /></td><td>GOQXOMYMZHGINX-ZPUQHVIOSA-N</td><td></td><td>(2E)-3-{5'-[(1E)-2-carboxyeth-1-en-1-yl]-2',3',5,6-tetrahydroxy-[1,1'-biphenyl]-3-yl}prop-2-enoic acid</td><td>358.302</td><td>3.24e-02 g/l</td><td>2.89</td><td>-4.04</td><td>InChI=1S/C18H14O8/c19-13-7-9(1-3-15(21)22)5-11(17(13)25)12-6-10(2-4-16(23)24)8-14(20)18(12)26/h1-8,19-20,25-26H,(H,21,22)(H,23,24)/b3-1+,4-2+</td><td>OC(=O)\C=C\C1=CC(=C(O)C(O)=C1)C1=C(O)C(O)=CC(\C=C\C(O)=O)=C1</td><td>-6.323545653963658</td><td>3.040625227126632</td><td></td><td><a href="/entries/PHUB000600">5,5'-Diferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001147">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1148"><td></td><td><a href="/entries/PHUB001148">5,5'-Dihydroferulic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001148</td><td>1148</td><td>390.131467668</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>Dihydroferulic acid-5-5-dihydroferulic acid</td><td class="structure"><img data-src="/structures/PHUB001148/image.svg" src="" /></td><td>JRBMIJHXCZHZNJ-UHFFFAOYSA-N</td><td></td><td>3-[5'-(2-carboxyethyl)-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl]propanoic acid</td><td>390.388</td><td>1.87e-02 g/l</td><td>2.30</td><td>-4.32</td><td>InChI=1S/C20H22O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h7-10,25-26H,3-6H2,1-2H3,(H,21,22)(H,23,24)</td><td>COC1=CC(CCC(O)=O)=CC(=C1O)C1=C(O)C(OC)=CC(CCC(O)=O)=C1</td><td>-4.594969308203906</td><td>3.438773486213386</td><td></td><td><a href="/entries/PHUB000600">5,5'-Diferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001148">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1149"><td></td><td><a href="/entries/PHUB001149">Caffeic acid-5-5-dihydrocaffeic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001149</td><td>1149</td><td>360.084517475</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001149/image.svg" src="" /></td><td>WTXOKXDJISAJCN-HNQUOIGGSA-N</td><td></td><td>(2E)-3-[5'-(2-carboxyethyl)-2',3',5,6-tetrahydroxy-[1,1'-biphenyl]-3-yl]prop-2-enoic acid</td><td>360.318</td><td>5.15e-02 g/l</td><td>2.49</td><td>-3.85</td><td>InChI=1S/C18H16O8/c19-13-7-9(1-3-15(21)22)5-11(17(13)25)12-6-10(2-4-16(23)24)8-14(20)18(12)26/h1,3,5-8,19-20,25-26H,2,4H2,(H,21,22)(H,23,24)/b3-1+</td><td>OC(=O)CCC1=CC(=C(O)C(O)=C1)C1=C(O)C(O)=CC(\C=C\C(O)=O)=C1</td><td>-6.314520085774271</td><td>3.173361487163152</td><td></td><td><a href="/entries/PHUB000600">5,5'-Diferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001149">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1150"><td></td><td><a href="/entries/PHUB001150">Ferulic acid-5-5-caffeic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001150</td><td>1150</td><td>372.084517475</td><td>C<sub>19</sub>H<sub>16</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001150/image.svg" src="" /></td><td>SSKZFABYAGMNNQ-ZUVMSYQZSA-N</td><td></td><td>(2E)-3-{5'-[(1E)-2-carboxyeth-1-en-1-yl]-2',5,6-trihydroxy-3'-methoxy-[1,1'-biphenyl]-3-yl}prop-2-enoic acid</td><td>372.329</td><td>1.59e-02 g/l</td><td>3.04</td><td>-4.37</td><td>InChI=1S/C19H16O8/c1-27-15-9-11(3-5-17(23)24)7-13(19(15)26)12-6-10(2-4-16(21)22)8-14(20)18(12)25/h2-9,20,25-26H,1H3,(H,21,22)(H,23,24)/b4-2+,5-3+</td><td>COC1=CC(\C=C\C(O)=O)=CC(=C1O)C1=C(O)C(O)=CC(\C=C\C(O)=O)=C1</td><td>-4.897827781825781</td><td>3.0747162385794673</td><td></td><td><a href="/entries/PHUB000600">5,5'-Diferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001150">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1151"><td></td><td><a href="/entries/PHUB001151">Ferulic acid-5-5-dihydroferulic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001151</td><td>1151</td><td>388.115817604</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001151/image.svg" src="" /></td><td>DUNGASGYXTWIDO-HWKANZROSA-N</td><td></td><td>(2E)-3-[5'-(2-carboxyethyl)-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl]prop-2-enoic acid</td><td>388.372</td><td>1.80e-02 g/l</td><td>2.72</td><td>-4.33</td><td>InChI=1S/C20H20O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3,5,7-10,25-26H,4,6H2,1-2H3,(H,21,22)(H,23,24)/b5-3+</td><td>COC1=CC(CCC(O)=O)=CC(=C1O)C1=C(O)C(OC)=CC(\C=C\C(O)=O)=C1</td><td>-4.595882554409409</td><td>3.2450405651216117</td><td></td><td><a href="/entries/PHUB000600">5,5'-Diferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001151">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1153"><td></td><td><a href="/entries/PHUB001153">3-(4'-Hydroxy-3'-methoxyphenyl)pyruvic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001153</td><td>1153</td><td>210.052823422</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td>3-methoxy-4-hydroxyphenylpyruvic acid; 4-hydroxy-3-methoxyphenylpyruvic acid; vanilpyruvic acid</td><td class="structure"><img data-src="/structures/PHUB001153/image.svg" src="" /></td><td>YGQHQTMRZPHIBB-UHFFFAOYSA-N</td><td>1081-71-6</td><td>3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid</td><td>210.185</td><td>1.30e+00 g/l</td><td>1.36</td><td>-2.21</td><td>InChI=1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)</td><td>COC1=C(O)C=CC(CC(=O)C(O)=O)=C1</td><td>-4.892288896643812</td><td>2.7287034070532514</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001153">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1161"><td></td><td><a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3â-Hydroxyhippuric acid</td><td>PHUB001161</td><td>1161</td><td>195.053157774</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>4</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>2-(3-hydroxybenzamido)acetic acid; 3'-Hydroxyhippuric acid; N-(3-hydroxybenzoyl)glycine</td><td class="structure"><img data-src="/structures/PHUB001161/image.svg" src="" /></td><td>XDOFWFNMYJRHEW-UHFFFAOYSA-N</td><td>1637-75-8</td><td>2-[(3-hydroxyphenyl)formamido]acetic acid</td><td>195.174</td><td>2.91e+00 g/l</td><td>0.52</td><td>-1.83</td><td>InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)</td><td>OC(=O)CNC(=O)C1=CC=CC(O)=C1</td><td>-1.4147203141199358</td><td>3.2466748656262534</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000585">5-O-Caffeoylquinic acid</a> / <a href="/entries/PHUB000588">Coumaric acid (m-)</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000722">Rutin</a> / <a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001161">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1165"><td></td><td><a href="/entries/PHUB001165">Caffeic acid sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001165</td><td>1165</td><td>436.3485242</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001165/image.svg" src="" /></td><td></td><td></td><td></td><td>436.031167</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001165">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1168"><td></td><td><a href="/entries/PHUB001168">Dihydroferulic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(4'-hydroxy-3'-methoxyphenyl)propanoic acid</td><td>PHUB001168</td><td>1168</td><td>196.073558866</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3'-Methoxy-4'-hydroxyphenyl)propionic acid; 3-(4-Hydroxy-3-methoxyphenyl)dihydrocinnamic acid; 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid; 3-(4-hydroxy-3-methoxyphenyl)propionic acid; 3-(4'-hydroxy-3'-methoxyphenyl)propionic acid; hydroferulic acid</td><td class="structure"><img data-src="/structures/PHUB001168/image.svg" src="" /></td><td>BOLQJTPHPSDZHR-UHFFFAOYSA-N</td><td>1135-23-5</td><td>3-(4-hydroxy-3-methoxyphenyl)propanoic acid</td><td>196.202</td><td>1.30e+00 g/l</td><td>1.03</td><td>-2.18</td><td>InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)</td><td>COC1=CC(CCC(O)=O)=CC=C1O</td><td>-4.892121858205717</td><td>3.9524008986487043</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002656">
8Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB001447">Coffee hydroxycinnamates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001168">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1170"><td></td><td><a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3â-methoxycinnamic acid-4â-glucuronide</td><td>PHUB001170</td><td>1170</td><td>370.08999678</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3-methoxycinnamic acid-4-glucuronide; Ferulic acid-4-glucuronide; Ferulic acid-4'-glucuronide; trans-Ferulic acid glucuronide</td><td class="structure"><img data-src="/structures/PHUB001170/image.svg" src="" /></td><td>TWSIWBHKRJLZCF-XZYOHINHSA-N</td><td>86321-24-6</td><td>(2R,3R,4S,5S,6R)-6-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>370.31</td><td>3.81e+00 g/l</td><td>-0.23</td><td>-1.99</td><td>InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12+,13-,14+,16-/m0/s1</td><td>[H]\C(=C(\[H])C1=CC(OC)=C(O[C@H]2O[C@H]([C@H](O)[C@H](O)[C@@H]2O)C(O)=O)C=C1)C(O)=O</td><td>-3.6868279760638365</td><td>2.9466244035891003</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB002648">Red Raspberries Anthocyanins</a> / <a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB002642">Tomato (Poly)phenols</a> / <a href="/entries/PHUB002638">Cranberry (Poly)phenols</a> / <a href="/entries/PHUB002636">Blueberry (Poly)phenols</a> / <a href="/entries/PHUB002640">Olive oil (Poly)phenols</a> / <a href="/entries/PHUB002653">Red grape pomace (Poly)phenols</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a> / <a href="/entries/PHUB002645">Orange (Poly)phenols</a> / <a href="/entries/PHUB002652">Oat (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001170">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1171"><td></td><td><a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3â-Methoxycinnamic acid-4â-sulfate</td><td>PHUB001171</td><td>1171</td><td>274.014723836</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3-methoxycinnamic acid-4-sulfate; ferulic acid-4-sulfate; ferulic acid-4'-sulfate; trans-Ferulic acid sulfate</td><td class="structure"><img data-src="/structures/PHUB001171/image.svg" src="" /></td><td>PZPATWACAAOHTJ-HWKANZROSA-N</td><td>86321-29-1</td><td>(2E)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid</td><td>274.24</td><td>4.25e-01 g/l</td><td>-0.32</td><td>-2.81</td><td>InChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+</td><td>COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1</td><td>-4.920485309517196</td><td>-2.247037321131993</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000634">Rosmarinic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002651">
8Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002638">Cranberry (Poly)phenols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB002644">Grape (Poly)phenols</a> / <a href="/entries/PHUB002648">Red Raspberries Anthocyanins</a> / <a href="/entries/PHUB002645">Orange (Poly)phenols</a> / <a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB002642">Tomato (Poly)phenols</a> / <a href="/entries/PHUB002640">Olive oil (Poly)phenols</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a> / <a href="/entries/PHUB002653">Red grape pomace (Poly)phenols</a> / <a href="/entries/PHUB001447">Coffee hydroxycinnamates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001171">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1172"><td></td><td><a href="/entries/PHUB001172">Ferulic acid sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001172</td><td>1172</td><td>450.375513</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001172/image.svg" src="" /></td><td></td><td></td><td></td><td>450.046817</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001172">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1173"><td></td><td><a href="/entries/PHUB001173">Feruloylglycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-methoxy-4'-hydroxycinnamoyl-glycine</td><td>PHUB001173</td><td>1173</td><td>251.079372523</td><td>C<sub>12</sub>H<sub>13</sub>NO<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3ʹ-Methoxycinnamic acid-4ʹ-glycine; N-(3-methoxycoumaroyl)-glycine</td><td class="structure"><img data-src="/structures/PHUB001173/image.svg" src="" /></td><td>CLGNQAIRBLDHIN-HWKANZROSA-N</td><td>877862-83-4</td><td>2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]acetic acid</td><td>251.238</td><td>4.27e-01 g/l</td><td>1.59</td><td>-2.77</td><td>InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+</td><td>COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O</td><td>-0.7105431813130125</td><td>3.314194528574587</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002645">Orange (Poly)phenols</a> / <a href="/entries/PHUB002653">Red grape pomace (Poly)phenols</a> / <a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB002644">Grape (Poly)phenols</a> / <a href="/entries/PHUB002652">Oat (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001173">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1174"><td></td><td><a href="/entries/PHUB001174">Hippuric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hippuric acid</td><td>PHUB001174</td><td>1174</td><td>179.058243154</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>3</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>Hippurate; N-benzoylglycine</td><td class="structure"><img data-src="/structures/PHUB001174/image.svg" src="" /></td><td>QIAFMBKCNZACKA-UHFFFAOYSA-N</td><td>495-69-2</td><td>2-(phenylformamido)acetic acid</td><td>179.175</td><td>1.18e+00 g/l</td><td>0.23</td><td>-2.18</td><td>InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)</td><td>OC(=O)CNC(=O)C1=CC=CC=C1</td><td>-1.3083417398569686</td><td>3.5912387558835803</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000585">5-O-Caffeoylquinic acid</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000633">Quinic acid</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002661">Chocolate flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001174">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1176"><td></td><td><a href="/entries/PHUB001176">α-hydroxyhippuric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-2-hydroxyhippuric acid</td><td>PHUB001176</td><td>1176</td><td>195.053157774</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>2-(benzoylamino)-2-hydroxyacetic acid; 2-hydroxy-2-(phenylformamido)acetic acid; α-hydroxybenzoylglycine</td><td class="structure"><img data-src="/structures/PHUB001176/image.svg" src="" /></td><td>GCWCVCCEIQXUQU-UHFFFAOYSA-N</td><td>16555-77-4</td><td>2-hydroxy-2-(phenylformamido)acetic acid</td><td>195.174</td><td>6.98e+00 g/l</td><td>0.02</td><td>-1.45</td><td>InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)</td><td>OC(NC(=O)C1=CC=CC=C1)C(O)=O</td><td>-2.352955241206125</td><td>2.973411864866809</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001176">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1177"><td></td><td><a href="/entries/PHUB001177">4-Hydroxyphenylpropionic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(4'-Hydroxyphenyl)propanoic acid</td><td>PHUB001177</td><td>1177</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(4-Hydroxyphenyl)propanoic acid; 3-(4-Hydroxyphenyl)propionic acid; Desaminotyrosine; Dihydrocoumaric acid; Hydroxyphenylpropionate; Phloretic acid</td><td class="structure"><img data-src="/structures/PHUB001177/image.svg" src="" /></td><td>NMHMNPHRMNGLLB-UHFFFAOYSA-N</td><td>501-97-3</td><td>3-(4-hydroxyphenyl)propanoic acid</td><td>166.176</td><td>2.71e+00 g/l</td><td>1.15</td><td>-1.79</td><td>InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)</td><td>OC(=O)CCC1=CC=C(O)C=C1</td><td>-5.958297991799354</td><td>4.214213970870649</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001177">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1180"><td></td><td><a href="/entries/PHUB001180">Vanilloyl-glycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-hydroxy-3'-methoxyhippuric acid</td><td>PHUB001180</td><td>1180</td><td>225.063722458</td><td>C<sub>10</sub>H<sub>11</sub>NO<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3-methoxy-4-hydroxybenzoyl-glycine; 3'-hydroxy-4'-methoxyhippuric acid; 4'-hydroxy-3'-methoxybenzoyl-glycine; Vanilloylglycine</td><td class="structure"><img data-src="/structures/PHUB001180/image.svg" src="" /></td><td>LOODYTDRRBLQNH-UHFFFAOYSA-N</td><td>1212-04-0</td><td>2-{[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}acetic acid</td><td>225.2</td><td>7.73e-01 g/l</td><td>0.74</td><td>-2.46</td><td>InChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14)</td><td>COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O</td><td>1.3711306928118197</td><td>3.2185434702614533</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001180">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1194"><td></td><td><a href="/entries/PHUB001194">Coumaric acid-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>cinnamic acid- 3'-glucuronide</td><td>PHUB001194</td><td>1194</td><td>340.079432095</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>Coumaric acid glucuronide (m-)</td><td class="structure"><img data-src="/structures/PHUB001194/image.svg" src="" /></td><td>XPCHMFOWDFTFNV-YUVZFBOJSA-N</td><td></td><td></td><td>340.284</td><td>5.92e+00 g/l</td><td>-0.22</td><td>-1.76</td><td>InChI=1S/C15H16O9/c16-9(17)5-4-7-2-1-3-8(6-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b5-4+/t10-,11+,12-,13+,15-/m1/s1</td><td>O[C@H]1[C@H](OC2=CC(\C=C\C(O)=O)=CC=C2)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000588">Coumaric acid (m-)</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001194">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1198"><td></td><td><a href="/entries/PHUB001198">Coumaric acid-4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Cinnamic acid-4'-glucuronide</td><td>PHUB001198</td><td>1198</td><td>340.079432095</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>cinnamic acid-4-glucuronide; cinnamic acid-4-O-glucuronide; trans-Coumaric acid glucuronide</td><td class="structure"><img data-src="/structures/PHUB001198/image.svg" src="" /></td><td>SOKJXEKPKWKYKR-LZJCFMAWSA-N</td><td></td><td>(2S,3S,4R,5R,6S)-6-{4-[(1E)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>340.284</td><td>4.66e+00 g/l</td><td>-0.20</td><td>-1.86</td><td>InChI=1S/C15H16O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-3+/t10-,11+,12-,13+,15-/m1/s1</td><td>O[C@H]1[C@H](OC2=CC=C(\C=C\C(O)=O)C=C2)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O</td><td>-3.6868267613833194</td><td>3.068216278643664</td><td></td><td><a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002642">Tomato (Poly)phenols</a> / <a href="/entries/PHUB002638">Cranberry (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001198">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1199"><td></td><td><a href="/entries/PHUB001199">Coumaric acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Cinnamic acid-4â²-sulfate</td><td>PHUB001199</td><td>1199</td><td>244.004159152</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>6</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>Coumaric acid sulfate (p-)</td><td class="structure"><img data-src="/structures/PHUB001199/image.svg" src="" /></td><td>OYDCCWNLILCHDJ-ZZXKWVIFSA-N</td><td></td><td>(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid</td><td>244.22</td><td>4.33e-01 g/l</td><td>-0.45</td><td>-2.75</td><td>InChI=1S/C9H8O6S/c10-9(11)6-3-7-1-4-8(5-2-7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)/b6-3+</td><td>OC(=O)\C=C\C1=CC=C(OS(O)(=O)=O)C=C1</td><td></td><td>-2.207843112633197</td><td></td><td><a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a> / <a href="/entries/PHUB002640">Olive oil (Poly)phenols</a> / <a href="/entries/PHUB002642">Tomato (Poly)phenols</a> / <a href="/entries/PHUB002644">Grape (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001199">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1200"><td></td><td><a href="/entries/PHUB001200">Coumaric acid sulfoglucuronide (p-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001200</td><td>1200</td><td>420.3492191</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>12</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001200/image.svg" src="" /></td><td></td><td></td><td></td><td>420.036252</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000590">Coumaric acid (p-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001200">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1204"><td></td><td><a href="/entries/PHUB001204">Dihydrocaffeic acid-3'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(4'-hydroxyphenyl)propanoic acid-3'-glucuronide</td><td>PHUB001204</td><td>1204</td><td>358.08999678</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(4-hydroxyphenyl)propanoic acid-3-glucuronide; 3-(4-hydroxyphenyl)propionic acid-3-glucuronide; 3-(4'-Hydroxyphenyl)propionic acid-3'-O-glucuronide; dihydrocaffeic acid-3-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001204/image.svg" src="" /></td><td>AELQNMHOLDHBFA-VVSAWPALSA-N</td><td>1187945-71-6</td><td>(2R,3R,4R,5S,6R)-6-[5-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>358.299</td><td>8.41e+00 g/l</td><td>-0.09</td><td>-1.63</td><td>InChI=1S/C15H18O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-16,19-21H,2,4H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m1/s1</td><td>O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=CC(CCC(O)=O)=C2)O[C@H]([C@@H]1O)C(O)=O</td><td>-3.6868279761517333</td><td>3.0131597965048678</td><td></td><td><a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB001447">Coffee hydroxycinnamates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001204">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1205"><td></td><td><a href="/entries/PHUB001205">Dihydrocaffeic acid-4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3'-hydroxyphenyl)propanoic acid-4'-glucuronide</td><td>PHUB001205</td><td>1205</td><td>358.08999678</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3-hydroxyphenyl)propanoic acid-4-glucuronide; 3-(3-hydroxyphenyl)propionic acid-4-glucuronide; dihydrocaffeic acid-4-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001205/image.svg" src="" /></td><td>DUTJMLCURMYWCW-HXMBFPRCSA-N</td><td></td><td>(2S,3S,4S,5R)-6-[4-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>358.299</td><td>7.58e+00 g/l</td><td>-0.05</td><td>-1.67</td><td>InChI=1S/C15H18O10/c16-7-5-6(2-4-9(17)18)1-3-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-16,19-21H,2,4H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15?/m0/s1</td><td>O[C@@H]1[C@@H](O)C(OC2=C(O)C=C(CCC(O)=O)C=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.686827975275015</td><td>2.9585986983937547</td><td></td><td><a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001205">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1206"><td></td><td><a href="/entries/PHUB001206">Dihydrocaffeic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3'-hydroxyphenyl)propanoic acid-4'-sulfate</td><td>PHUB001206</td><td>1206</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3-hydroxyphenyl)propanoic acid-4-sulfate; 3-(3-hydroxyphenyl)propionic acid-4-sulfate; 3-(3'-Hydroxyphenyl)propionic acid-4'-O-sulfate; dihydrocaffeic acid-4-sulfate</td><td class="structure"><img data-src="/structures/PHUB001206/image.svg" src="" /></td><td>WEPNMLSXEATIJK-UHFFFAOYSA-N</td><td></td><td>3-[3-hydroxy-4-(sulfooxy)phenyl]propanoic acid</td><td>262.23</td><td>1.83e+00 g/l</td><td>-0.59</td><td>-2.16</td><td>InChI=1S/C9H10O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15)</td><td>OC(=O)CCC1=CC(O)=C(OS(O)(=O)=O)C=C1</td><td>-4.419566030754996</td><td>-2.283415431812133</td><td></td><td><a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001206">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1212"><td></td><td><a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4â-methoxycinnamic acid-3'-sulfate</td><td>PHUB001212</td><td>1212</td><td>274.014723836</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>7</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>4-methoxycinnamic acid-3-sulfate; isoferulic acid-3-sulfate; isoferulic acid-3â-sulfate</td><td class="structure"><img data-src="/structures/PHUB001212/image.svg" src="" /></td><td>DCMKMHVTKFJMAU-HWKANZROSA-N</td><td>1258842-19-1</td><td>(2E)-3-[4-methoxy-3-(sulfooxy)phenyl]prop-2-enoic acid</td><td>274.24</td><td>4.19e-01 g/l</td><td>-0.33</td><td>-2.82</td><td>InChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+</td><td>[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O</td><td>-4.91614539135131</td><td>-2.199789619611262</td><td></td><td><a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a> / <a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB002638">Cranberry (Poly)phenols</a> / <a href="/entries/PHUB002644">Grape (Poly)phenols</a> / <a href="/entries/PHUB002648">Red Raspberries Anthocyanins</a> / <a href="/entries/PHUB001447">Coffee hydroxycinnamates</a> / <a href="/entries/PHUB002652">Oat (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001212">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1218"><td></td><td><a href="/entries/PHUB001218">veratric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4-dimethoxybenzoic acid</td><td>PHUB001218</td><td>1218</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001218/image.svg" src="" /></td><td>DAUAQNGYDSHRET-UHFFFAOYSA-N</td><td>93-07-2</td><td>3,4-dimethoxybenzoic acid</td><td>182.175</td><td>1.64e+00 g/l</td><td>1.52</td><td>-2.04</td><td>InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)</td><td>COC1=C(OC)C=C(C=C1)C(O)=O</td><td>-4.607325586072669</td><td>4.142664045876814</td><td></td><td><a href="/entries/PHUB000608">Ferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001218">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1241"><td></td><td><a href="/entries/PHUB001241">(Epi)catechin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)catechin</td><td>PHUB001241</td><td>1241</td><td>290.079038171</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001241/image.svg" src="" /></td><td>PFTAWBLQPZVEMU-UHFFFAOYSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>290.271</td><td>6.45e-01 g/l</td><td>1.02</td><td>-2.65</td><td>InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2</td><td>OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C=C1</td><td>-3.2897193322428566</td><td>9.004573813837975</td><td></td><td><a href="/entries/PHUB000277">Procyanidin dimer B2</a> / <a href="/entries/PHUB000280">Procyanidin dimer B5</a> / <a href="/entries/PHUB002656">
8Cocoa Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001241">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1249"><td></td><td><a href="/entries/PHUB001249">5-(3'-Hydroxyphenyl)-gamma-valerolactone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3'-Hydroxyphenyl)-γ-valerolactone</td><td>PHUB001249</td><td>1249</td><td>192.078644246</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001249/image.svg" src="" /></td><td>VYWFHBSBNKNWSB-UHFFFAOYSA-N</td><td></td><td>5-[(3-hydroxyphenyl)methyl]oxolan-2-one</td><td>192.214</td><td>1.14e+00 g/l</td><td>1.78</td><td>-2.23</td><td>InChI=1S/C11H12O3/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)14-10/h1-3,6,10,12H,4-5,7H2</td><td>OC1=CC=CC(CC2CCC(=O)O2)=C1</td><td>-5.9643648283069695</td><td>9.458154693249535</td><td></td><td><a href="/entries/PHUB000277">Procyanidin dimer B2</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001249">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1251"><td></td><td><a href="/entries/PHUB001251">Hydroxyprocyanidin B2</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001251</td><td>1251</td><td>594.5294478</td><td>C<sub>30</sub>H<sub>26</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001251/image.svg" src="" /></td><td></td><td></td><td></td><td>594.137345</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000277">Procyanidin dimer B2</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001251">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1254"><td></td><td><a href="/entries/PHUB001254">3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001254</td><td>1254</td><td>330.058696651</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001254/image.svg" src="" /></td><td>CXNFDJSOAJNKSU-ACQMTVLSSA-N</td><td></td><td>(3S,4S,5R,6R)-6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>330.245</td><td>1.59e+01 g/l</td><td>-0.12</td><td>-1.32</td><td>InChI=1S/C13H14O10/c14-5-2-1-4(11(18)19)3-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10?,13-/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=CC(=C2)C(O)=O)OC([C@H]1O)C(O)=O</td><td>-3.6868279772037007</td><td>2.749706024743302</td><td></td><td><a href="/entries/PHUB000483">Cyanidin</a> / <a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB000505">Pelargonidin</a> / <a href="/entries/PHUB000506">Pelargonidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001254">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1255"><td></td><td><a href="/entries/PHUB001255">4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001255</td><td>1255</td><td>330.058696651</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001255/image.svg" src="" /></td><td>NLCBCVGRBFNEJE-ACQMTVLSSA-N</td><td></td><td>(3S,4S,5R,6R)-6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>330.245</td><td>1.50e+01 g/l</td><td>-0.06</td><td>-1.34</td><td>InChI=1S/C13H14O10/c14-5-3-4(11(18)19)1-2-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10?,13-/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O</td><td>-3.686827975281689</td><td>2.852048226812377</td><td></td><td><a href="/entries/PHUB000483">Cyanidin</a> / <a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB000505">Pelargonidin</a> / <a href="/entries/PHUB000506">Pelargonidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001255">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1256"><td></td><td><a href="/entries/PHUB001256">4-(1-Carboxyphenyl)beta-D-glucuronic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001256</td><td>1256</td><td>314.063782031</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001256/image.svg" src="" /></td><td>DKNOHNCMCYDVLT-ACQMTVLSSA-N</td><td></td><td>(3S,4S,5R,6R)-6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>314.246</td><td>1.14e+01 g/l</td><td>-0.56</td><td>-1.44</td><td>InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-5(2-4-6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10?,13-/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@@H](OC2=CC=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O</td><td>-3.686826761383488</td><td>3.0259087917497633</td><td></td><td><a href="/entries/PHUB000483">Cyanidin</a> / <a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB000505">Pelargonidin</a> / <a href="/entries/PHUB000506">Pelargonidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001256">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1257"><td></td><td><a href="/entries/PHUB001257">Peonidin 3-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001257</td><td>1257</td><td>463.123487981</td><td>C<sub>22</sub>H<sub>23</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>3'-Methylcyanidin 3-glucoside</td><td class="structure"><img data-src="/structures/PHUB001257/image.svg" src="" /></td><td>ZZWPMFROUHHAKY-OTVISBKVSA-O</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>463.414</td><td>4.18e-01 g/l</td><td>1.18</td><td>-3.08</td><td>InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m0/s1</td><td>COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810923799280262</td><td>6.395525209261993</td><td></td><td><a href="/entries/PHUB001257">Peonidin 3-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001257">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1258"><td></td><td><a href="/entries/PHUB001258">2-Hydroxy-4-methoxybenzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-Hydroxy-4-methoxybenzoic acid</td><td>PHUB001258</td><td>1258</td><td>168.042258738</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-methoxysalicylic acid</td><td class="structure"><img data-src="/structures/PHUB001258/image.svg" src="" /></td><td>MRIXVKKOHPQOFK-UHFFFAOYSA-N</td><td></td><td>2-hydroxy-4-methoxybenzoic acid</td><td>168.148</td><td>3.47e+00 g/l</td><td>1.82</td><td>-1.68</td><td>InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)</td><td>COC1=CC(O)=C(C=C1)C(O)=O</td><td>-4.856035694706828</td><td>3.085730456933127</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001258">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1260"><td></td><td><a href="/entries/PHUB001260">Protocatechualdehyde</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4-dihydroxybenzaldehyde</td><td>PHUB001260</td><td>1260</td><td>138.031694053</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3,4-Dihydroxybenzaldehyde</td><td class="structure"><img data-src="/structures/PHUB001260/image.svg" src="" /></td><td>IBGBGRVKPALMCQ-UHFFFAOYSA-N</td><td>139-85-5</td><td>3,4-dihydroxybenzaldehyde</td><td>138.122</td><td>1.43e+01 g/l</td><td>0.89</td><td>-0.99</td><td>InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H</td><td>OC1=CC=C(C=O)C=C1O</td><td>-6.3251866246434325</td><td>7.459808177531965</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001260">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1268"><td></td><td><a href="/entries/PHUB001268">4-Methoxybenzaldehyde</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001268</td><td>1268</td><td>136.052429498</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB001268/image.svg" src="" /></td><td>ZRSNZINYAWTAHE-UHFFFAOYSA-N</td><td></td><td>4-methoxybenzaldehyde</td><td>136.15</td><td>1.71e+00 g/l</td><td>1.64</td><td>-1.90</td><td>InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3</td><td>COC1=CC=C(C=O)C=C1</td><td>-4.835276846406351</td><td></td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001268">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1270"><td></td><td><a href="/entries/PHUB001270">Cyanidin 3-glucoside glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001270</td><td>1270</td><td>639.5444741</td><td>C<sub>28</sub>H<sub>31</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001270/image.svg" src="" /></td><td></td><td></td><td></td><td>639.15613</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001270">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1271"><td></td><td><a href="/entries/PHUB001271">Cyanidin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001271</td><td>1271</td><td>477.4019678</td><td>C<sub>22</sub>H<sub>21</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001271/image.svg" src="" /></td><td></td><td></td><td></td><td>477.103305</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB000483">Cyanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001271">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1274"><td></td><td><a href="/entries/PHUB001274">Isopeonidin 3-glucoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001274</td><td>1274</td><td>463.123487981</td><td>C<sub>22</sub>H<sub>23</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>4'-Methylcyanidin 3-glucoside</td><td class="structure"><img data-src="/structures/PHUB001274/image.svg" src="" /></td><td>CNTWHHYMFNSRNJ-OTVISBKVSA-O</td><td></td><td>5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>463.414</td><td>4.29e-01 g/l</td><td>1.19</td><td>-3.07</td><td>InChI=1S/C22H22O11/c1-30-14-3-2-9(4-13(14)26)21-16(7-11-12(25)5-10(24)6-15(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m0/s1</td><td>COC1=C(O)C=C(C=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810923799280262</td><td>6.399039990648554</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001274">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1275"><td></td><td><a href="/entries/PHUB001275">Isopeonidin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001275</td><td>1275</td><td>491.4289566</td><td>C<sub>23</sub>H<sub>23</sub>O<sub>12</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>4'-Methylcyanidin monoglucuronide</td><td class="structure"><img data-src="/structures/PHUB001275/image.svg" src="" /></td><td></td><td></td><td></td><td>491.118955</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001275">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1276"><td></td><td><a href="/entries/PHUB001276">Isovanillic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-4-methoxybenzoic acid</td><td>PHUB001276</td><td>1276</td><td>168.042258738</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3-Hydroxy-4-methoxybenzoic acid</td><td class="structure"><img data-src="/structures/PHUB001276/image.svg" src="" /></td><td>LBKFGYZQBSGRHY-UHFFFAOYSA-N</td><td>645-08-9</td><td>3-hydroxy-4-methoxybenzoic acid</td><td>168.148</td><td>4.42e+00 g/l</td><td>1.81</td><td>-1.58</td><td>InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)</td><td>COC1=CC=C(C=C1O)C(O)=O</td><td>-4.911668652620585</td><td>4.147477192001137</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001276">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1277"><td></td><td>
8<a href="/entries/PHUB001277">Isovanillic acid-3-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-methoxybenzoic acid-3-glucuronide</td><td>PHUB001277</td><td>1277</td><td>344.074346715</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-Methyoxybenzoic acid-3-glucuronide; 4-Methyoxybenzoic acid-3-O-glucuronide; Isovanillic acid-3-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001277/image.svg" src="" /></td><td>WREVRVHLTSYMIJ-UHFFFAOYSA-N</td><td></td><td>6-(5-carboxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>344.272</td><td>9.87e+00 g/l</td><td>-0.65</td><td>-1.54</td><td>InChI=1S/C14H16O10/c1-22-6-3-2-5(12(18)19)4-7(6)23-14-10(17)8(15)9(16)11(24-14)13(20)21/h2-4,8-11,14-17H,1H3,(H,18,19)(H,20,21)</td><td>COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(C=C1)C(O)=O</td><td>-3.6868279779861006</td><td>2.8302259686292097</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower">
8<a class="btn-show" href="/entries/PHUB001277">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1278"><td></td><td><a href="/entries/PHUB001278">Isovanillic acid-3-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-methoxybenzoic acid-3-sulfate</td><td>PHUB001278</td><td>1278</td><td>247.999073772</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-Methoxybenzoic acid-3-sulfate; Isovanillic acid-3-sulfate</td><td class="structure"><img data-src="/structures/PHUB001278/image.svg" src="" /></td><td>VSFFJSSUGMYRMP-UHFFFAOYSA-N</td><td></td><td>4-methoxy-3-(sulfooxy)benzoic acid</td><td>248.21</td><td>2.13e+00 g/l</td><td>-0.73</td><td>-2.07</td><td>InChI=1S/C8H8O7S/c1-14-6-3-2-5(8(9)10)4-7(6)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)</td><td>COC1=C(OS(O)(=O)=O)C=C(C=C1)C(O)=O</td><td>-4.9398952684319335</td><td>-2.5612623605674067</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001278">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1279"><td></td><td><a href="/entries/PHUB001279">Methyl-3,4-dihydroxybenzoate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001279</td><td>1279</td><td>168.042258738</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001279/image.svg" src="" /></td><td>CUFLZUDASVUNOE-UHFFFAOYSA-N</td><td></td><td>methyl 3,4-dihydroxybenzoate</td><td>168.148</td><td>5.44e+00 g/l</td><td>1.40</td><td>-1.49</td><td>InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3</td><td>COC(=O)C1=CC=C(O)C(O)=C1</td><td>-5.8415162311460165</td><td>8.563514116163246</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001279">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1280"><td></td><td><a href="/entries/PHUB001280">Methylcyanidin 3-glucoside-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001280</td><td>1280</td><td>653.5714628</td><td>C<sub>29</sub>H<sub>33</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001280/image.svg" src="" /></td><td></td><td></td><td></td><td>653.17178</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001280">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1281"><td></td><td><a href="/entries/PHUB001281">Methylcyanidin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001281</td><td>1281</td><td>491.4289566</td><td>C<sub>23</sub>H<sub>23</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001281/image.svg" src="" /></td><td></td><td></td><td></td><td>491.118955</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB000483">Cyanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001281">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1282"><td></td><td><a href="/entries/PHUB001282">Methylvanillate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001282</td><td>1282</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB001282/image.svg" src="" /></td><td>BVWTXUYLKBHMOX-UHFFFAOYSA-N</td><td></td><td>methyl 4-hydroxy-3-methoxybenzoate</td><td>182.175</td><td>3.57e+00 g/l</td><td>2.12</td><td>-1.71</td><td>InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3</td><td>COC(=O)C1=CC(OC)=C(O)C=C1</td><td>-4.896925778812261</td><td>8.99693700044588</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001282">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1284"><td></td><td><a href="/entries/PHUB001284">Peonidin 3-glucoside glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001284</td><td>1284</td><td>653.5714628</td><td>C<sub>29</sub>H<sub>33</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>3'-Methylcyanidin 3-glucoside glucuronide</td><td class="structure"><img data-src="/structures/PHUB001284/image.svg" src="" /></td><td></td><td></td><td></td><td>653.17178</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001284">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1285"><td></td><td><a href="/entries/PHUB001285">Peonidin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001285</td><td>1285</td><td>491.4289566</td><td>C<sub>23</sub>H<sub>23</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>3'-Methylcyanidin glucuronide</td><td class="structure"><img data-src="/structures/PHUB001285/image.svg" src="" /></td><td></td><td></td><td></td><td>491.118955</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB001626">Peonidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001285">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1286"><td></td><td><a href="/entries/PHUB001286">Phloroglucinaldehyde</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2,4,6-trihydroxybenzaldehyde</td><td>PHUB001286</td><td>1286</td><td>154.026608673</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>4</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>2,4,6-Trihydroxybenzaldehyde</td><td class="structure"><img data-src="/structures/PHUB001286/image.svg" src="" /></td><td>BTQAJGSMXCDDAJ-UHFFFAOYSA-N</td><td>487-70-7</td><td>2,4,6-trihydroxybenzaldehyde</td><td>154.121</td><td>8.00e+00 g/l</td><td>0.70</td><td>-1.29</td><td>InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H</td><td>OC1=CC(O)=C(C=O)C(O)=C1</td><td>-5.397152537401682</td><td>7.480858379003446</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001286">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1288"><td></td><td><a href="/entries/PHUB001288">Protocatechuic acid-3-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-hydroxybenzoic acid-3-glucuronide</td><td>PHUB001288</td><td>1288</td><td>330.058696651</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-hydroxybenzoic acid-3-glucuronide; 4-Hydroxybenzoic acid-3-O-glucuronide; Protocatechuic acid-3-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001288/image.svg" src="" /></td><td>CXNFDJSOAJNKSU-UHFFFAOYSA-N</td><td>953037-17-7</td><td>6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>330.245</td><td>1.59e+01 g/l</td><td>-0.12</td><td>-1.32</td><td>InChI=1S/C13H14O10/c14-5-2-1-4(11(18)19)3-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)</td><td>OC1C(O)C(OC2=C(O)C=CC(=C2)C(O)=O)OC(C1O)C(O)=O</td><td>-3.6868279772037007</td><td>2.7497060247433</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001288">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1289"><td></td><td><a href="/entries/PHUB001289">Protocatechuic acid-3-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-hydroxybenzoic acid-3-sulfate</td><td>PHUB001289</td><td>1289</td><td>233.983423707</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-Hydroxybenzoic acid-3-sulfate; Protocatechuic acid-3-sulfate</td><td class="structure"><img data-src="/structures/PHUB001289/image.svg" src="" /></td><td>GSFKEOSQCKWCLH-UHFFFAOYSA-N</td><td></td><td>4-hydroxy-3-(sulfooxy)benzoic acid</td><td>234.18</td><td>3.06e+00 g/l</td><td>-0.71</td><td>-1.88</td><td>InChI=1S/C7H6O7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)</td><td>OC(=O)C1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td>-4.517435120762647</td><td>-2.6957594299758703</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001289">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1290"><td></td><td><a href="/entries/PHUB001290">Protocatechuic acid-4-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxybenzoic acid-4-glucuronide</td><td>PHUB001290</td><td>1290</td><td>330.058696651</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>10</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3-hydroxybenzoic acid-4-glucuronide; 3-Hydroxybenzoic acid-4-O-glucuronide; Protocatechuic acid-4-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001290/image.svg" src="" /></td><td>NLCBCVGRBFNEJE-UHFFFAOYSA-N</td><td></td><td>6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>330.245</td><td>1.50e+01 g/l</td><td>-0.06</td><td>-1.34</td><td>InChI=1S/C13H14O10/c14-5-3-4(11(18)19)1-2-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)</td><td>OC1C(O)C(OC2=C(O)C=C(C=C2)C(O)=O)OC(C1O)C(O)=O</td><td>-3.686827975281689</td><td>2.852048226812377</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001290">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1291"><td></td><td><a href="/entries/PHUB001291">Protocatechuic acid-4-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxybenzoic acid-4-sulfate</td><td>PHUB001291</td><td>1291</td><td>233.983423707</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3-Hydroxybenzoic acid-4-sulfate; Protocatechuic acid-4-sulfate</td><td class="structure"><img data-src="/structures/PHUB001291/image.svg" src="" /></td><td>NGQYUDIZIPNWJV-UHFFFAOYSA-N</td><td>76496-12-3</td><td>3-hydroxy-4-(sulfooxy)benzoic acid</td><td>234.18</td><td>3.04e+00 g/l</td><td>-0.74</td><td>-1.89</td><td>InChI=1S/C7H6O7S/c8-5-3-4(7(9)10)1-2-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)</td><td>OC(=O)C1=CC(O)=C(OS(O)(=O)=O)C=C1</td><td>-4.463335649553196</td><td>-2.6927450756577653</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001291">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1293"><td></td><td><a href="/entries/PHUB001293">Vanillic acid 4-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-methoxybenzoic acid-4-glucuronide</td><td>PHUB001293</td><td>1293</td><td>344.074346715</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3-Methoxybenzoic acid-4-O-glucuronide; Vanillic acid-4-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001293/image.svg" src="" /></td><td>MBNPZIKKKDDLLL-UHFFFAOYSA-N</td><td></td><td>6-(5-carboxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>344.272</td><td></td><td></td><td></td><td>InChI=1S/C15H18O9/c1-6-10(16)11(17)12(14(20)21)24-15(6)23-8-4-3-7(13(18)19)5-9(8)22-2/h3-6,10-12,15-17H,1-2H3,(H,18,19)(H,20,21)</td><td>COC1=CC=C(C=C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O</td><td>-3.6868279779861006</td><td>2.8302259686292097</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001293">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1294"><td></td><td><a href="/entries/PHUB001294">Vanillic acid-4-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-methoxybenzoic acid-4-sulfate</td><td>PHUB001294</td><td>1294</td><td>247.999073772</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>7</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3-Methoxybenzoic acid-4-sulfate; Vanillic acid-4-sulfate</td><td class="structure"><img data-src="/structures/PHUB001294/image.svg" src="" /></td><td>TXRKUXPAEPOCIX-UHFFFAOYSA-N</td><td>71235-86-4</td><td>3-methoxy-4-(sulfooxy)benzoic acid</td><td>248.21</td><td>2.38e+00 g/l</td><td>-0.77</td><td>-2.02</td><td>InChI=1S/C8H8O7S/c1-14-7-4-5(8(9)10)2-3-6(7)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)</td><td>COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)=O</td><td>-4.929206541662974</td><td>-2.5583886644089846</td><td></td><td><a href="/entries/PHUB000503">Cyanidin 3-O-glucoside</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB000316">Vanillic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001294">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1295"><td></td><td><a href="/entries/PHUB001295">Isopeonidin 3-rutinoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001295</td><td>1295</td><td>609.181396783</td><td>C<sub>28</sub>H<sub>33</sub>O<sub>15</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>4'-Methylcyanidin 3-rutinoside</td><td class="structure"><img data-src="/structures/PHUB001295/image.svg" src="" /></td><td>CLKYQBTVJZYKOK-JEHDHEKGSA-O</td><td></td><td>5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2R,5R)-3,4,5-trihydroxy-6-({[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>609.556</td><td>7.38e-01 g/l</td><td>0.79</td><td>-2.94</td><td>InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-14(30)6-12(29)7-17(13)41-26(18)11-3-4-16(38-2)15(31)5-11/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10?,19?,20-,21+,22-,23?,24?,25?,27+,28+/m1/s1</td><td>[H]C1=C(O[C@H]2OC(CO[C@H]3OC(C)[C@@H](O)[C@@H](O)C3O)[C@H](O)C(O)C2O)C(=[O+]C2=CC(O)=CC(O)=C12)C1=CC=C(OC)C(O)=C1</td><td>-3.6486860595724386</td><td>6.399039422873525</td><td></td><td><a href="/entries/PHUB000504">Cyanidin 3-O-rutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001295">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1296"><td></td><td><a href="/entries/PHUB001296">Peonidin 3-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001296</td><td>1296</td><td>609.181396783</td><td>C<sub>28</sub>H<sub>33</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>3'-Methylcyanidin 3-rutinoside</td><td class="structure"><img data-src="/structures/PHUB001296/image.svg" src="" /></td><td>ONQVTPMFYSRRLL-JEHDHEKGSA-O</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2R,5R)-3,4,5-trihydroxy-6-({[(2S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>609.556</td><td>7.21e-01 g/l</td><td>0.77</td><td>-2.95</td><td>InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-15(31)6-12(29)7-16(13)41-26(18)11-3-4-14(30)17(5-11)38-2/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)
8/p+1/t10?,19?,20-,21+,22-,23?,24?,25?,27+,28+/m1/s1</td><td>[H]C1=C(O[C@H]2OC(CO[C@H]3OC(C)[C@@H](O)[C@@H](O)C3O)[C@H](O)C(O)C2O)C(=[O+]C2=CC(O)=CC(O)=C12)C1=CC=C(O)C(OC)=C1</td><td>-3.6486860595724386</td><td>6.39552464605778</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001296">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1303"><td></td><td><a href="/entries/PHUB001303">Pelargonidin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001303</td><td>1303</td><td>461.4026627</td><td>C<sub>22</sub>H<sub>21</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001303/image.svg" src="" /></td><td></td><td></td><td></td><td>461.10839</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000506">Pelargonidin 3-O-glucoside</a> / <a href="/entries/PHUB000505">Pelargonidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001303">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1304"><td></td><td><a href="/entries/PHUB001304">Pelargonidin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001304</td><td>1304</td><td>351.3121191</td><td>C<sub>15</sub>H<sub>11</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001304/image.svg" src="" /></td><td></td><td></td><td></td><td>351.017467</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000506">Pelargonidin 3-O-glucoside</a> / <a href="/entries/PHUB000505">Pelargonidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001304">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1307"><td></td><td><a href="/entries/PHUB001307">Hydroquinone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001307</td><td>1307</td><td>110.036779433</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001307/image.svg" src="" /></td><td>QIGBRXMKCJKVMJ-UHFFFAOYSA-N</td><td></td><td>benzene-1,4-diol</td><td>110.112</td><td>9.55e+01 g/l</td><td>0.71</td><td>-0.06</td><td>InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H</td><td>OC1=CC=C(O)C=C1</td><td>-5.887165947200476</td><td>9.676283592749463</td><td></td><td><a href="/entries/PHUB000568">Arbutin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001307">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1308"><td></td><td><a href="/entries/PHUB001308">Estragole</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001308</td><td>1308</td><td>148.088815006</td><td>C<sub>10</sub>H<sub>12</sub>O</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-Allyl-4-methoxybenzene; 4-Allylanisole; Methylchavicol</td><td class="structure"><img data-src="/structures/PHUB001308/image.svg" src="" /></td><td>ZFMSMUAANRJZFM-UHFFFAOYSA-N</td><td>140-67-0</td><td>1-methoxy-4-(prop-2-en-1-yl)benzene</td><td>148.205</td><td>7.50e-02 g/l</td><td>3.23</td><td>-3.30</td><td>InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3</td><td>COC1=CC=C(CC=C)C=C1</td><td>-4.824706527194951</td><td></td><td><a href="/food_sources/65">Fennel</a> / <a href="/food_sources/271">Star anise</a> / <a href="/food_sources/145">Sweet basil</a> / <a href="/food_sources/276">Tarragon</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001308">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1309"><td></td><td><a href="/entries/PHUB001309">Hydroquinone glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001309</td><td>1309</td><td>286.068867411</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB001309/image.svg" src="" /></td><td>KCWGTTYNHQOGSJ-GOVZDWNOSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxane-2-carboxylic acid</td><td>286.236</td><td>2.98e+01 g/l</td><td>-0.57</td><td>-0.98</td><td>InChI=1S/C12H14O8/c13-5-1-3-6(4-2-5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.68682676142487</td><td>3.078385532042692</td><td></td><td><a href="/entries/PHUB000568">Arbutin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001309">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1310"><td></td><td><a href="/entries/PHUB001310">Hydroquinone sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001310</td><td>1310</td><td>189.993594467</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB001310/image.svg" src="" /></td><td>FPXPQMOQWJZYBL-UHFFFAOYSA-N</td><td></td><td>(4-hydroxyphenyl)oxidanesulfonic acid</td><td>190.17</td><td>5.86e+00 g/l</td><td>-0.88</td><td>-1.51</td><td>InChI=1S/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)</td><td>OC1=CC=C(OS(O)(=O)=O)C=C1</td><td>-5.953792236729969</td><td>-2.4583959376494575</td><td></td><td><a href="/entries/PHUB000568">Arbutin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001310">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1311"><td></td><td><a href="/entries/PHUB001311">Quercetin diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001311</td><td>1311</td><td></td><td>C<sub>27</sub>H<sub>26</sub>O<sub>19</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001311/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000703">Quercetin 3,4'-O-diglucoside</a> / <a href="/entries/PHUB000729">Quercetin 4'-O-glucoside</a> / <a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001311">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1312"><td></td><td><a href="/entries/PHUB001312">Methylquercetin diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001312</td><td>1312</td><td></td><td>C<sub>28</sub>H<sub>28</sub>O<sub>19</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001312/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001312">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1313"><td></td><td><a href="/entries/PHUB001313">Quercetin glucose glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001313</td><td>1313</td><td></td><td>C<sub>27</sub>H<sub>28</sub>O<sub>18</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001313/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000729">Quercetin 4'-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001313">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1314"><td></td><td><a href="/entries/PHUB001314">Quercetin sulfo-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001314</td><td>1314</td><td></td><td>C<sub>21</sub>H<sub>18</sub>O<sub>16</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001314/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000703">Quercetin 3,4'-O-diglucoside</a> / <a href="/entries/PHUB000729">Quercetin 4'-O-glucoside</a> / <a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001314">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1315"><td></td><td><a href="/entries/PHUB001315">Isorhamnetin 4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001315</td><td>1315</td><td>492.090390704</td><td>C<sub>22</sub>H<sub>20</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001315/image.svg" src="" /></td><td>NCHMCZDLVWDQLC-YWQONGFDSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid</td><td>492.389</td><td>1.23e+00 g/l</td><td>1.02</td><td>-2.60</td><td>InChI=1S/C22H20O13/c1-32-11-4-7(19-16(27)14(25)13-9(24)5-8(23)6-12(13)33-19)2-3-10(11)34-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31)/t15-,17-,18+,20-,22+/m0/s1</td><td>COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1</td><td>-3.6868279760639147</td><td>3.057958653352221</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001315">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1316"><td></td><td><a href="/entries/PHUB001316">Quercetin 3'-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001316</td><td>1316</td><td>381.999467696</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>10</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001316/image.svg" src="" /></td><td>OSCLBBUATYLBQA-UHFFFAOYSA-N</td><td></td><td>[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid</td><td>382.3</td><td>5.16e-01 g/l</td><td>0.65</td><td>-2.87</td><td>InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)</td><td>OC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td>-4.099795737806822</td><td>-2.633347173143474</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000703">Quercetin 3,4'-O-diglucoside</a> / <a href="/entries/PHUB000729">Quercetin 4'-O-glucoside</a> / <a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001316">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1317"><td></td><td><a href="/entries/PHUB001317">Quercetin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001317</td><td>1317</td><td></td><td>C<sub>15</sub>H<sub>10</sub>O<sub>10</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001317/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001317">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1318"><td></td><td><a href="/entries/PHUB001318">Kaempferol 3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001318</td><td>1318</td><td>462.07982602</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001318/image.svg" src="" /></td><td>FNTJVYCFNVUBOL-ZUGPOPFOSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>462.363</td><td>1.96e+00 g/l</td><td>1.40</td><td>-2.37</td><td>InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.686829748042031</td><td>2.7116346228792803</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001318">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1320"><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001320</td><td>1320</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001320/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001069">3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid</a> / <a href="/entries/PHUB001048">3'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001168">Dihydroferulic acid</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB001331">3-(3'-Hydroxyphenyl)hydracrylic acid</a> / <a href="/entries/PHUB001332">3-(3'-Methoxy-4'-hydroxyphenyl)hydracrylic acid</a> / <a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001333">3'-Hydroxyphenylacetic acid-4-glucuronide</a> / <a href="/entries/PHUB001334">4-Hydroxyhippuric acid</a> / <a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000617">
8Homovanillic acid</a> / <a href="/entries/PHUB001335">Hippuric acid glucuronide</a> / <a href="/entries/PHUB001336">4'-Hydroxyphenylpropionic acid glucuronide</a> / <a href="/entries/PHUB001337">4'-Hydroxyphenylacetic acid-3'- glucuronide</a> / <a href="/entries/PHUB001198">Coumaric acid-4'-O-glucuronide</a> / <a href="/entries/PHUB000295">p-Hydroxybenzoic acid</a> / <a href="/entries/PHUB001339">Hydroxybenzoic acid glucuronide (p-)</a> / <a href="/entries/PHUB001340">Homovanillic acid glucuronide</a> / <a href="/entries/PHUB001375">Homovanillic acid sulfate</a> / <a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001433">Dihydroisoferulic acid</a> / <a href="/entries/PHUB001068">Phenylacetic acid</a> / <a href="/entries/PHUB001078">3-Phenylpropionic acid</a> / <a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB001177">4-Hydroxyphenylpropionic acid</a> / <a href="/entries/PHUB001584">4-Hydroxymandelic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB002140">3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid</a> / <a href="/entries/PHUB001085">Eriodictyol sulfate</a> / <a href="/entries/PHUB001092">Hesperetin-3'-glucuronide</a> / <a href="/entries/PHUB001094">Hesperetin-3'-sulfate</a> / <a href="/entries/PHUB001100">Hesperetin glucuronide</a> / <a href="/entries/PHUB001102">Hesperetin sulfoglucuronide</a> / <a href="/entries/PHUB001113">Naringenin-4'-glucuronide</a> / <a href="/entries/PHUB001117">Naringenin-7-glucuronide</a> / <a href="/entries/PHUB001121">Naringenin-diglucuronide</a> / <a href="/entries/PHUB001920">3'-Methoxy-4'-hydroxyphenylacetic acid</a> / <a href="/entries/PHUB000527">3',4'-Dihydroxyphenylacetic acid</a> / <a href="/entries/PHUB001921">3-Hydroxybenzoic acid-4-sulfate</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB000387">Naringenin</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001436">Dihydroferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001592">Dihydroisoferulic acid-3'-O-sulfate</a> / <a href="/entries/PHUB001105">Homoeriodictyol</a> / <a href="/entries/PHUB002144">Naringenin-4'-sulfate</a> / <a href="/entries/PHUB001123">Naringenin-sulfate</a> / <a href="/entries/PHUB002143">Naringenin-7- sulfate</a> / <a href="/entries/PHUB002116">Methoxyphenylacetic acid-O-glucuronide</a> / <a href="/entries/PHUB001434">Dihydroisoferulic acid-3'-glucuronide</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001435">Dihydroferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001104">Hesperetin-5-sulfate</a> / <a href="/entries/PHUB002141">Hesperetin-7-sulfate</a> / <a href="/entries/PHUB002118">Naringenin-glucuronide</a> / <a href="/entries/PHUB001083">Eriodictyol-glucuronide</a> / <a href="/entries/PHUB001098">Hesperetin-7-glucuronide</a> / <a href="/entries/PHUB002113">Hesperetin-5-glucuronide</a> / <a href="/entries/PHUB001124">Naringenin-sulfoglucuronide</a> / <a href="/entries/PHUB002115">Eriodictyol-glucuronyl-sulfate</a> / <a href="/entries/PHUB002109">Naringenin-4´,7-diglucuronide</a> / <a href="/entries/PHUB002111">Naringenin-4',5-diglucuronide</a> / <a href="/entries/PHUB002110">Naringenin-5,7-diglucuronide</a> / <a href="/entries/PHUB002119">Hesperetin-3´,5-diglucuronide</a> / <a href="/entries/PHUB001090">Hesperetin-3',7-diglucuronide</a> / <a href="/entries/PHUB001096">Hesperetin 5,7-diglucuronide</a> / <a href="/entries/PHUB002117">Hesperetin-diglucuronide</a> / <a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a> / <a href="/entries/PHUB000310">Protocatechuic acid</a> / <a href="/entries/PHUB000588">Coumaric acid (m-)</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB000316">Vanillic acid</a> / <a href="/entries/PHUB001276">Isovanillic acid</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001585">Vanillylmandelic acid</a> / <a href="/entries/PHUB001583">Benzoic acid-4-O-sulfate</a> / <a href="/entries/PHUB002231">Benzoic acid-3-sulfate</a> / <a href="/entries/PHUB001291">Protocatechuic acid-4-O-sulfate</a> / <a href="/entries/PHUB001289">Protocatechuic acid-3-O-sulfate</a> / <a href="/entries/PHUB001199">Coumaric acid-4'-sulfate</a> / <a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a> / <a href="/entries/PHUB001918">caffeic acid-4-O-sulfate</a> / <a href="/entries/PHUB001206">Dihydrocaffeic acid-4'-sulfate</a> / <a href="/entries/PHUB001588">Dihydrocaffeic acid-3-sulfate</a> / <a href="/entries/PHUB001290">Protocatechuic acid-4-O-glucuronide</a> / <a href="/entries/PHUB001194">Coumaric acid-3'-glucuronide</a> / <a href="/entries/PHUB001586">3-Phenylpropionic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001916">caffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001917">caffeic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001205">Dihydrocaffeic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001204">Dihydrocaffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB002227">3-(Phenyl)propionic acid-4â²-sulfate</a> / <a href="/entries/PHUB002286">3-(phenyl)propionic acid-3â²-sulfate</a> / <a href="/entries/PHUB002287">
8hydroxyphenylacetic acid-4â²-sulfate</a> / <a href="/entries/PHUB002288">hydroxyphenylacetic acid-3â²-sulfate</a> / <a href="/entries/PHUB002228">3â²-Methoxyphenylacetic acid-4â²-sulfate</a> / <a href="/entries/PHUB002229">4â²-Methoxyphenylacetic acid-3â²-sulfate</a> / <a href="/entries/PHUB000618">Homoveratric acid</a> / <a href="/entries/PHUB002490">Hesperetin-O-glucosyl-sulfate</a> / <a href="/entries/PHUB003020">3-Methoxy-4-hydroxyphenylhydracrylic acid</a> / <a href="/entries/PHUB002802">3-(phenyl)-propionic acid-3â-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001320">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1321"><td></td><td><a href="/entries/PHUB001321">3'-Hydroxytyrosol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2-(3',4'-dihydroxyphenyl)ethanol</td><td>PHUB001321</td><td>1321</td><td>154.062994182</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Polyphenol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-Dihydroxyphenyl)ethanol; 2-(3,4-hydroxyphenyl)ethanol; 3-Hydroxytyrosol; 3,4-dihydroxyphenethyl alcohol; 3,4-Dihydroxyphenylethanol; 4-(2-Hydroxyethyl)-1,2-benzenediol; 4-hydroxyphenethyl alcohol; DOPET; homoprotocatechuyl alcohol</td><td class="structure"><img data-src="/structures/PHUB001321/image.svg" src="" /></td><td>JUUBCHWRXWPFFH-UHFFFAOYSA-N</td><td>10597-60-1</td><td>4-(2-hydroxyethyl)benzene-1,2-diol</td><td>154.165</td><td>1.74e+01 g/l</td><td>0.13</td><td>-0.95</td><td>InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2</td><td>OCCC1=CC=C(O)C(O)=C1</td><td>-2.4099441681107265</td><td>9.44823645704384</td><td><a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/101">Olive, green</a></td><td><a href="/entries/PHUB002387">Hydroxytyrosol 3'-sulfate</a> / <a href="/entries/PHUB002391">Hydroxytyrosol 3'-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001321">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1322"><td></td><td><a href="/entries/PHUB001322">Phloridzin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001322</td><td>1322</td><td>436.136946973</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>Phloretin 2'-glucoside; Phloretin-2'-β-D-glucopyranoside; Phlorizin</td><td class="structure"><img data-src="/structures/PHUB001322/image.svg" src="" /></td><td>IOUVKUPGCMBWBT-QNDFHXLGSA-N</td><td>60-81-1</td><td>1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one</td><td>436.413</td><td>1.21e+00 g/l</td><td>0.44</td><td>-2.56</td><td>InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981092346304827</td><td>7.869757606252412</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a> / <a href="/food_sources/371">Apple sauce</a> / <a href="/food_sources/43">Common hazelnut</a> / <a href="/food_sources/222">Hazelnut</a> / <a href="/food_sources/347">Pomegranate juice</a> / <a href="/food_sources/370">Prune Juice</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB001344">Phloretin</a> / <a href="/entries/PHUB001322">Phloridzin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001322">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1323"><td></td><td><a href="/entries/PHUB001323">Dihydro-resveratrol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>Dihydroresveratrol</td><td>PHUB001323</td><td>1323</td><td>230.094294311</td><td>C<sub>14</sub>H<sub>14</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Stilbenes</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4',5-trihydroxybibenzyl; 5-(4-hydroxyphenethyl)benzene-1,3-diol; dihydro-3,4',5-trihydroxystilbene</td><td class="structure"><img data-src="/structures/PHUB001323/image.svg" src="" /></td><td>HITJFUSPLYBJPE-UHFFFAOYSA-N</td><td>58436-28-5</td><td>5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol</td><td>230.263</td><td>8.12e-02 g/l</td><td>2.45</td><td>-3.45</td><td>InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2</td><td>OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1</td><td>-5.442613297531203</td><td>9.30352527101386</td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/294">White wine</a></td><td><a href="/entries/PHUB001413">Dihydro-resveratrol-3-O-glucuronide</a> / <a href="/entries/PHUB001414">Dihydro-resveratrol-3-O-sulfate</a> / <a href="/entries/PHUB001535">Dihydro-resveratrol-glucuronide</a> / <a href="/entries/PHUB001534">Dihydro-resveratrol sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001323">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1331"><td></td><td><a href="/entries/PHUB001331">3-(3'-Hydroxyphenyl)hydracrylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-3-hydroxy-3-(3'-hydroxyphenyl)propanoic acid</td><td>PHUB001331</td><td>1331</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3-Hydroxyphenyl)-3-hydroxypropionic acid; 3-(3-hydroxyphenyl)hydracrylic acid; 3-(3'-hydroxyphenyl)-3-hydroxypropionic acid; 3-(3'-hydroxyphenyl)hydracrylic acid; 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid; 3-hydroxy-3-(3-hydroxyphenyl)propionic acid; 3-hydroxy-3-(3'-hydroxyphenyl)propionic acid; m-Hydroxyphenylhydracrylic acid; β-m-Hydroxyphenylhydracrylic acid; β,m-dihydroxyphenylpropionic acid</td><td class="structure"><img data-src="/structures/PHUB001331/image.svg" src="" /></td><td>KHTAGVZHYUZYMF-UHFFFAOYSA-N</td><td>3247-75-4</td><td>3-hydroxy-3-(3-hydroxyphenyl)propanoic acid</td><td>182.175</td><td>6.31e+00 g/l</td><td>0.68</td><td>-1.46</td><td>InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13)</td><td>OC(CC(O)=O)C1=CC(O)=CC=C1</td><td>-3.1637676884793557</td><td>3.9429308279967894</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001331">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1332"><td></td><td><a href="/entries/PHUB001332">3-(3'-Methoxy-4'-hydroxyphenyl)hydracrylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3'-Methoxy-4'-hydroxyphenyl)hydracrylic acid</td><td>PHUB001332</td><td>1332</td><td>212.068473486</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001332/image.svg" src="" /></td><td>ABTZMSOARGMKMK-UHFFFAOYSA-N</td><td></td><td>3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid</td><td>212.201</td><td>3.34e+00 g/l</td><td>0.97</td><td>-1.80</td><td>InChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)11)8(12)5-10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)</td><td>COC1=C(O)C=CC(=C1)C(O)CC(O)=O</td><td>-3.1595126978225747</td><td>3.7405664628653024</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001332">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1333"><td></td><td><a href="/entries/PHUB001333">
83'-Hydroxyphenylacetic acid-4-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001333</td><td>1333</td><td>344.074346715</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001333/image.svg" src="" /></td><td>RVIUQHYENGKVCZ-BYNIDDHOSA-N</td><td></td><td></td><td>344.272</td><td></td><td></td><td></td><td>InChI=1S/C14H16O9/c15-8(16)5-6-2-1-3-7(4-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14,17-19H,5H2,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC(CC(O)=O)=C2)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001333">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1334"><td></td><td><a href="/entries/PHUB001334">4-Hydroxyhippuric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
84â-hydroxhippuric acid</td><td>PHUB001334</td><td>1334</td><td>195.053157774</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>2-(4-hydroxybenzamido)acetic acid; 4-Hydroxyhippurate; 4'-Hydroxyhippuric acid; N-(4-hydroxybenzoyl)glycine</td><td class="structure"><img data-src="/structures/PHUB001334/image.svg" src="" /></td><td>ZMHLUFWWWPBTIU-UHFFFAOYSA-N</td><td>2482-25-9</td><td>2-[(4-hydroxyphenyl)formamido]acetic acid</td><td>195.174</td><td>2.63e+00 g/l</td><td>0.44</td><td>-1.87</td><td>InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)</td><td>OC(=O)CNC(=O)C1=CC=C(O)C=C1</td><td>-1.1703331113622057</td><td>3.238573183597331</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000722">Rutin</a> / <a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002661">Chocolate flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001334">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1335"><td></td><td><a href="/entries/PHUB001335">Hippuric acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001335</td><td>1335</td><td></td><td>C<sub>15</sub>H<sub>16</sub>NO<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001335/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001335">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1337"><td></td><td><a href="/entries/PHUB001337">4'-Hydroxyphenylacetic acid-3'- glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001337</td><td>1337</td><td>344.074346715</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001337/image.svg" src="" /></td><td>RVIUQHYENGKVCZ-HVOVEWBRNA-N</td><td></td><td></td><td>344.272</td><td></td><td></td><td></td><td>InChI=1/C14H16O10/c15-6-2-1-5(4-8(16)17)3-7(6)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14-15,18-20H,4H2,(H,16,17)(H,21,22)/t9-,10-,11+,12-,14+/s2</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC(CC(O)=O)=C2)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001337">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1340"><td></td><td><a href="/entries/PHUB001340">Homovanillic acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
83'-methoxyphenylacetic acid-4'-glucuronide</td><td>PHUB001340</td><td>1340</td><td>358.08999678</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>3'-Methoxy-4'-hydroxyphenylacetic acid glucuronide</td><td class="structure"><img data-src="/structures/PHUB001340/image.svg" src="" /></td><td>CXBMXYMXMRBMJY-DKBOKBLXSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{[4-(carboxymethyl)-2-methoxyphenylidene]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>358.299</td><td>6.51e+00 g/l</td><td>-0.63</td><td>-1.74</td><td>InChI=1S/C15H18O10/c1-23-8-4-6(5-9(16)17)2-3-7(8)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,10-13,15,18-20H,5H2,1H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1</td><td>[H][C@@]1(OC2=C(OC)C=C(CC(O)=O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.6868279760573466</td><td>2.9773414080285465</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001340">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1344"><td></td><td><a href="/entries/PHUB001344">Phloretin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001344</td><td>1344</td><td>274.084123551</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>2,6-dihydroxy-4-methoxyacetophenone; 4-O-methylphloracetophenone; 4,2',4',6'-tetrahydroxydihydrochalcone; dihydronaringenin; phloretol</td><td class="structure"><img data-src="/structures/PHUB001344/image.svg" src="" /></td><td>VGEREEWJJVICBM-UHFFFAOYSA-N</td><td>60-82-2</td><td>3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one</td><td>274.272</td><td>1.32e-01 g/l</td><td>2.23</td><td>-3.32</td><td>InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2</td><td>OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1</td><td>-4.608418822447718</td><td>7.958485348511623</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a></td><td><a href="/entries/PHUB001345">Phloretin-2'-glucuronide</a> / <a href="/entries/PHUB001344">Phloretin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001344">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1345"><td></td><td><a href="/entries/PHUB001345">Phloretin-2'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Phloretin-2â²-glucuronide</td><td>PHUB001345</td><td>1345</td><td>450.116211528</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>Phloretin-2â²-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001345/image.svg" src="" /></td><td>YFJJAJIWPWXWJJ-ZFORQUDYSA-N</td><td>123685-24-5</td><td>(2S,3S,4S,5R,6S)-6-{3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>450.396</td><td>1.47e+00 g/l</td><td>1.40</td><td>-2.49</td><td>InChI=1S/C21H22O11/c22-10-4-1-9(2-5-10)3-6-12(24)15-13(25)7-11(23)8-14(15)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h1-2,4-5,7-8,16-19,21-23,25-28H,3,6H2,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.686827060574213</td><td>2.8221312982956257</td><td></td><td><a href="/entries/PHUB001344">Phloretin</a> / <a href="/entries/PHUB002018">Apple dihydrochalcones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001345">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1346"><td></td><td><a href="/entries/PHUB001346">Dehydrotomatine glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001346</td><td>1346</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Steroid alkaloids (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001346/image.svg" src="" /></td><td></td><td></td><td></td><td>1208.184</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001346">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1347"><td></td><td><a href="/entries/PHUB001347">Tomatidine O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001347</td><td>1347</td><td>591.377117671</td><td>C<sub>33</sub>H<sub>53</sub>NO<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Steroid alkaloids (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001347/image.svg" src="" /></td><td>XVWJOTFMZZCZTI-ZPLVESJYSA-N</td><td></td><td>(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(5'S,6S,7S,9S,13S,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidine]oxy]oxane-2-carboxylic acid</td><td>591.786</td><td>8.39e-03 g/l</td><td>2.99</td><td>-4.85</td><td>InChI=1S/C33H53NO8/c1-16-7-12-33(34-15-16)17(2)24-23(42-33)14-22-20-6-5-18-13-19(8-10-31(18,3)21(20)9-11-32(22,24)4)40-30-27(37)25(35)26(36)28(41-30)29(38)39/h16-28,30,34-37H,5-15H2,1-4H3,(H,38,39)/t16-,17-,18?,19-,20?,21?,22?,23?,24?,25-,26-,27+,28-,30+,31-,32-,33-/m0/s1</td><td>C[C@H]1C2C(CC3C4CCC5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@@]11CC[C@H](C)CN1</td><td>9.540754010296128</td><td>3.1672439746126795</td><td></td><td><a href="/entries/PHUB000855">Tomatidine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001347">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1352"><td></td><td><a href="/entries/PHUB001352">Catechol-2-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxybenzene-1-sulfate</td><td>PHUB001352</td><td>1352</td><td>189.993594467</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td>(2-hydroxyphenyl) hydrogen sulfate; pyrocatechol sulfate</td><td class="structure"><img data-src="/structures/PHUB001352/image.svg" src="" /></td><td>MZPWKJZDOCIALD-UHFFFAOYSA-N</td><td>4918-96-1</td><td>(2-hydroxyphenyl)oxidanesulfonic acid</td><td>190.17</td><td>6.23e+00 g/l</td><td>-0.81</td><td>-1.48</td><td>InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)</td><td>OC1=C(OS(O)(=O)=O)C=CC=C1</td><td>-4.411754007231043</td><td>-2.4303544254527973</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001352">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1353"><td></td><td><a href="/entries/PHUB001353">Daidzein 7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001353</td><td>1353</td><td>430.08999678</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001353/image.svg" src="" /></td><td>MMIBOZXVZLENRZ-ZFORQUDYSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid</td><td>430.365</td><td>9.50e-01 g/l</td><td>1.02</td><td>-2.66</td><td>InChI=1S/C21H18O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.686826769727992</td><td>2.8784079689673567</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001353">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1354"><td></td><td><a href="/entries/PHUB001354">Daidzein 4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001354</td><td>1354</td><td>430.08999678</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001354/image.svg" src="" /></td><td>ATUYSKUVHUPXBV-ZFORQUDYSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-4H-chromen-3-yl)phenoxy]oxane-2-carboxylic acid</td><td>430.365</td><td>8.48e-01 g/l</td><td>1.06</td><td>-2.71</td><td>InChI=1S/C21H18O10/c22-10-3-6-12-14(7-10)29-8-13(15(12)23)9-1-4-11(5-2-9)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=CC(O)=CC=C3C2=O)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.686826761383337</td><td>3.18624805580845</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001354">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1355"><td></td><td><a href="/entries/PHUB001355">Daidzein 7-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001355</td><td>1355</td><td>334.014723836</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001355/image.svg" src="" /></td><td>AUXMRGLXSPIQNV-UHFFFAOYSA-N</td><td></td><td>[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid</td><td>334.3</td><td>1.69e-01 g/l</td><td>0.65</td><td>-3.30</td><td>InChI=1S/C15H10O7S/c16-10-3-1-9(2-4-10)13-8-21-14-7-11(22-23(18,19)20)5-6-12(14)15(13)17/h1-8,16H,(H,18,19,20)</td><td>OC1=CC=C(C=C1)C1=COC2=C(C=CC(OS(O)(=O)=O)=C2)C1=O</td><td>-5.339974332588979</td><td>-2.5134485880842328</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001355">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1356"><td></td><td><a href="/entries/PHUB001356">Dihydrodaidzein</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001356</td><td>1356</td><td>256.073558866</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td>7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)chroman-4-one; 7,4'-dihydroxyisoflavanone</td><td class="structure"><img data-src="/structures/PHUB001356/image.svg" src="" /></td><td>JHYXBPPMXZIHKG-UHFFFAOYSA-N</td><td>17238-05-0</td><td>7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>256.257</td><td>1.35e-01 g/l</td><td>2.77</td><td>-3.28</td><td>InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2</td><td>OC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O</td><td>-4.906004166215412</td><td>7.775319556174</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001356">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1357"><td></td><td><a href="/entries/PHUB001357">Dihydrodaidzein 7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001357</td><td>1357</td><td>432.105646844</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001357/image.svg" src="" /></td><td>SMUUTIXQVTUCJD-DNPGXZAYSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid</td><td>432.381</td><td>1.45e+00 g/l</td><td>0.58</td><td>-2.48</td><td>InChI=1S/C21H20O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-7,13,16-19,21-22,24-26H,8H2,(H,27,28)/t13?,16-,17-,18+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=O)C(COC3=C2)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.6868267697227934</td><td>2.8716364378114054</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001357">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1358"><td></td><td><a href="/entries/PHUB001358">2'-Hydroxydaidzein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001358</td><td>1358</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001358/image.svg" src="" /></td><td>ZCTNPCRBEWXCGP-UHFFFAOYSA-N</td><td></td><td>3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one</td><td>270.24</td><td>1.22e-01 g/l</td><td>3.00</td><td>-3.35</td><td>InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H</td><td>OC1=CC(O)=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O</td><td>-5.33753710016622</td><td>6.469292865925954</td><td><a href="/food_sources/18">Broad bean</a> / <a href="/food_sources/33">Chickpea</a> / <a href="/food_sources/40">Common bean</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/88">Lentils</a> / <a href="/food_sources/139">Soy bean</a> / <a href="/food_sources/268">Soy milk</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001358">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1359"><td></td><td><a href="/entries/PHUB001359">Biochanin A-7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001359</td><td>1359</td><td>460.100561464</td><td>C<sub>22</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001359/image.svg" src="" /></td><td>KXYGEGYBMOCKNJ-SXFAUFNYSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid</td><td>460.391</td><td></td><td></td><td></td><td>InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)12-8-31-14-7-11(6-13(23)15(14)16(12)24)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1</td><td>[H][C@@]1(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(OC)C=C3)=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.686826778068561</td><td>2.7386132527602247</td><td></td><td><a href="/entries/PHUB000220">Biochanin A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001359">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1360"><td></td><td><a href="/entries/PHUB001360">Biochanin A 7-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001360</td><td>1360</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001360/image.svg" src="" /></td><td></td><td></td><td></td><td>364.267</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000220">Biochanin A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001360">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1361"><td></td><td><a href="/entries/PHUB001361">2,3-Dihydrobiochanin A</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001361</td><td>1361</td><td>286.084123551</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001361/image.svg" src="" /></td><td>XPZQBSCTDLGDBP-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>286.283</td><td>9.91e-02 g/l</td><td>2.92</td><td>-3.46</td><td>InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3</td><td>COC1=CC=C(C=C1)C1COC2=C(C(O)=CC(O)=C2)C1=O</td><td>-4.567069058524732</td><td>7.8509311825442545</td><td></td><td><a href="/entries/PHUB000220">Biochanin A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001361">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1362"><td></td><td><a href="/entries/PHUB001362">Formononetin 7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001362</td><td>1362</td><td>462.116211528</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>11</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001362/image.svg" src="" /></td><td>UVZMCLOUNSXDMB-WWRSYIAVSA-N</td><td></td><td></td><td>462.407</td><td></td><td></td><td></td><td>InChI=1S/C23H24O10/c1-31-11-4-2-10(3-5-11)14-9-32-16-7-12(6-15(24)18(16)19(14)25)33-17-8-13(23(29)30)20(26)22(28)21(17)27/h2-7,13-14,17,20-22,24,26-28H,8-9H2,1H3,(H,29,30)/t13-,14?,17+,20+,21-,22-/m0/s1</td><td>COC1=CC=C(C=C1)C1COC2=C(C(O)=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C2)C1=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000224">Formononetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001362">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1363"><td></td><td><a href="/entries/PHUB001363">Formononetin 7-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001363</td><td>1363</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001363/image.svg" src="" /></td><td></td><td></td><td></td><td>348.268</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000224">Formononetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001363">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1364"><td></td><td><a href="/entries/PHUB001364">Dihydroformononetin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001364</td><td>1364</td><td>270.089208931</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001364/image.svg" src="" /></td><td>INYISIYHXQDCPK-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>270.284</td><td>8.44e-02 g/l</td><td>3.01</td><td>-3.51</td><td>InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3</td><td>COC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O</td><td>-4.562453771107251</td><td>7.783726898189255</td><td></td><td><a href="/entries/PHUB000224">Formononetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001364">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1365"><td></td><td><a href="/entries/PHUB001365">Calycosin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001365</td><td>1365</td><td>284.068473486</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001365/image.svg" src="" /></td><td>ZZAJQOPSWWVMBI-UHFFFAOYSA-N</td><td>20575-57-9</td><td>7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one</td><td>284.267</td><td>5.53e-02 g/l</td><td>3.37</td><td>-3.71</td><td>InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3</td><td>COC1=C(O)C=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O</td><td>-4.763080973713113</td><td>6.477056367920937</td><td><a href="/food_sources/33">Chickpea</a> / <a href="/food_sources/365">Red clover</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001365">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1366"><td></td><td><a href="/entries/PHUB001366">Dihydrogenistein</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001366</td><td>1366</td><td>272.068473486</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001366/image.svg" src="" /></td><td>UQGVUYNHDKMLSE-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>272.256</td><td></td><td></td><td></td><td>InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2</td><td>OC1=CC=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O</td><td>-4.91625021070632</td><td>7.841130759303693</td><td></td><td><a href="/entries/PHUB000226">Genistin</a> / <a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001366">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1367"><td></td><td><a href="/entries/PHUB001367">Genistein 7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001367</td><td>1367</td><td>446.0849114</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001367/image.svg" src="" /></td><td>JIVINIISUDEORF-ZFORQUDYSA-N</td><td>38482-81-4</td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid</td><td>446.364</td><td></td><td></td><td></td><td>InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.686826778068561</td><td>2.7386133342715886</td><td></td><td><a href="/entries/PHUB000225">Genistein</a> / <a href="/entries/PHUB000226">Genistin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001367">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1369"><td></td><td><a href="/entries/PHUB001369">6'-Hydroxy-O-desmethylangolensin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001369</td><td>1369</td><td>274.084123551</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001369/image.svg" src="" /></td><td>IEFUAUZFJJOQMC-UHFFFAOYSA-N</td><td></td><td>2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one</td><td>274.272</td><td>1.73e-01 g/l</td><td>2.53</td><td>-3.20</td><td>InChI=1S/C15H14O5/c1-8(9-2-4-10(16)5-3-9)15(20)14-12(18)6-11(17)7-13(14)19/h2-8,16-19H,1H3</td><td>CC(C(=O)C1=C(O)C=C(O)C=C1O)C1=CC=C(O)C=C1</td><td>-4.6123264061474645</td><td>7.933863276329214</td><td></td><td><a href="/entries/PHUB000225">Genistein</a> / <a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001369">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1371"><td></td><td><a href="/entries/PHUB001371">Tyrosol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2-(4'-hydroxyphenyl)ethanol</td><td>PHUB001371</td><td>1371</td><td>138.068079562</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>2-(4-Hydroxyethyl)phenol; 2-(4-hydroxyphenyl)ethanol; 4-(2-Hydroxyethyl)phenol; 4-Hydroxyphenethyl alcohol; 4-hydroxyphenyl alcohol; p-HPEA</td><td class="structure"><img data-src="/structures/PHUB001371/image.svg" src="" /></td><td>YCCILVSKPBXVIP-UHFFFAOYSA-N</td><td>501-94-0</td><td>4-(2-hydroxyethyl)phenol</td><td>138.166</td><td>2.53e+01 g/l</td><td>0.85</td><td>-0.74</td><td>InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2</td><td>OCCC1=CC=C(O)C=C1</td><td>-2.4009234189336803</td><td>10.20403264247904</td><td><a href="/food_sources/14">Beer</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td><a href="/entries/PHUB001373">Tyrosol 4-sulfate</a> / <a href="/entries/PHUB002389">Tyrosol glucuronide</a> / <a href="/entries/PHUB002671">4-Methoxy-phenylethanol glucuronide</a> / <a href="/entries/PHUB002670">4-Methoxy-phenylethanol sulfate</a> / <a href="/entries/PHUB002229">4â²-Methoxyphenylacetic acid-3â²-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001371">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1373"><td></td><td><a href="/entries/PHUB001373">Tyrosol 4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001373</td><td>1373</td><td>218.024894596</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB001373/image.svg" src="" /></td><td>VCRXMIQBQGCAAL-UHFFFAOYSA-N</td><td></td><td>[4-(2-hydroxyethyl)phenyl]oxidanesulfonic acid</td><td>218.22</td><td>2.34e+00 g/l</td><td>-1.19</td><td>-1.97</td><td>InChI=1S/C8H10O5S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4,9H,5-6H2,(H,10,11,12)</td><td>OCCC1=CC=C(OS(O)(=O)=O)C=C1</td><td>-2.4224113856573446</td><td>-2.002915678106377</td><td></td><td><a href="/entries/PHUB001371">Tyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001373">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1375"><td></td><td><a href="/entries/PHUB001375">Homovanillic acid sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-phenylacetic acid-sulfate</td><td>PHUB001375</td><td>1375</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001375/image.svg" src="" /></td><td>IACOAKYXFIWAQN-UHFFFAOYSA-N</td><td></td><td>2-[3-methoxy-4-(sulfooxy)phenyl]acetic acid</td><td>262.23</td><td>1.34e+00 g/l</td><td>-0.75</td><td>-2.29</td><td>InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)</td><td>COC1=C(OS(O)(=O)=O)C=CC(CC(O)=O)=C1</td><td>-4.9191687375379445</td><td>-2.246608083148126</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002678">Virgin olive oil Secoiridoids</a> / <a href="/entries/PHUB001698">Hydroxytyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001375">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1376"><td></td><td><a href="/entries/PHUB001376">Oleocanthal</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001376</td><td>1376</td><td>304.131073744</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(â)-oleocanthal; 2-(4-Hydroxyphenyl)ethyl 4-formyl-3-formylmethyl-4-hexenoate; 4-Formyl-3-(formylmethyl)-4-hexenoic acid; (4-Hydroxyphenyl)ethyl ester; p-HPEA-EDA</td><td class="structure"><img data-src="/structures/PHUB001376/image.svg" src="" /></td><td>VPOVFCBNUOUZGG-VAKDEWRISA-N</td><td>289030-99-5</td><td>2-(4-hydroxyphenyl)ethyl (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate</td><td>304.342</td><td></td><td></td><td></td><td>InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-/t15-/m0/s1</td><td>CC=C(C=O)[C@@H](CC=O)CC(=O)OCCC1=CC=C(O)C=C1</td><td>-4.4058193553500145</td><td>9.503740968057729</td><td><a href="/food_sources/413">Extra Virgin Olive oil</a> / <a href="/food_sources/102">Olive oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001376">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1377"><td></td><td><a href="/entries/PHUB001377">Vanillin 4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001377</td><td>1377</td><td>232.004159152</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001377/image.svg" src="" /></td><td>OUIKMDRGUNIXSP-UHFFFAOYSA-N</td><td></td><td>(4-formyl-2-methoxyphenyl)oxidanesulfonic acid</td><td>232.21</td><td>9.61e-01 g/l</td><td>-0.75</td><td>-2.38</td><td>InChI=1S/C8H8O6S/c1-13-8-4-6(5-9)2-3-7(8)14-15(10,11)12/h2-5H,1H3,(H,10,11,12)</td><td>COC1=C(OS(O)(=O)=O)C=CC(C=O)=C1</td><td>-4.922969912838491</td><td>-2.470975062056742</td><td></td><td><a href="/entries/PHUB000645">Vanillin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001377">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1378"><td></td><td><a href="/entries/PHUB001378">Trigonelline</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>Trigonelline</td><td>PHUB001378</td><td>1378</td><td>137.047678469</td><td>C<sub>7</sub>H<sub>7</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Purines and pyrimidines</td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>1-Methylpyridin-1-ium-3-carboxylate; caffearine; coffearin; gynesine; N-methylnicotinate; Nicotinic acid betaine; Nicotinic acid N-methylbetaine; Trigenolline</td><td class="structure"><img data-src="/structures/PHUB001378/image.svg" src="" /></td><td>WWNNZCOKKKDOPX-UHFFFAOYSA-N</td><td>535-83-1</td><td>1-methylpyridin-1-ium-3-carboxylate</td><td>137.138</td><td></td><td></td><td></td><td>InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3</td><td>C[N+]1=CC=CC(=C1)C([O-])=O</td><td></td><td>3.3829632948236523</td><td><a href="/food_sources/2">Alfalfa</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/33">Chickpea</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/46">Common pea</a> / <a href="/food_sources/66">Fenugreek</a> / <a href="/food_sources/88">Lentils</a> / <a href="/food_sources/100">Oat</a> / <a href="/food_sources/122">Potato</a> / <a href="/food_sources/125">Pumpkin</a> / <a href="/food_sources/346">Roasted coffee</a> / <a href="/food_sources/140">Spinach</a></td><td><a href="/entries/PHUB001378">Trigonelline</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001378">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1379"><td></td><td><a href="/entries/PHUB001379">Alkenylresorcinol C19:0</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001379</td><td>1379</td><td>376.334130657</td><td>C<sub>25</sub>H<sub>44</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Alkenylresorcinol</td><td class="structure"><img data-src="/structures/PHUB001379/image.svg" src="" /></td><td>PUNOCEUUYUXUGR-UHFFFAOYSA-N</td><td></td><td>5-nonadecylbenzene-1,3-diol</td><td>376.625</td><td>8.49e-05 g/l</td><td>9.33</td><td>-6.65</td><td>InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/13">Barley</a> / <a href="/food_sources/51">Common wheat</a> / <a href="/food_sources/135">Rye</a></td><td><a href="/entries/PHUB001380">5-(3,5-dihydroxyphenyl)pentanoic acid</a> / <a href="/entries/PHUB001382">3-(3,5-Dihydroxyphenyl)propionic acid glucuronide</a> / <a href="/entries/PHUB001383">3,5-Dihydroxyphenylpropanoic acid sulfate</a> / <a href="/entries/PHUB001384">2-(3,5-Dihydroxybenzamido)acetic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001379">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1380"><td></td><td><a href="/entries/PHUB001380">5-(3,5-dihydroxyphenyl)pentanoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001380</td><td>1380</td><td>224.104858995</td><td>C<sub>12</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-DHPPTA; 5-(3',5'-dihydroxyphenyl)pentanoic acid; 5-(3',5'-dihydroxyphenyl)valeric acid</td><td class="structure"><img data-src="/structures/PHUB001380/image.svg" src="" /></td><td>HWTXVJSKWWSVDJ-UHFFFAOYSA-N</td><td>74356-41-5</td><td>6-(3,5-dihydroxyphenyl)hexanoic acid</td><td>224.256</td><td></td><td></td><td></td><td>InChI=1S/C12H16O4/c13-10-6-9(7-11(14)8-10)4-2-1-3-5-12(15)16/h6-8,13-14H,1-5H2,(H,15,16)</td><td>OC(=O)CCCCCC1=CC(O)=CC(O)=C1</td><td>-5.665057929352898</td><td>3.9930505466693</td><td></td><td><a href="/entries/PHUB001379">Alkenylresorcinol C19:0</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001380">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1381"><td></td><td><a href="/entries/PHUB001381">3-(3,5-Dihydroxyphenyl)propanoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3',5'-dihydroxyphenyl)propanoic acid</td><td>PHUB001381</td><td>1381</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(3,5-dihydroxyphenyl)propionic acid; 3-(3',5'-dihydroxyphenyl)propionic acid; 3,5-dihydroxy-dihydrocinnamic acid; 3,5-dihydroxy-hydrocinnamic acid; 3,5-dihydroxybenzenepropanoic acid; DHPPA</td><td class="structure"><img data-src="/structures/PHUB001381/image.svg" src="" /></td><td>ITPFIKQWNDGDLG-UHFFFAOYSA-N</td><td>26539-01-5</td><td>3-(3,5-dihydroxyphenyl)propanoic acid</td><td>182.175</td><td></td><td></td><td></td><td>InChI=1S/C9H10O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,10-11H,1-2H2,(H,12,13)</td><td>OC(=O)CCC1=CC(O)=CC(O)=C1</td><td>-5.670873250005126</td><td>3.817707159108314</td><td></td><td><a href="/entries/PHUB000556">5-Nonadecylresorcinol</a></td><td></td><td class="shower">
8<a class="btn-show" href="/entries/PHUB001381">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1382"><td></td><td><a href="/entries/PHUB001382">3-(3,5-Dihydroxyphenyl)propionic acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td> 3-(3,5-Dihydroxyphenyl)propionic acid glucuronide</td><td>PHUB001382</td><td>1382</td><td>358.08999678</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-Dihydroxyphenylpropanoic acid 3-glucuronide; 3,5-Dihydroxyphenylpropanoic acid glucuronide; DHPPA glucuronide</td><td class="structure"><img data-src="/structures/PHUB001382/image.svg" src="" /></td><td>IITQLVPAMWYCDQ-DKBOKBLXSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{[3-(2-carboxyethyl)-5-hydroxyphenylidene]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>358.299</td><td>7.26e+00 g/l</td><td>-0.07</td><td>-1.69</td><td>InChI=1S/C15H18O10/c16-7-3-6(1-2-9(17)18)4-8(5-7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h3-5,10-13,15-16,19-21H,1-2H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m0/s1</td><td>[H][C@@]1(OC2=CC(CCC(O)=O)=CC(O)=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.6868267705830644</td><td>3.000753159478173</td><td></td><td><a href="/entries/PHUB001379">Alkenylresorcinol C19:0</a> / <a href="/entries/PHUB002977">3,5-Dihydroxybenzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001382">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1383"><td></td><td><a href="/entries/PHUB001383">3,5-Dihydroxyphenylpropanoic acid sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>sulfo 3-(3,5-dihydroxyphenyl)propanoate</td><td>PHUB001383</td><td>1383</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(3,5-Dihydroxyphenyl)-1-propanoate sulfate; 3-(3,5-Dihydroxyphenyl)-1-propanoic acid sulfuric acid; 3-(3,5-Dihydroxyphenyl)-1-propanoic acid sulphuric acid; 3,5-Dihydroxyphenylpropionic acid sulfate; DHPPA 3-sulfate</td><td class="structure"><img data-src="/structures/PHUB001383/image.svg" src="" /></td><td>QAWYVDUSIDSFJS-UHFFFAOYSA-N</td><td></td><td>3-[3-hydroxy-5-(sulfooxy)phenyl]propanoic acid</td><td>262.23</td><td></td><td></td><td></td><td>InChI=1S/C9H10O7S/c10-7-3-6(1-2-9(11)12)4-8(5-7)16-17(13,14)15/h3-5,10H,1-2H2,(H,11,12)(H,13,14,15)</td><td>OC(=O)CCC1=CC(OS(O)(=O)=O)=CC(O)=C1</td><td>-6.03553276976076</td><td>-2.2433266750103025</td><td></td><td><a href="/entries/PHUB001379">Alkenylresorcinol C19:0</a> / <a href="/entries/PHUB002977">3,5-Dihydroxybenzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001383">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1384"><td></td><td><a href="/entries/PHUB001384">2-(3,5-Dihydroxybenzamido)acetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001384</td><td>1384</td><td>211.048072394</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-DHBA glycine</td><td class="structure"><img data-src="/structures/PHUB001384/image.svg" src="" /></td><td>RJGLFRQXIDISBX-UHFFFAOYSA-N</td><td></td><td>2-[(3,5-dihydroxyphenyl)formamido]acetic acid</td><td>211.173</td><td>2.89e+00 g/l</td><td>0.59</td><td>-1.86</td><td>InChI=1S/C9H9NO5/c11-6-1-5(2-7(12)3-6)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)</td><td>OC(=O)CNC(=O)C1=CC(O)=CC(O)=C1</td><td>-1.5210434683260423</td><td>2.970498539592333</td><td></td><td><a href="/entries/PHUB001379">Alkenylresorcinol C19:0</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001384">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1385"><td></td><td><a href="/entries/PHUB001385">Secoisolariciresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001385</td><td>1385</td><td>362.172938557</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001385/image.svg" src="" /></td><td>PUETUDUXMCLALY-HOTGVXAUSA-N</td><td></td><td>(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol</td><td>362.422</td><td></td><td></td><td></td><td>InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1</td><td>COC1=C(O)C=CC(C[C@@H](CO)[C@H](CO)CC2=CC(OC)=C(O)C=C2)=C1</td><td>-2.6032091933503647</td><td>9.963198441804694</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/9">Asparagus</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/185">Capers</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/200">Cocoa powder</a> / <a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/56">Cucumber</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/162">Garlic</a> / <a href="/food_sources/73">Ginger</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/85">Kiwi</a> / <a href="/food_sources/242">Multigrain bread</a> / <a href="/food_sources/101">Olive, green</a> / <a href="/food_sources/259">Rose hip</a> / <a href="/food_sources/135">Rye</a> / <a href="/food_sources/145">Sweet basil</a> / <a href="/food_sources/149">Sweet orange</a></td><td><a href="/entries/PHUB001386">Enterodiol</a> / <a href="/entries/PHUB001387">Enterolactone</a> / <a href="/entries/PHUB001385">Secoisolariciresinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001385">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1386"><td></td><td><a href="/entries/PHUB001386">Enterodiol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001386</td><td>1386</td><td>302.151809188</td><td>C<sub>18</sub>H<sub>22</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Lignan metabolites</td><td>Enterolignans</td><td></td><td class="structure"><img data-src="/structures/PHUB001386/image.svg" src="" /></td><td>DWONJCNDULPHLV-HOTGVXAUSA-N</td><td></td><td>(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol</td><td>302.37</td><td></td><td></td><td></td><td>InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1</td><td>OC[C@H](CC1=CC(O)=CC=C1)[C@H](CO)CC1=CC(O)=CC=C1</td><td>-2.603209181436301</td><td>9.793418141582793</td><td></td><td><a href="/entries/PHUB001385">Secoisolariciresinol</a> / <a href="/entries/PHUB002967">Secoisolariciresinol diglucoside</a> / <a href="/entries/PHUB002968">Flaxseed Secoiridoids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001386">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1387"><td></td><td><a href="/entries/PHUB001387">Enterolactone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001387</td><td>1387</td><td>298.12050906</td><td>C<sub>18</sub>H<sub>18</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Lignan metabolites</td><td>Enterolignans</td><td></td><td class="structure"><img data-src="/structures/PHUB001387/image.svg" src="" /></td><td>HVDGDHBAMCBBLR-PBHICJAKSA-N</td><td></td><td>(3S,4S)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one</td><td>298.338</td><td></td><td></td><td></td><td>InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1</td><td>OC1=CC=CC(C[C@@H]2COC(=O)[C@H]2CC2=CC(O)=CC=C2)=C1</td><td>-5.964043636668341</td><td>9.163039070788626</td><td></td><td><a href="/entries/PHUB001385">Secoisolariciresinol</a> / <a href="/entries/PHUB002967">Secoisolariciresinol diglucoside</a> / <a href="/entries/PHUB001696">7-Hydroxymatairesinol</a> / <a href="/entries/PHUB002970">Strawberry Secoiridoids</a> / <a href="/entries/PHUB002968">Flaxseed Secoiridoids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001387">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1388"><td></td><td><a href="/entries/PHUB001388">(+)-Matairesinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001388</td><td>1388</td><td>358.141638428</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001388/image.svg" src="" /></td><td>MATGKVZWFZHCLI-LSDHHAIUSA-N</td><td></td><td>(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one</td><td>358.39</td><td>1.21e-02 g/l</td><td>2.79</td><td>-4.47</td><td>InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1</td><td>COC1=C(O)C=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C=C2)=C1</td><td>-4.5896887507776425</td><td>9.644700805894656</td><td><a href="/food_sources/185">Capers</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/135">Rye</a> / <a href="/food_sources/261">Rye bread</a> / <a href="/food_sources/137">Sesame</a></td><td><a href="/entries/PHUB001388">(+)-Matairesinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001388">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1389"><td></td><td><a href="/entries/PHUB001389">(+)-Pinoresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001389</td><td>1389</td><td>358.141638428</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001389/image.svg" src="" /></td><td>HGXBRUKMWQGOIE-NSMLZSOPSA-N</td><td></td><td>4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol</td><td>358.39</td><td></td><td></td><td></td><td>InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1</td><td>[H][C@@]12CO[C@@H](C3=CC=C(O)C(OC)=C3)[C@]1([H])CO[C@H]2C1=CC(OC)=C(O)C=C1</td><td>-3.803528853893933</td><td>9.60971679801834</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/68">
8Flaxseed</a> / <a href="/food_sources/162">Garlic</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/242">Multigrain bread</a> / <a href="/food_sources/98">Nectarine</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/112">Pear</a> / <a href="/food_sources/261">Rye bread</a> / <a href="/food_sources/137">Sesame</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/143">Sunflower</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/291">Whole wheat bread</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001389">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1390"><td></td><td><a href="/entries/PHUB001390">(+)-Lariciresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001390</td><td>1390</td><td>360.157288493</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001390/image.svg" src="" /></td><td>MHXCIKYXNYCMHY-AUSJPIAWSA-N</td><td></td><td>4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol</td><td>360.406</td><td></td><td></td><td></td><td>InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1</td><td>COC1=C(O)C=CC(C[C@H]2CO[C@@H]([C@H]2CO)C2=CC(OC)=C(O)C=C2)=C1</td><td>-2.6393326877037087</td><td>9.751300076356019</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/24">Cashew nut</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/56">Cucumber</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/162">Garlic</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/83">Kale</a> / <a href="/food_sources/85">Kiwi</a> / <a href="/food_sources/242">Multigrain bread</a> / <a href="/food_sources/112">Pear</a> / <a href="/food_sources/122">Potato</a> / <a href="/food_sources/261">Rye bread</a> / <a href="/food_sources/137">Sesame</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/143">Sunflower</a> / <a href="/food_sources/149">Sweet orange</a> / <a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001390">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1391"><td></td><td><a href="/entries/PHUB001391">Urolithin A</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,8-dihydroxy-urolithin</td><td>PHUB001391</td><td>1391</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,8-dihydroxy-6H-benzo[c]chromen-6-one; 3,8-dihydroxy-urolithin; dihydroxy-dibenzopyran-6-one</td><td class="structure"><img data-src="/structures/PHUB001391/image.svg" src="" /></td><td>RIUPLDUFZCXCHM-UHFFFAOYSA-N</td><td>1143-70-0</td><td>3,8-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>2.63e-01 g/l</td><td>2.16</td><td>-2.94</td><td>InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H</td><td>OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2</td><td>-7.061837521358001</td><td>7.213762400702427</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001391">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1392"><td></td><td><a href="/entries/PHUB001392">Urolithin A-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8-hydroxy-urolithin-3-glucuronide</td><td>PHUB001392</td><td>1392</td><td>404.074346715</td><td>C<sub>19</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,4,5-trihydroxy-6-(8-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl)oxyoxane-2-carboxylic acid; 8-hydroxy-urolithin-3-glucuronide; urolithin A-3-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001392/image.svg" src="" /></td><td>KXBXNRJGUDTJQS-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-({8-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid</td><td>404.327</td><td></td><td></td><td></td><td>InChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)</td><td>OC1C(O)C(OC2=CC=C3C(OC(=O)C4=CC(O)=CC=C34)=C2)OC(C1O)C(O)=O</td><td>-3.6868267697279618</td><td>3.19016794866103</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001392">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1393"><td></td><td><a href="/entries/PHUB001393">Urolithin A-8-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-urolithin-8-glucuronide</td><td>PHUB001393</td><td>1393</td><td>404.074346715</td><td>C<sub>19</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-6-oxobenzo[c]chromen-8-yl)oxyoxane-2-carboxylic acid; 3,8-dihydroxy-urolithin 8-glucuronide; urolithin A-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001393/image.svg" src="" /></td><td>KXBXNRJGUDTJQS-FDQIELQPSA-N</td><td>1365982-52-0</td><td>(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({8-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid</td><td>404.327</td><td>1.87e+00 g/l</td><td>0.56</td><td>-2.33</td><td>InChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m1/s1</td><td>O[C@H]1[C@H](O)[C@@H](OC2=CC=C3C(OC(=O)C4=C3C=CC(O)=C4)=C2)O[C@H]([C@@H]1O)C(O)=O</td><td>-3.6868267697279618</td><td>3.190167948661028</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001393">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1394"><td></td><td><a href="/entries/PHUB001394">Urolithin B</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-urolithin</td><td>PHUB001394</td><td>1394</td><td>212.047344118</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3-hydroxy-6H-benzo[c]chromen-6-one; 3-hydroxy-urolithin; monohydroxy-dibenzopyran-6-one</td><td class="structure"><img data-src="/structures/PHUB001394/image.svg" src="" /></td><td>WXUQMTRHPNOXBV-UHFFFAOYSA-N</td><td>1139-83-9</td><td>3-hydroxy-6H-benzo[c]chromen-6-one</td><td>212.204</td><td>1.45e-01 g/l</td><td>2.65</td><td>-3.17</td><td>InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H</td><td>OC1=CC2=C(C=C1)C1=C(C=CC=C1)C(=O)O2</td><td>-7.050380245017417</td><td>7.67363835878753</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001394">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1395"><td></td><td><a href="/entries/PHUB001395">Urolithin B-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>urolithin-3-glucuronide</td><td>PHUB001395</td><td>1395</td><td>388.079432095</td><td>C<sub>19</sub>H<sub>16</sub>O<sub>9</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid; urolithin B-3-O-glucuronide; urolithin-B-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001395/image.svg" src="" /></td><td>MHBWCULXQBVPQT-KSPMYQCISA-N</td><td>823806-74-2</td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid</td><td>388.328</td><td>1.56e+00 g/l</td><td>0.52</td><td>-2.40</td><td>InChI=1S/C19H16O9/c20-13-14(21)16(17(23)24)28-19(15(13)22)26-8-5-6-10-9-3-1-2-4-11(9)18(25)27-12(10)7-8/h1-7,13-16,19-22H,(H,23,24)/t13-,14-,15+,16-,19+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=CC=CC=C2C(=O)O3)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.6868267697279618</td><td>3.1869048816173247</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001395">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1396"><td></td><td><a href="/entries/PHUB001396">Urolithin C</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,8,9-trihydroxy-urolithin</td><td>PHUB001396</td><td>1396</td><td>244.037173358</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,8,9-trihydroxy-6H-benzo[c]chromen-6-one; 3,8,9-trihydroxy-urolithin; hydroxyurolithin A; trihydroxy-dibenzopyran-6-one; trihydroxyurolithin</td><td class="structure"><img data-src="/structures/PHUB001396/image.svg" src="" /></td><td>HHXMEXZVPJFAIJ-UHFFFAOYSA-N</td><td>165393-06-6</td><td>3,8,9-trihydroxy-6H-benzo[c]chromen-6-one</td><td>244.202</td><td>3.89e-01 g/l</td><td>2.26</td><td>-2.80</td><td>InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H</td><td>OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2</td><td>-6.417792450207521</td><td>7.271662662636823</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001396">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1397"><td></td><td><a href="/entries/PHUB001397">Urolithin C-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8,9-dihydroxy-urolithin-3-glucuronide</td><td>PHUB001397</td><td>1397</td><td>420.069261335</td><td>C<sub>19</sub>H<sub>16</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>(2S,3S,4S,5R,6S)-6-({8,9-dihydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carbox; 8,9-dihydroxy-urolithin-3-glucuronide; Urolithin C-3-O-glucuronide; urolithin C-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001397/image.svg" src="" /></td><td>DDAQYQCCOWZGDO-UHFFFAOYSA-N</td><td>1268248-76-5</td><td>6-({8,9-dihydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>420.326</td><td></td><td></td><td></td><td>InChI=1S/C19H16O11/c20-10-4-8-7-2-1-6(3-12(7)29-18(27)9(8)5-11(10)21)28-19-15(24)13(22)14(23)16(30-19)17(25)26/h1-5,13-16,19-24H,(H,25,26)</td><td>OC1C(O)C(OC2=CC3=C(C=C2)C2=CC(O)=C(O)C=C2C(=O)O3)OC(C1O)C(O)=O</td><td>-3.6868267697279618</td><td>3.187119629455068</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001397">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1398"><td></td><td><a href="/entries/PHUB001398">Urolithin D</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4,8,9-tetrahydroxy-urolithin</td><td>PHUB001398</td><td>1398</td><td>260.032087978</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>6</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,4,8,9-tetrahydroxy-6H-benzo[c]chromen-6-one; 3,4,8,9-tetrahydroxy-urolithin; tetrahydroxy-dibenzopyran-6-one</td><td class="structure"><img data-src="/structures/PHUB001398/image.svg" src="" /></td><td>NEZDQSKPNPRYAW-UHFFFAOYSA-N</td><td>131086-98-1</td><td>3,4,8,9-tetrahydroxy-6H-benzo[c]chromen-6-one</td><td>260.201</td><td>4.20e-01 g/l</td><td>1.93</td><td>-2.79</td><td>InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H</td><td>OC1=CC2=C(C=C1O)C1=CC=C(O)C(O)=C1OC2=O</td><td>-4.686132418476387</td><td>7.321175362451282</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001398">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1399"><td></td><td><a href="/entries/PHUB001399">Urolithin D glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001399</td><td>1399</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001399/image.svg" src="" /></td><td></td><td></td><td></td><td>436.03208</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001399">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1400"><td></td><td><a href="/entries/PHUB001400">Humulone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001400</td><td>1400</td><td>362.209324066</td><td>C<sub>21</sub>H<sub>30</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>humulon; α-lupulic acid</td><td class="structure"><img data-src="/structures/PHUB001400/image.svg" src="" /></td><td>VMSLCPKYRPDHLN-OAQYLSRUSA-N</td><td>26472-41-3</td><td>(6R)-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclohexa-2,4-dien-1-one</td><td>362.466</td><td></td><td></td><td></td><td>InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1</td><td>CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)[C@](O)(CC=C(C)C)C1=O</td><td>-4.243042789896746</td><td>4.4460456775548</td><td><a href="/food_sources/14">Beer</a></td><td><a href="/entries/PHUB001401">4-Deoxyhumulone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001400">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1401"><td></td><td><a href="/entries/PHUB001401">4-Deoxyhumulone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001401</td><td>1401</td><td>346.214409446</td><td>C<sub>21</sub>H<sub>30</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001401/image.svg" src="" /></td><td>NQYBQBZOHCACCR-UHFFFAOYSA-N</td><td></td><td>3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]butan-1-one</td><td>346.467</td><td>5.04e-02 g/l</td><td>4.24</td><td>-3.84</td><td>InChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3</td><td>CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)=C1O</td><td>-4.662644525703825</td><td>7.614550726665848</td><td></td><td><a href="/entries/PHUB001400">Humulone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001401">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1402"><td></td><td><a href="/entries/PHUB001402">Xanthohumol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001402</td><td>1402</td><td>354.146723808</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001402/image.svg" src="" /></td><td>ORXQGKIUCDPEAJ-YRNVUSSQSA-N</td><td>6754-58-1</td><td>(2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one</td><td>354.402</td><td>5.56e-03 g/l</td><td>3.91</td><td>-4.80</td><td>InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+</td><td>COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1</td><td>-4.896190778259284</td><td>7.010896021723353</td><td><a href="/food_sources/14">Beer</a></td><td><a href="/entries/PHUB000384">Isoxanthohumol</a> / <a href="/entries/PHUB000373">8-Prenylnaringenin</a> / <a href="/entries/PHUB000372">6-Prenylnaringenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001402">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1403"><td></td><td><a href="/entries/PHUB001403">Xanthohumol D</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001403</td><td>1403</td><td>370.141638428</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001403/image.svg" src="" /></td><td>IIWLGOCXDBSFCM-RMKNXTFCSA-N</td><td></td><td>(2E)-1-[2,4-dihydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one</td><td>370.401</td><td>4.62e-02 g/l</td><td>2.85</td><td>-3.90</td><td>InChI=1S/C21H22O6/c1-12(2)17(24)10-15-18(25)11-19(27-3)20(21(15)26)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,11,17,22,24-26H,1,10H2,2-3H3/b9-6+</td><td>COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C(CC(O)C(C)=C)C(O)=C1</td><td>-3.0490866005400292</td><td>7.354351776395359</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001403">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1404"><td></td><td><a href="/entries/PHUB001404">Xanthohumol C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001404</td><td>1404</td><td>352.131073744</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001404/image.svg" src="" /></td><td>CVMUWVCGBFJJFI-RMKNXTFCSA-N</td><td></td><td>(2E)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one</td><td>352.386</td><td></td><td></td><td></td><td>InChI=1S/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+</td><td>COC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C2C=CC(C)(C)OC2=C1</td><td>-4.611368988534628</td><td>7.0807137119614145</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001404">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1405"><td></td><td><a href="/entries/PHUB001405">Xanthohumol B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001405</td><td>1405</td><td>370.141638428</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001405/image.svg" src="" /></td><td>GUQGMEWOCKDLDE-AHKGRUIUSA-N</td><td></td><td>(2E)-1-[(3R)-3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one</td><td>370.401</td><td>1.32e-02 g/l</td><td>3.21</td><td>-4.45</td><td>InChI=1S/C21H22O6/c1-21(2)18(24)10-14-16(27-21)11-17(26-3)19(20(14)25)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-25H,10H2,1-3H3/b9-6+/t18-/m1/s1</td><td>COC1=CC2=C(C[C@@H](O)C(C)(C)O2)C(O)=C1C(=O)\C=C\C1=CC=C(O)C=C1</td><td>-3.3326512486799618</td><td>7.341817914606983</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001405">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1406"><td></td><td><a href="/entries/PHUB001406">Xanthohumol E</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001406</td><td>1406</td><td>404.198759382</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001406/image.svg" src="" /></td><td>KTLUOAZICXGRRV-XYOKQWHBSA-N</td><td></td><td>(2E)-1-[2,4-dihydroxy-7,7-dimethyl-3-(3-methylbut-2-en-1-yl)-7,8-dihydronaphthalen-1-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one</td><td>404.506</td><td>4.96e-03 g/l</td><td>5.09</td><td>-4.91</td><td>InChI=1S/C26H28O4/c1-16(2)5-11-20-24(29)19-13-14-26(3,4)15-21(19)23(25(20)30)22(28)12-8-17-6-9-18(27)10-7-17/h5-10,12-14,27,29-30H,11,15H2,1-4H3/b12-8+</td><td>CC(C)=CCC1=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C2CC(C)(C)C=CC2=C1O</td><td>-6.352947867573455</td><td>7.102440311775716</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001406">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1408"><td></td><td><a href="/entries/PHUB001408">Curcumin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>Curcumin</td><td>PHUB001408</td><td>1408</td><td>368.125988364</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td>Diferaloylmethane</td><td class="structure"><img data-src="/structures/PHUB001408/image.svg" src="" /></td><td>VFLDPWHFBUODDF-FCXRPNKRSA-N</td><td>458-37-7</td><td>(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione</td><td>368.385</td><td>5.75e-03 g/l</td><td>3.62</td><td>-4.81</td><td>InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+</td><td>COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O</td><td>-4.355207917841695</td><td>9.08319712281597</td><td><a href="/food_sources/208">Curry powder</a> / <a href="/food_sources/279">Turmeric</a></td><td><a href="/entries/PHUB001409">Curcumin glucuronide</a> / <a href="/entries/PHUB001410">Curcumin sulfate</a> / <a href="/entries/PHUB001408">Curcumin</a> / <a href="/entries/PHUB002276">hexahydrocurcumin glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001408">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1409"><td></td><td><a href="/entries/PHUB001409">Curcumin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Curcumin glucuronide</td><td>PHUB001409</td><td>1409</td><td>544.158076342</td><td>C<sub>27</sub>H<sub>28</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB001409/image.svg" src="" /></td><td>BNSAVBGHRVFVNN-XSCLDSQRSA-N</td><td></td><td></td><td>544.509</td><td></td><td></td><td></td><td>InChI=1S/C27H28O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h3-12,22-25,27,30-33H,13H2,1-2H3,(H,34,35)/b7-3+,8-4+/t22-,23-,24+,25-,27+/m0/s1</td><td>COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</td><td>-3.6868279760638365</td><td>3.1490481188483703</td><td></td><td><a href="/entries/PHUB001408">Curcumin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001409">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1410"><td></td><td><a href="/entries/PHUB001410">Curcumin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Curcumin sulfate</td><td>PHUB001410</td><td>1410</td><td>448.082803398</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB001410/image.svg" src="" /></td><td>NEJVQQBBTRFOHB-FCXRPNKRSA-N</td><td></td><td>{4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenyl}oxidanesulfonic acid</td><td>448.44</td><td></td><td></td><td></td><td>InChI=1S/C21H20O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h3-12,24H,13H2,1-2H3,(H,25,26,27)/b7-3+,8-4+</td><td>COC1=C(O)C=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(OS(O)(=O)=O)C=C2)=C1</td><td>-4.394795420965676</td><td>-2.200076324399044</td><td></td><td><a href="/entries/PHUB001408">Curcumin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001410">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1411"><td></td><td><a href="/entries/PHUB001411">trans-Resveratrol 3-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001411</td><td>1411</td><td>404.110732224</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001411/image.svg" src="" /></td><td>QWSAYEBSTMCFKY-OTPOQTMVSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid</td><td>404.371</td><td>8.29e-01 g/l</td><td>1.31</td><td>-2.69</td><td>InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1</td><td>O[C@H]1[C@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O</td><td>-3.6868267715644625</td><td>3.135361544264777</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001411">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1412"><td></td><td><a href="/entries/PHUB001412">trans-Resveratrol 3-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001412</td><td>1412</td><td>308.03545928</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Resveratrol 3'-sulfate; Resveratrol 3'-sulfuric acid; Resveratrol 3'-sulphate; Resveratrol 3'-sulphuric acid; trans-Resveratrol 3'-sulfuric acid; trans-Resveratrol 3'-sulphate; trans-Resveratrol 3'-sulphuric acid; trans-Resveratrol-3-O-β-sulfate; trans-Resveratrol-3-sulfate</td><td class="structure"><img data-src="/structures/PHUB001412/image.svg" src="" /></td><td>DULQFFCIVGYOFH-OWOJBTEDSA-N</td><td></td><td>{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid</td><td>308.3</td><td>1.44e-01 g/l</td><td>0.65</td><td>-3.33</td><td>InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+</td><td>OC1=CC=C(\C=C\C2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1</td><td>-6.450100726141477</td><td>-2.1264615042099537</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001412">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1413"><td></td><td><a href="/entries/PHUB001413">Dihydro-resveratrol-3-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001413</td><td>1413</td><td>406.126382288</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001413/image.svg" src="" /></td><td>NXXGJRZWYCYPCB-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid</td><td>406.387</td><td></td><td></td><td></td><td>InChI=1S/C20H22O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-9,15-18,20-25H,1-2H2,(H,26,27)</td><td>OC1C(O)C(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)OC(C1O)C(O)=O</td><td>-3.6868267705830644</td><td>3.1748750149404086</td><td></td><td><a href="/entries/PHUB001323">Dihydro-resveratrol</a> / <a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001413">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1414"><td></td><td><a href="/entries/PHUB001414">Dihydro-resveratrol-3-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001414</td><td>1414</td><td>310.051109345</td><td>C<sub>14</sub>H<sub>14</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001414/image.svg" src="" /></td><td>KAVKAZLSONPCRU-UHFFFAOYSA-N</td><td></td><td>{3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid</td><td>310.32</td><td></td><td></td><td></td><td>InChI=1S/C14H14O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19)</td><td>OC1=CC=C(CCC2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1</td><td>-5.442613450803563</td><td>-1.9974668494815457</td><td></td><td><a href="/entries/PHUB001323">Dihydro-resveratrol</a> / <a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001414">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1416"><td></td><td><a href="/entries/PHUB001416">Pyrogallol-2-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001416</td><td>1416</td><td>205.988509087</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td>(2,6-dihydroxyphenyl)oxidanesulfonic acid</td><td class="structure"><img data-src="/structures/PHUB001416/image.svg" src="" /></td><td>XADBYTWTQXSBAF-UHFFFAOYSA-N</td><td></td><td>(2,6-dihydroxyphenyl)oxidanesulfonic acid</td><td>206.17</td><td></td><td></td><td></td><td>InChI=1S/C6H6O6S/c7-4-2-1-3-5(8)6(4)12-13(9,10)11/h1-3,7-8H,(H,9,10,11)</td><td>OC1=CC=CC(O)=C1OS(O)(=O)=O</td><td>-4.115842804420492</td><td>-2.5922119284051197</td><td></td><td><a href="/entries/PHUB000632">Pyrogallol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001416">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1417"><td></td><td><a href="/entries/PHUB001417">Capsaicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001417</td><td>1417</td><td>305.199093733</td><td>C<sub>18</sub>H<sub>27</sub>NO<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001417/image.svg" src="" /></td><td>YKPUWZUDDOIDPM-SOFGYWHQSA-N</td><td></td><td>(6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide</td><td>305.418</td><td>8.41e-03 g/l</td><td>3.80</td><td>-4.56</td><td>InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+</td><td>COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1</td><td>-1.4201007817371583</td><td>9.92869171622554</td><td><a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/128">Hot chili (Capsicum annuum, C. frutescens)</a> / <a href="/food_sources/105">Paprika</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001417">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1418"><td></td><td><a href="/entries/PHUB001418">Delphinidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001418</td><td>1418</td><td>303.049929114</td><td>C<sub>15</sub>H<sub>11</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001418/image.svg" src="" /></td><td>JKHRCGUTYDNCLE-UHFFFAOYSA-O</td><td></td><td>3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>303.245</td><td>7.08e-02 g/l</td><td>2.07</td><td>-3.68</td><td>InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1</td><td>OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1</td><td>-5.8714417625155875</td><td>5.982811040304167</td><td><a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/167">Grapes</a> / <a href="/food_sources/250">Pomegranate</a> / <a href="/food_sources/256">Red raspberry</a> / <a href="/food_sources/293">Red wine</a></td><td><a href="/entries/PHUB002377">Delphinidin glucuronide</a> / <a href="/entries/PHUB001418">Delphinidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001418">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1419"><td></td><td><a href="/entries/PHUB001419">Petunidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001419</td><td>1419</td><td>317.065579179</td><td>C<sub>16</sub>H<sub>13</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001419/image.svg" src="" /></td><td>AFOLOMGWVXKIQL-UHFFFAOYSA-O</td><td></td><td>2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium</td><td>317.272</td><td>4.16e-02 g/l</td><td>2.43</td><td>-3.93</td><td>InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1</td><td>COC1=CC(=CC(O)=C1O)C1=[O+]C2=C(C=C1O)C(O)=CC(O)=C2</td><td>-4.912946742864687</td><td>5.993087935324707</td><td><a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/167">Grapes</a> / <a href="/food_sources/293">Red wine</a></td><td><a href="/entries/PHUB002376">Petunidin glucuronide</a> / <a href="/entries/PHUB001419">Petunidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001419">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1420"><td></td><td><a href="/entries/PHUB001420">Malvidin-3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001420</td><td>1420</td><td>493.134052665</td><td>C<sub>23</sub>H<sub>25</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl β-D-glucopyranoside; enin; Malvidin 3-glucoside; malvidin 3-O-β-D-glucoside</td><td class="structure"><img data-src="/structures/PHUB001420/image.svg" src="" /></td><td>PXUQTDZNOHRWLI-OXUVVOBNSA-O</td><td>7228-78-6</td><td>5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>493.44</td><td>3.70e-01 g/l</td><td>1.30</td><td>-3.16</td><td>InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1</td><td>COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810923799280262</td><td>6.3829279988198975</td><td><a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/167">Grapes</a> / <a href="/food_sources/256">Red raspberry</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/294">White wine</a></td><td><a href="/entries/PHUB001443">Syringic acid-4-O-glucuronide</a> / <a href="/entries/PHUB000313">Syringic acid</a> / <a href="/entries/PHUB001455">Malvidin</a> / <a href="/entries/PHUB001633">Malvidin 3-O-glucoside</a> / <a href="/entries/PHUB001420">Malvidin-3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001420">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1421"><td></td><td><a href="/entries/PHUB001421">Mangiferin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001421</td><td>1421</td><td>422.0849114</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol; Alpizarin; Aphloiol; Chinomin; Hedysarid</td><td class="structure"><img data-src="/structures/PHUB001421/image.svg" src="" /></td><td> AEDDIBAIWPIIBD-ZJKJAXBQSA-N</td><td>4773-96-0</td><td>1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one</td><td>422.342</td><td>5.02e+00 g/l</td><td>-0.09</td><td>-1.92</td><td> InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1</td><td> [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O</td><td>-2.979192626943851</td><td>6.9773522258090885</td><td><a href="/food_sources/95">Mango</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001421">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1422"><td></td><td><a href="/entries/PHUB001422">Isomangiferin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001422</td><td>1422</td><td>422.0849114</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Glucosyl-1,3,6,7-tetrahydroxyxanthone; 4-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one</td><td class="structure"><img data-src="/structures/PHUB001422/image.svg" src="" /></td><td> CDYBOKJASDEORM-HBVDJMOISA-N</td><td>24699-16-9</td><td>1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one</td><td>422.342</td><td>5.06e+00 g/l</td><td>-0.13</td><td>-1.92</td><td> InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m1/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc1cc(O)c(O)cc1c2=O</td><td>-2.9791926292654223</td><td>7.002617793909583</td><td><a href="/food_sources/95">Mango</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001422">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1423"><td></td><td><a href="/entries/PHUB001423">Homomangiferin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001423</td><td>1423</td><td>436.100561464</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001423/image.svg" src="" /></td><td>HDPSXKXQSOVYLL-DTINPEIOSA-N</td><td></td><td>1,6,7-trihydroxy-3-methoxy-2-[(3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one</td><td>436.369</td><td>2.98e+00 g/l</td><td>0.01</td><td>-2.16</td><td>InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12?,16-,18+,19-,20?/m1/s1</td><td>COC1=CC2=C(C(O)=C1C1OC(CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C1=C(O2)C=C(O)C(O)=C1</td><td>-2.9791926276948697</td><td>7.387917961428147</td><td><a href="/food_sources/95">Mango</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001423">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1424"><td></td><td><a href="/entries/PHUB001424">m-Trigallic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001424</td><td>1424</td><td>474.043440511</td><td>C<sub>21</sub>H<sub>14</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001424/image.svg" src="" /></td><td>QUXNYZHQBWMPNX-UHFFFAOYSA-N</td><td></td><td>3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid</td><td>474.33</td><td>6.52e-02 g/l</td><td>2.76</td><td>-3.86</td><td>InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)</td><td>OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1</td><td>-4.77149178099476</td><td>3.9120334673285067</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001424">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1425"><td></td><td><a href="/entries/PHUB001425">Glucogallin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001425</td><td>1425</td><td>332.074346715</td><td>C<sub>13</sub>H<sub>16</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-O-galloyl-β-D-glucose</td><td class="structure"><img data-src="/structures/PHUB001425/image.svg" src="" /></td><td>GDVRUDXLQBVIKP-HQHREHCSSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxybenzoate</td><td>332.261</td><td>2.21e+01 g/l</td><td>-1.27</td><td>-1.18</td><td>InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1</td><td>OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810938238798306</td><td>8.08270189454248</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001425">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1426"><td></td><td><a href="/entries/PHUB001426">Myricetin 3-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001426</td><td>1426</td><td>494.06965526</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001426/image.svg" src="" /></td><td>MBWOCQLTCWTIJE-ZUGPOPFOSA-N</td><td>77363-65-6</td><td>(2S,3S,4S,5R,6S)-6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>494.361</td><td>2.80e+00 g/l</td><td>1.38</td><td>-2.25</td><td>InChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.95502242296202</td><td>2.591004965037832</td><td></td><td><a href="/entries/PHUB000694">Myricetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001426">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1427"><td></td><td><a href="/entries/PHUB001427">Myricetin 5-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001427</td><td>1427</td><td>494.06965526</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001427/image.svg" src="" /></td><td>XGWJLEVLXQJUCL-JENRNSKYSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{[3,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>494.361</td><td>2.38e+00 g/l</td><td>1.11</td><td>-2.32</td><td>InChI=1S/C21H18O14/c22-6-3-9-11(10(4-6)34-21-17(30)14(27)16(29)19(35-21)20(31)32)13(26)15(28)18(33-9)5-1-7(23)12(25)8(24)2-5/h1-4,14,16-17,19,21-25,27-30H,(H,31,32)/t14-,16-,17+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.95484698279467</td><td>2.6660709001936493</td><td></td><td><a href="/entries/PHUB000694">Myricetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001427">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1428"><td></td><td><a href="/entries/PHUB001428">Myricetin 7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001428</td><td>1428</td><td>494.06965526</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001428/image.svg" src="" /></td><td>VNDJCGMKSHKEIZ-JENRNSKYSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{[3,5-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>494.361</td><td>2.19e+00 g/l</td><td>1.07</td><td>-2.35</td><td>InChI=1S/C21H18O14/c22-7-3-6(33-21-17(30)14(27)16(29)19(35-21)20(31)32)4-10-11(7)13(26)15(28)18(34-10)5-1-8(23)12(25)9(24)2-5/h1-4,14,16-17,19,21-25,27-30H,(H,31,32)/t14-,16-,17+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.9548274303482915</td><td>2.720205441375463</td><td></td><td><a href="/entries/PHUB000694">Myricetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001428">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1430"><td></td><td><a href="/entries/PHUB001430">Sinapic acid O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001430</td><td>1430</td><td>400.100561464</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001430/image.svg" src="" /></td><td>YAIVMBWMHPRYKU-VKAIBYOUSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid</td><td>400.336</td><td>3.41e+00 g/l</td><td>-0.01</td><td>-2.07</td><td>InChI=1S/C17H20O11/c1-25-8-5-7(6-9(26-2)11(8)19)3-4-10(18)27-17-14(22)12(20)13(21)15(28-17)16(23)24/h3-6,12-15,17,19-22H,1-2H3,(H,23,24)/b4-3+/t12-,13-,14+,15-,17+/m0/s1</td><td>COC1=CC(\C=C\C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC(OC)=C1O</td><td>-3.6869063364521284</td><td>3.1420615446523024</td><td></td><td><a href="/entries/PHUB000638">Sinapic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001430">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1431"><td></td><td><a href="/entries/PHUB001431">Sinapic acid-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3',5'-Dimethoxy-cinnamic acid-4'-sulfate</td><td>PHUB001431</td><td>1431</td><td>304.02528852</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001431/image.svg" src="" /></td><td>LAHUBJBDDCZJTK-ONEGZZNKSA-N</td><td></td><td>sulfo (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate</td><td>304.27</td><td>2.93e-01 g/l</td><td>0.18</td><td>-3.02</td><td>InChI=1S/C11H12O8S/c1-17-8-5-7(6-9(18-2)11(8)13)3-4-10(12)19-20(14,15)16/h3-6,13H,1-2H3,(H,14,15,16)/b4-3+</td><td>COC1=CC(\C=C\C(=O)OS(O)(=O)=O)=CC(OC)=C1O</td><td>-4.607270779053683</td><td>-2.4900309265113285</td><td></td><td><a href="/entries/PHUB000638">Sinapic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB002652">Oat (Poly)phenols</a> / <a href="/entries/PHUB002653">Red grape pomace (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001431">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1432"><td></td><td><a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4â-methoxycinnamic acid-3'-glucuronide</td><td>PHUB001432</td><td>1432</td><td>370.08999678</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>4-methoxycinnamic acid-3-glucuronide; isoferulic acid-3-glucuronide; isoferulic acid-3'-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001432/image.svg" src="" /></td><td>SHJZLGVIOYFHCB-MBAOVNHDSA-N</td><td>1065272-10-7</td><td>(2S,3S,4S,5R,6S)-6-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>370.31</td><td>4.18e+00 g/l</td><td>-0.23</td><td>-1.95</td><td>InChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1</td><td>COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(\C=C\C(O)=O)C=C1</td><td>-3.686827977923865</td><td>2.963519929853911</td><td></td><td><a href="/entries/PHUB001447">Coffee hydroxycinnamates</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002638">Cranberry (Poly)phenols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002648">Red Raspberries Anthocyanins</a> / <a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB002644">Grape (Poly)phenols</a> / <a href="/entries/PHUB002645">Orange (Poly)phenols</a> / <a href="/entries/PHUB002652">Oat (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001432">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1433"><td></td><td><a href="/entries/PHUB001433">Dihydroisoferulic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid</td><td>PHUB001433</td><td>1433</td><td>196.073558866</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3-hydroxy-4-methoxyphenyl)dihydrocinnamic acid; 3-(3-hydroxy-4-methoxyphenyl)propanoic acid; 3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid; 3-(3â²-hydroxy-4â²-methoxyphenyl)propionic acid</td><td class="structure"><img data-src="/structures/PHUB001433/image.svg" src="" /></td><td>ZVIJTQFTLXXGJA-UHFFFAOYSA-N</td><td>1135-15-5</td><td>3-(3-hydroxy-4-methoxyphenyl)propanoic acid</td><td>196.202</td><td>1.33e+00 g/l</td><td>1.04</td><td>-2.17</td><td>InChI=1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)</td><td>COC1=C(O)C=C(CCC(O)=O)C=C1</td><td>-4.890869696049996</td><td>3.952397858159392</td><td></td><td><a href="/entries/PHUB001447">Coffee hydroxycinnamates</a> / <a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000381">Hesperidin</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001433">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1434"><td></td><td><a href="/entries/PHUB001434">Dihydroisoferulic acid-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(4'-methoxyphenyl)propanoic acid-3'-glucuronide</td><td>PHUB001434</td><td>1434</td><td>372.105646844</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>10</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(4-methoxyphenyl)propanoic acid-3-glucuronide; 3-(4-methoxyphenyl)propionic acid-3-glucuronide; 3-(4'-Methoxyphenyl)propionic acid-3'-O-glucuronide; Dihydroisoferulic acid-3'-glucuronide; Dihydroisoferulic acid-3'-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001434/image.svg" src="" /></td><td>SYLIYWIQUHQCPY-UHFFFAOYSA-N</td><td>1187945-72-7</td><td></td><td>372.326</td><td></td><td></td><td></td><td>InChI=1S/C16H20O9/c1-7-2-3-8(4-5-10(17)18)6-9(7)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h2-3,6,11-14,16,19-21H,4-5H2,1H3,(H,17,18)(H,22,23)</td><td>COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(CCC(O)=O)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB001447">Coffee hydroxycinnamates</a> / <a href="/entries/PHUB000380">Hesperetin</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001434">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1435"><td></td><td><a href="/entries/PHUB001435">Dihydroferulic acid-4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3'-methoxyphenyl)propanoic acid-4'-glucuronide</td><td>PHUB001435</td><td>1435</td><td>372.105646844</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3-methoxyphenyl)propionic acid-4-glucuronide; 3-(3-Methoxyphenyl)propionic acid-4-O-glucuronide; dihydroferulic acid-4-glucuronide; Dihydroferulic acid-4-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001435/image.svg" src="" /></td><td>KYERCTIKYSSKPA-JHZZJYKESA-N</td><td>86321-28-0</td><td>(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>372.326</td><td>4.96e+00 g/l</td><td>-0.24</td><td>-1.88</td><td>InChI=1S/C16H20O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1</td><td>COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(CCC(O)=O)=C1</td><td>-3.6868279760573377</td><td>3.045350255368854</td><td></td><td><a href="/entries/PHUB001447">Coffee hydroxycinnamates</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB000608">Ferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001435">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1436"><td></td><td><a href="/entries/PHUB001436">Dihydroferulic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3'-methoxyphenyl)propanoic acid-4'-sulfate</td><td>PHUB001436</td><td>1436</td><td>276.0303739</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3-methoxyphenyl)propanoic acid-4-sulfate; 3-(3-Methoxyphenyl)propionic acid-4-sulfate; 3-(3'-methoxyphenyl)propionic acid-4'-sulfate; Dihydroferulic acid-4-O-sulfate; dihydroferulic acid-4-sulfate</td><td class="structure"><img data-src="/structures/PHUB001436/image.svg" src="" /></td><td>UMCDODPBPQMWQP-UHFFFAOYSA-N</td><td>86321-33-7</td><td>3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid</td><td>276.26</td><td>5.81e-01 g/l</td><td>-0.55</td><td>-2.68</td><td>InChI=1S/C10H12O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)</td><td>COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1</td><td>-4.918530632378048</td><td>-2.181845359710304</td><td></td><td><a href="/entries/PHUB001447">Coffee hydroxycinnamates</a> / <a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001436">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1438"><td></td><td><a href="/entries/PHUB001438">4-Methylumbelliferone glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001438</td><td>1438</td><td>352.079432095</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Coumarins & Furanocoumarins metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001438/image.svg" src="" /></td><td>ARQXEQLMMNGFDU-JHZZJYKESA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4-methyl-2-oxochromen-7-ylidene)oxy]oxane-2-carboxylic acid</td><td>352.295</td><td>5.79e+00 g/l</td><td>-0.22</td><td>-1.78</td><td>InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1</td><td>[H][C@@]1(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.686826769727952</td><td>2.9729717846538066</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001438">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1439"><td></td><td><a href="/entries/PHUB001439">4-Methylumbelliferone sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001439</td><td>1439</td><td>256.004159152</td><td>C<sub>10</sub>H<sub>8</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Coumarins & Furanocoumarins metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001439/image.svg" src="" /></td><td>FUYLLJCBCKRIAL-UHFFFAOYSA-N</td><td></td><td>(4-methyl-2-oxochromen-7-yl)oxidanesulfonic acid</td><td>256.23</td><td>3.42e-01 g/l</td><td>-0.23</td><td>-2.87</td><td>InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)</td><td>CC1=CC(=O)OC2=C1C=CC(OS(O)(=O)=O)=C2</td><td>-6.950925780746796</td><td>-2.3172372512717563</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001439">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1440"><td></td><td><a href="/entries/PHUB001440">Homovanillyl alcohol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001440</td><td>1440</td><td>168.078644246</td><td>C<sub>9</sub>H<sub>12</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(4-Hydroxy-3-methoxyphenyl)ethanol</td><td class="structure"><img data-src="/structures/PHUB001440/image.svg" src="" /></td><td>XHUBSJRBOQIZNI-UHFFFAOYSA-N</td><td>2380-78-1</td><td>4-(2-hydroxyethyl)-2-methoxyphenol</td><td>168.192</td><td>1.16e+01 g/l</td><td>0.95</td><td>-1.16</td><td>InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3</td><td>COC1=C(O)C=CC(CCO)=C1</td><td>-2.410389186578838</td><td>10.185383789635116</td><td><a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/101">Olive, green</a></td><td><a href="/entries/PHUB002672">Homovanillyl alcohol-4â²-O-β-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001440">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1443"><td></td><td><a href="/entries/PHUB001443">Syringic acid-4-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,5-Dimethoxy-hydroxybenzoic acid-4-glucuronide</td><td>PHUB001443</td><td>1443</td><td>374.0849114</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001443/image.svg" src="" /></td><td>WOGNQDHJFYPQMD-YGMDGNCASA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-[(4-carboxy-2,6-dimethoxyphenylidene)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>374.298</td><td>8.39e+00 g/l</td><td>-0.63</td><td>-1.65</td><td>InChI=1S/C15H18O11/c1-23-6-3-5(13(19)20)4-7(24-2)11(6)25-15-10(18)8(16)9(17)12(26-15)14(21)22/h3-4,8-10,12,15-18H,1-2H3,(H,19,20)(H,21,22)/t8-,9-,10+,12-,15+/m0/s1</td><td>[H][C@@]1(OC2=C(OC)C=C(C=C2OC)C(O)=O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.686829199484389</td><td>2.858659877208506</td><td></td><td><a href="/entries/PHUB001420">Malvidin-3-O-glucoside</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001443">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1445"><td></td><td><a href="/entries/PHUB001445">Dihydrocapsaicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001445</td><td>1445</td><td>307.214743798</td><td>C<sub>18</sub>H<sub>29</sub>NO<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001445/image.svg" src="" /></td><td>XJQPQKLURWNAAH-UHFFFAOYSA-N</td><td></td><td>N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide</td><td>307.434</td><td>1.44e-02 g/l</td><td>4.56</td><td>-4.33</td><td>InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)</td><td>COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1</td><td>-1.419850315871417</td><td>9.928691783033129</td><td><a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/128">Hot chili (Capsicum annuum, C. frutescens)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001445">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1446"><td></td><td><a href="/entries/PHUB001446">Homocapsaicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001446</td><td>1446</td><td>319.214743798</td><td>C<sub>19</sub>H<sub>29</sub>NO<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001446/image.svg" src="" /></td><td>JKIHLSTUOQHAFF-VQHVLOKHSA-N</td><td></td><td>(7E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide</td><td>319.445</td><td>4.47e-03 g/l</td><td>4.43</td><td>-4.85</td><td>InChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+</td><td>COC1=CC(CNC(=O)CCCCC\C=C\C(C)C)=CC=C1O</td><td>-1.4198544169404401</td><td>9.928691031979335</td><td><a href="/food_sources/128">Hot chili (Capsicum annuum, C. frutescens)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001446">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1447"><td></td><td><a href="/entries/PHUB001447">Coffee hydroxycinnamates</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001447</td><td>1447</td><td></td><td></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001447/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001433">Dihydroisoferulic acid</a> / <a href="/entries/PHUB001434">Dihydroisoferulic acid-3'-glucuronide</a> / <a href="/entries/PHUB001435">Dihydroferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001436">Dihydroferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001168">Dihydroferulic acid</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001204">Dihydrocaffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a> / <a href="/entries/PHUB001588">Dihydrocaffeic acid-3-sulfate</a> / <a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a> / <a href="/entries/PHUB001918">caffeic acid-4-O-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001447">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1449"><td></td><td><a href="/entries/PHUB001449">Amygdalin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001449</td><td>1449</td><td>457.158410693</td><td>C<sub>20</sub>H<sub>27</sub>NO<sub>11</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Amygdaloside; Glucoprunasin; Mandelonitrile gentiobioside</td><td class="structure"><img data-src="/structures/PHUB001449/image.svg" src="" /></td><td>XUCIJNAGGSZNQT-SWRVSKMJSA-N</td><td></td><td>2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}acetonitrile</td><td>457.432</td><td>3.53e+01 g/l</td><td>-1.29</td><td>-1.11</td><td>InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1</td><td>[H]C(O[C@]1([H])O[C@]([H])(CO[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)(C#N)C1=CC=CC=C1</td><td>-2.981083422322401</td><td>11.908818353210288</td><td><a href="/food_sources/4">Almond</a> / <a href="/food_sources/357">apple seeds</a> / <a href="/food_sources/331">Apricot kernel</a> / <a href="/food_sources/360">Cherry pit</a> / <a href="/food_sources/361">Peach pit</a> / <a href="/food_sources/362">Plum kernel</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001449">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1450"><td></td><td><a href="/entries/PHUB001450">Linamarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001450</td><td>1450</td><td>247.105587271</td><td>C<sub>10</sub>H<sub>17</sub>NO<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Manihotoxin; Phaseolunatin</td><td class="structure"><img data-src="/structures/PHUB001450/image.svg" src="" /></td><td>QLTCHMYAEJEXBT-ZEBDFXRSSA-N</td><td>554-35-8</td><td>2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile</td><td>247.247</td><td>6.68e+01 g/l</td><td>-1.15</td><td>-0.57</td><td>InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1</td><td>[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OC(C)(C)C#N)[C@]1([H])O</td><td>-2.9810842497378927</td><td>12.208435937637256</td><td><a href="/food_sources/25">Cassava</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/330">linseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001450">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1451"><td></td><td><a href="/entries/PHUB001451">Hesperalin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001451</td><td>1451</td><td>268.154334613</td><td>C<sub>14</sub>H<sub>22</sub>NO<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001451/image.svg" src="" /></td><td>IXSHJXHXZYUCPK-UHFFFAOYSA-N</td><td></td><td>[2-(3,4-dimethoxybenzoyloxy)ethyl]trimethylazanium</td><td>268.332</td><td>8.03e-03 g/l</td><td>-1.53</td><td>-4.58</td><td>InChI=1S/C14H22NO4/c1-15(2,3)8-9-19-14(16)11-6-7-12(17-4)13(10-11)18-5/h6-7,10H,8-9H2,1-5H3/q+1</td><td>COC1=C(OC)C=C(C=C1)C(=O)OCC[N+](C)(C)C</td><td>-4.605333082800418</td><td></td><td><a href="/food_sources/126">Rapeseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001451">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1452"><td></td><td><a href="/entries/PHUB001452">4-Hydroxybenzoylcholine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001452</td><td>1452</td><td>224.128119864</td><td>C<sub>12</sub>H<sub>18</sub>NO<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001452/image.svg" src="" /></td><td>BAPAICNRGIBFJT-UHFFFAOYSA-O</td><td></td><td>{2-[hydroxy(4-oxocyclohexa-2,5-dien-1-ylidene)methoxy]ethyl}trimethylazanium</td><td>224.279</td><td>5.75e-02 g/l</td><td>-2.16</td><td>-3.66</td><td>InChI=1S/C12H17NO3/c1-13(2,3)8-9-16-12(15)10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3/p+1</td><td>C[N+](C)(C)CCOC(O)=C1C=CC(=O)C=C1</td><td>-5.019206321989268</td><td>4.477770935659156</td><td><a href="/food_sources/126">Rapeseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001452">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1455"><td></td><td><a href="/entries/PHUB001455">Malvidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001455</td><td>1455</td><td>331.081229243</td><td>C<sub>17</sub>H<sub>15</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001455/image.svg" src="" /></td><td>KZMACGJDUUWFCH-UHFFFAOYSA-O</td><td></td><td>3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambda4-chromen-1-ylium</td><td>331.299</td><td>2.30e-02 g/l</td><td>2.58</td><td>-4.20</td><td>InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1</td><td>COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O</td><td>-4.612156909893124</td><td>5.988279410536375</td><td></td><td><a href="/entries/PHUB002361">Malvidin glucuronide</a> / <a href="/entries/PHUB001455">Malvidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001455">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1456"><td></td><td><a href="/entries/PHUB001456">Phloretin 2'-xyloglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Phloretin 2â²-xyloglucoside</td><td>PHUB001456</td><td>1456</td><td>568.17920571</td><td>C<sub>26</sub>H<sub>32</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Phloretin 2â²-O-xyloglucoside; Phloretin-2'-xylosyl-glucoside; Phloretin-2â²-(2â²â²-xylosyl)glucoside; Phloretin-2â²-O-(2â²â²-O-xylosyl)glucoside</td><td class="structure"><img data-src="/structures/PHUB001456/image.svg" src="" /></td><td>ZPVXZDCYCDBKAJ-NCMRLHFPSA-N</td><td></td><td>1-(2-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one</td><td>568.528</td><td>2.78e+00 g/l</td><td>-0.29</td><td>-2.31</td><td>InChI=1S/C26H32O14/c27-9-17-20(33)22(35)24(40-25-23(36)21(34)18(10-28)38-25)26(39-17)37-16-8-13(30)7-15(32)19(16)14(31)6-3-11-1-4-12(29)5-2-11/h1-2,4-5,7-8,17-18,20-30,32-36H,3,6,9-10H2/t17-,18-,20-,21+,22+,23-,24-,25+,26-/m1/s1</td><td>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=CC(O)=C2)[C@H](O)[C@H]1O</td><td>-2.9811434922894904</td><td>7.869740079285222</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/172">Apple cider</a> / <a href="/food_sources/303">Apple juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001456">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1457"><td></td><td><a href="/entries/PHUB001457">beta-Ionone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001457</td><td>1457</td><td>192.151415264</td><td>C<sub>13</sub>H<sub>20</sub>O</td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>β-ionone</td><td class="structure"><img data-src="/structures/PHUB001457/image.svg" src="" /></td><td>PSQYTAPXSHCGMF-BQYQJAHWSA-N</td><td>79-77-6</td><td>(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one</td><td>192.302</td><td>1.04e-01 g/l</td><td>4.11</td><td>-3.27</td><td>InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+</td><td>CC(=O)\C=C\C1=C(C)CCCC1(C)C</td><td>-4.6863708112434415</td><td>19.705359453281254</td><td><a href="/food_sources/8">Apricot</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001457">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1458"><td></td><td><a href="/entries/PHUB001458">Prunasin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001458</td><td>1458</td><td>295.105587271</td><td>C<sub>14</sub>H<sub>17</sub>NO<sub>6</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(R)-mandelonitrile beta-D-glucopyranoside; prulaurasin</td><td class="structure"><img data-src="/structures/PHUB001458/image.svg" src="" /></td><td>ZKSZEJFBGODIJW-MXNNCRBYSA-N</td><td>138-53-4</td><td>2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile</td><td>295.291</td><td>2.82e+01 g/l</td><td>-0.56</td><td>-1.02</td><td>InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1</td><td>OC[C@H]1O[C@@H](OC(C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.981084265018608</td><td>12.207108673947591</td><td><a href="/food_sources/331">Apricot kernel</a> / <a href="/food_sources/360">Cherry pit</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001458">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1459"><td></td><td><a href="/entries/PHUB001459">delta-5,24-Stigmastadienol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001459</td><td>1459</td><td>412.370516166</td><td>C<sub>29</sub>H<sub>48</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001459/image.svg" src="" /></td><td>YYLFLRIUDMIWTD-JUTJDYIZSA-N</td><td></td><td>(7S,9aR,11aR)-1-[(2R)-5-ethyl-6-methylhept-5-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>412.702</td><td>2.65e-04 g/l</td><td>6.86</td><td>-6.19</td><td>InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20,23-27,30H,7-9,11-18H2,1-6H3/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1</td><td>CCC(CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)=C(C)C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/8">Apricot</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001459">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1460"><td></td><td><a href="/entries/PHUB001460">Linustatin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001460</td><td>1460</td><td>409.158410693</td><td>C<sub>16</sub>H<sub>27</sub>NO<sub>11</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Linamarin gentiobioside</td><td class="structure"><img data-src="/structures/PHUB001460/image.svg" src="" /></td><td>FERSMFQBWVBKQK-CXTTVELOSA-N</td><td>72229-40-4</td><td>2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propanenitrile</td><td>409.388</td><td>
81.02e+02 g/l</td><td>-1.87</td><td>-0.60</td><td>InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1</td><td>CC(C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N</td><td>-2.981083422322401</td><td>11.909485677702325</td><td><a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/330">linseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001460">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1461"><td></td><td><a href="/entries/PHUB001461">Lotaustralin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001461</td><td>1461</td><td>261.121237336</td><td>C<sub>11</sub>H<sub>19</sub>NO<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-, (R)-</td><td class="structure"><img data-src="/structures/PHUB001461/image.svg" src="" /></td><td>WEWBWVMTOYUPHH-UUFBCVLASA-N</td><td>534-67-8</td><td>(2S)-2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile</td><td>261.274</td><td>6.23e+01 g/l</td><td>-0.88</td><td>-0.62</td><td>InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11+/m1/s1</td><td>[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@@](C)(CC)C#N)[C@]1([H])O</td><td>-2.9810842510256697</td><td>12.208421962208213</td><td><a href="/food_sources/25">Cassava</a> / <a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/330">linseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001461">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1462"><td></td><td><a href="/entries/PHUB001462">Neolinustatin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001462</td><td>1462</td><td>423.174060758</td><td>C<sub>17</sub>H<sub>29</sub>NO<sub>11</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001462/image.svg" src="" /></td><td>WOSYVGNDRYBQCQ-BARGLTKPSA-N</td><td>72229-42-6</td><td>(2R)-2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}butanenitrile</td><td>423.415</td><td>7.59e+01 g/l</td><td>-1.63</td><td>-0.75</td><td>InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-/m1/s1</td><td>CC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N</td><td>-2.981083422322401</td><td>11.909478656385419</td><td><a href="/food_sources/68">Flaxseed</a> / <a href="/food_sources/330">linseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001462">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1464"><td></td><td><a href="/entries/PHUB001464">13-Hydroxylupanine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001464</td><td>1464</td><td>264.183778021</td><td>C<sub>15</sub>H<sub>24</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>13-Hydroxylupinine</td><td class="structure"><img data-src="/structures/PHUB001464/image.svg" src="" /></td><td>JVYKIBAJVKEZSQ-RKQHYHRCSA-N</td><td>15358-48-2</td><td>(1R,2R,9R,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecan-6-one</td><td>264.369</td><td>9.52e+00 g/l</td><td>0.96</td><td>-1.44</td><td>InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12+,13-,14-/m1/s1</td><td>O[C@H]1CCN2C[C@H]3C[C@H](CN4[C@@H]3CCCC4=O)[C@H]2C1</td><td>9.234808806424702</td><td>15.16945581161129</td><td><a href="/food_sources/332">White lupin beans</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001464">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1465"><td></td><td><a href="/entries/PHUB001465">lupanine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001465</td><td>1465</td><td>248.188863401</td><td>C<sub>15</sub>H<sub>24</sub>N<sub>2</sub>O</td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-oxosparteine</td><td class="structure"><img data-src="/structures/PHUB001465/image.svg" src="" /></td><td>JYIJIIVLEOETIQ-XDQVBPFNSA-N</td><td>550-90-3</td><td>(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecan-6-one</td><td>248.37</td><td>6.09e+00 g/l</td><td>2.34</td><td>-1.61</td><td>InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13-,14+/m0/s1</td><td>O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3</td><td>9.75154362875031</td><td></td><td><a href="/food_sources/332">White lupin beans</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001465">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1467"><td></td><td><a href="/entries/PHUB001467">lupinine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001467</td><td>1467</td><td>169.146664236</td><td>C<sub>10</sub>H<sub>19</sub>NO</td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001467/image.svg" src="" /></td><td>HDVAWXXJVMJBAR-VHSXEESVSA-N</td><td>486-70-4</td><td>[(1R,9aR)-octahydro-1H-quinolizin-1-yl]methanol</td><td>169.268</td><td>5.32e+01 g/l</td><td>1.54</td><td>-0.50</td><td>InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1</td><td>[H][C@]12CCCCN1CCC[C@H]2CO</td><td>9.878752660500751</td><td>15.422513757737132</td><td><a href="/food_sources/332">White lupin beans</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001467">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1468"><td></td><td><a href="/entries/PHUB001468">Multiflorine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001468</td><td>1468</td><td>246.173213336</td><td>C<sub>15</sub>H<sub>22</sub>N<sub>2</sub>O</td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001468/image.svg" src="" /></td><td>HQSKZPOVBDNEGN-CXTZMWEQSA-N</td><td>529-80-6</td><td>(1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadec-5-en-4-one</td><td>246.354</td><td>4.87e+00 g/l</td><td>1.21</td><td>-1.70</td><td>InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11?,12?,14-,15+/m0/s1</td><td>[H][C@@]12CCCCN1C[C@H]1C[C@H]2CN2C=CC(=O)C[C@]12[H]</td><td>9.778515853877115</td><td>19.42117569488191</td><td><a href="/food_sources/332">White lupin beans</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001468">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1469"><td></td><td><a href="/entries/PHUB001469">Sparteine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001469</td><td>1469</td><td>234.209598845</td><td>C<sub>15</sub>H<sub>26</sub>N<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>lupinidine</td><td class="structure"><img data-src="/structures/PHUB001469/image.svg" src="" /></td><td>SLRCCWJSBJZJBV-ZQDZILKHSA-N</td><td>90-39-1</td><td>(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane</td><td>234.387</td><td>9.31e-01 g/l</td><td>2.98</td><td>-2.40</td><td>InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1</td><td>[H][C@]12CN3CCCC[C@@]3([H])[C@]([H])(CN3CCCC[C@]13[H])C2</td><td>9.16023077227616</td><td></td><td><a href="/food_sources/332">White lupin beans</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001469">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1470"><td></td><td><a href="/entries/PHUB001470">Alanine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001470</td><td>1470</td><td>282.085186179</td><td>C<sub>12</sub>H<sub>14</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001470/image.svg" src="" /></td><td>XZPOAQOHKACLJQ-XUJQLLKGSA-N</td><td></td><td>(2S,4E)-4-[(2Z)-2-[(1-carboxyethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>282.252</td><td>4.19e-01 g/l</td><td>0.79</td><td>-2.83</td><td>InChI=1S/C12H14N2O6/c1-6(10(15)16)13-3-2-7-4-8(11(17)18)14-9(5-7)12(19)20/h2-4,6,9,14H,5H2,1H3,(H,15,16)(H,17,18)(H,19,20)/b7-2-,13-3-/t6?,9-/m0/s1</td><td>CC(\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O</td><td>8.753063959214865</td><td>1.6267077665329754</td><td><a href="/food_sources/273">Swiss chard</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001470">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1471"><td></td><td><a href="/entries/PHUB001471">Proline-isobetaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001471</td><td>1471</td><td>308.100836243</td><td>C<sub>14</sub>H<sub>16</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Isoindicaxanthin</td><td class="structure"><img data-src="/structures/PHUB001471/image.svg" src="" /></td><td>RJIIQBYZGJSODH-MNOVXSKESA-N</td><td></td><td>(1Z,2S)-1-{2-[(2R,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-1lambda5-pyrrolidin-1-ylium-2-carboxylate</td><td>308.29</td><td>2.06e-01 g/l</td><td>-1.02</td><td>-3.24</td><td>InChI=1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H3,17,18,19,20,21,22)/t10-,11+/m1/s1</td><td>OC(=O)[C@H]1C\C(=C/C=[N+]2/CCC[C@H]2C([O-])=O)C=C(N1)C(O)=O</td><td>1.26762195740052</td><td>3.0557610656876015</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001471">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1472"><td></td><td><a href="/entries/PHUB001472">Dopa-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001472</td><td>1472</td><td>390.106315548</td><td>C<sub>18</sub>H<sub>18</sub>N<sub>2</sub>O<sub>8</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dopaxanthin</td><td class="structure"><img data-src="/structures/PHUB001472/image.svg" src="" /></td><td>YSNPSKZBOQYUHH-CUZZQJLESA-N</td><td>71199-31-0</td><td>(2S,4E)-4-[(2Z)-2-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>390.348</td><td>1.07e-01 g/l</td><td>1.99</td><td>-3.56</td><td>InChI=1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11?,13-/m0/s1</td><td>OC(=O)C(CC1=CC(O)=C(O)C=C1)\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O</td><td>8.224506218994717</td><td>1.4885372640174597</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001472">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1473"><td></td><td><a href="/entries/PHUB001473">Serine-betaxanthin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001473</td><td>1473</td><td>298.080100799</td><td>C<sub>12</sub>H<sub>14</sub>N<sub>2</sub>O<sub>7</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001473/image.svg" src="" /></td><td>FPSPMXPRFYBHKR-RWQNULSYSA-N</td><td></td><td>(4E)-4-[(2Z)-2-[(1-carboxy-2-hydroxyethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid</td><td>298.251</td><td>5.71e-01 g/l</td><td>-0.20</td><td>-2.72</td><td>InChI=1S/C12H14N2O7/c15-5-9(12(20)21)13-2-1-6-3-7(10(16)17)14-8(4-6)11(18)19/h1-3,8-9,14-15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)/b6-1-,13-2-</td><td>OCC(\N=C/C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O</td><td>7.763436206816465</td><td>1.5129385509061846</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001473">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1474"><td></td><td><a href="/entries/PHUB001474">2-Pentanone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001474</td><td>1474</td><td>86.073164942</td><td>C<sub>5</sub>H<sub>10</sub>O</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-pentanone; Methyl propyl ketone; Pentan-2-one</td><td class="structure"><img data-src="/structures/PHUB001474/image.svg" src="" /></td><td>XNLICIUVMPYHGG-UHFFFAOYSA-N</td><td></td><td>pentan-2-one</td><td>86.134</td><td>2.95e+01 g/l</td><td>0.87</td><td>-0.47</td><td>InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3</td><td>CCCC(C)=O</td><td>-7.270641705420188</td><td>19.646713873667363</td><td><a href="/food_sources/12">Banana</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001474">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1475"><td></td><td><a href="/entries/PHUB001475">5-Hydroxyindole acetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001475</td><td>1475</td><td>191.058243154</td><td>C<sub>10</sub>H<sub>9</sub>NO<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amine metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-HIAA; 5-Hydroxyindole-3-acetic acid; 5-hydroxyindoleacetic acid</td><td class="structure"><img data-src="/structures/PHUB001475/image.svg" src="" /></td><td>DUUGKQCEGZLZNO-UHFFFAOYSA-N</td><td></td><td>2-(5-hydroxy-1H-indol-3-yl)acetic acid</td><td>191.186</td><td>1.80e+00 g/l</td><td>1.28</td><td>-2.03</td><td>InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)</td><td>OC(=O)CC1=CNC2=C1C=C(O)C=C2</td><td>-5.508018305769369</td><td>4.215990424188327</td><td></td><td><a href="/entries/PHUB000782">Serotonin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001475">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1476"><td></td><td><a href="/entries/PHUB001476">Gomphrenin III</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001476</td><td>1476</td><td>726.190833023</td><td>C<sub>34</sub>H<sub>34</sub>N<sub>2</sub>O<sub>16</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>betanidin 6-O-(6â²-O-E-feruloyl)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB001476/image.svg" src="" /></td><td>PZVSGHKONASTEC-WPUGSIMNSA-N</td><td></td><td>(1E,2S)-1-{2-[(2S,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>726.644</td><td>5.23e-02 g/l</td><td>1.48</td><td>-4.17</td><td>InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-13-20-17(12-23(25)38)11-21(33(47)48)36(20)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1</td><td>COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](OC3=CC4=C(C[C@@H](C([O-])=O)\[N+]4=C/C=C4\C[C@H](NC(=C4)C(O)=O)C(O)=O)C=C3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O</td><td>-3.6789670415821223</td><td>2.4022619999785526</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001476">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1477"><td></td><td><a href="/entries/PHUB001477">Gomphrenin II</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001477</td><td>1477</td><td>696.180268338</td><td>C<sub>33</sub>H<sub>32</sub>N<sub>2</sub>O<sub>15</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>betanidin 6-O-(6'-O-4-coumaroyl)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB001477/image.svg" src="" /></td><td>DZZRFXSVXQHJLV-DOHUEXTKSA-N</td><td>143022-02-0</td><td>(1E,2S)-1-{2-[(2S,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>696.618</td><td>5.15e-02 g/l</td><td>1.30</td><td>-4.16</td><td>InChI=1S/C33H32N2O15/c36-18-4-1-15(2-5-18)3-6-26(38)48-14-25-27(39)28(40)29(41)33(50-25)49-24-13-21-17(12-23(24)37)11-22(32(46)47)35(21)8-7-16-9-19(30(42)43)34-20(10-16)31(44)45/h1-9,12-13,20,22,25,27-29,33,39-41H,10-11,14H2,(H5,36,37,38,42,43,44,45,46,47)/t20-,22-,25+,27+,28-,29+,33+/m0/s1</td><td>O[C@H]1[C@H](O)[C@@H](COC(=O)\C=C\C2=CC=C(O)C=C2)O[C@@H](OC2=C(O)C=C3C[C@@H](C([O-])=O)\[N+](=C/C=C4\C[C@H](NC(=C4)C(O)=O)C(O)=O)C3=C2)[C@@H]1O</td><td>-3.6789670415821223</td><td>1.5489573049809597</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001477">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1478"><td></td><td><a href="/entries/PHUB001478">Isogomphrenin II</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001478</td><td>1478</td><td>696.180268338</td><td>C<sub>33</sub>H<sub>32</sub>N<sub>2</sub>O<sub>15</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>isobetanidin 6-O-(6'-O-4-coumaroyl)-beta-glucoside</td><td class="structure"><img data-src="/structures/PHUB001478/image.svg" src="" /></td><td>DZZRFXSVXQHJLV-IVBBOESRSA-N</td><td>143062-65-1</td><td>(1E,2S)-1-{2-[(2R,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>696.618</td><td>5.15e-02 g/l</td><td>1.30</td><td>-4.16</td><td>InChI=1S/C33H32N2O15/c36-18-4-1-15(2-5-18)3-6-26(38)48-14-25-27(39)28(40)29(41)33(50-25)49-24-13-21-17(12-23(24)37)11-22(32(46)47)35(21)8-7-16-9-19(30(42)43)34-20(10-16)31(44)45/h1-9,12-13,20,22,25,27-29,33,39-41H,10-11,14H2,(H5,36,37,38,42,43,44,45,46,47)/t20-,22+,25-,27-,28+,29-,33-/m1/s1</td><td>O[C@H]1[C@H](O)[C@@H](COC(=O)\C=C\C2=CC=C(O)C=C2)O[C@@H](OC2=C(O)C=C3C[C@@H](C([O-])=O)\[N+](=C/C=C4\C[C@@H](NC(=C4)C(O)=O)C(O)=O)C3=C2)[C@@H]1O</td><td>-3.6789670415821223</td><td>1.5489573049809597</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001478">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1479"><td></td><td><a href="/entries/PHUB001479">Isogomphrenin III</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001479</td><td>1479</td><td>726.190833023</td><td>C<sub>34</sub>H<sub>34</sub>N<sub>2</sub>O<sub>16</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001479/image.svg" src="" /></td><td>PZVSGHKONASTEC-IZRHHKDJSA-N</td><td></td><td>(1E,2S)-1-{2-[(2R,4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1lambda5-indol-1-ylium-2-carboxylate</td><td>726.644</td><td>5.23e-02 g/l</td><td>1.48</td><td>-4.17</td><td>InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-13-20-17(12-23(25)38)11-21(33(47)48)36(20)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21+,26-,28-,29+,30-,34-/m1/s1</td><td>COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](OC3=CC4=C(C[C@@H](C([O-])=O)\[N+]4=C/C=C4\C[C@@H](NC(=C4)C(O)=O)C(O)=O)C=C3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O</td><td>-3.6789670415821223</td><td>2.4022619999785526</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001479">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1480"><td></td><td><a href="/entries/PHUB001480">Adenine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001480</td><td>1480</td><td>135.054495181</td><td>C<sub>5</sub>H<sub>5</sub>N<sub>5</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Purines and pyrimidines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-aminopurine; 6-Aminopurine; Angustmycin B; Vitamin B4</td><td class="structure"><img data-src="/structures/PHUB001480/image.svg" src="" /></td><td>GFFGJBXGBJISGV-UHFFFAOYSA-N</td><td>73-24-5</td><td>7H-purin-6-amine</td><td>135.13</td><td>1.15e+01 g/l</td><td>-0.38</td><td>-1.07</td><td>InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)</td><td>NC1=C2NC=NC2=NC=N1</td><td>3.6642393509726103</td><td>10.293436398909257</td><td><a href="/food_sources/342">Tea leaf</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001480">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1481"><td></td><td><a href="/entries/PHUB001481">resveratrol-3-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001481</td><td>1481</td><td>404.110732224</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]oxane-2-car; trans-resveratrol-3-O-β-D-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001481/image.svg" src="" /></td><td>QWSAYEBSTMCFKY-OWOJBTEDSA-N</td><td></td><td>3,4,5-trihydroxy-6-{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid</td><td>404.371</td><td>8.29e-01 g/l</td><td>1.31</td><td>-2.69</td><td>InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+</td><td>[H]\C(=C(\[H])C1=CC(O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1</td><td>-3.6868267715644625</td><td>3.135361544264777</td><td></td><td><a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001481">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1482"><td></td><td><a href="/entries/PHUB001482">trans-resveratrol-5-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001482</td><td>1482</td><td>404.110732224</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>resveratrol-5-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001482/image.svg" src="" /></td><td>IUVMHVVQINFMDH-OWOJBTEDSA-N</td><td></td><td>3,4,5-trihydroxy-6-{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid</td><td>404.371</td><td></td><td></td><td></td><td>InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-18-16(24)15(23)17(19(25)26)29-20(18)27/h1-9,15-18,20-24,27H,(H,25,26)/b2-1+</td><td>OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O</td><td>-3.6868267715644625</td><td>3.135361544264777</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001482">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1483"><td></td><td><a href="/entries/PHUB001483">trans-Resveratrol-4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001483</td><td>1483</td><td>404.110732224</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Resveratrol-4â²-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001483/image.svg" src="" /></td><td>CDEBVTGYVFHDMA-OWOJBTEDSA-N</td><td></td><td>6-{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>404.371</td><td>7.31e-01 g/l</td><td>1.44</td><td>-2.74</td><td>InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+</td><td>[H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1</td><td>-3.6868267613833194</td><td>3.2601831178039555</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001483">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1484"><td></td><td><a href="/entries/PHUB001484">resveratrol-4â²-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001484</td><td>1484</td><td>308.03545928</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Resveratrol 4'-sulfate; Resveratrol 4'-sulfuric acid; Resveratrol 4'-sulphate; Resveratrol 4'-sulphuric acid; trans-Resveratrol 4'-sulfuric acid; trans-Resveratrol 4'-sulphate; trans-Resveratrol 4'-sulphuric acid; trans-Resveratrol-4â²-sulfate</td><td class="structure"><img data-src="/structures/PHUB001484/image.svg" src="" /></td><td>KOTTWDFKZULRPN-OWOJBTEDSA-N</td><td></td><td>{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid</td><td>308.3</td><td>1.34e-01 g/l</td><td>0.65</td><td>-3.36</td><td>InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+</td><td>OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1</td><td>-6.178025730951873</td><td>-2.1090043031520613</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001484">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1485"><td></td><td><a href="/entries/PHUB001485">resveratrol sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001485</td><td>1485</td><td>484.068</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>12</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001485/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001485">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1486"><td></td><td><a href="/entries/PHUB001486">trans-Resveratrol-3,5-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001486</td><td>1486</td><td>387.992274314</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>9</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001486/image.svg" src="" /></td><td>AUJFEUYHBMJMOQ-OWOJBTEDSA-N</td><td></td><td>{3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-(sulfooxy)phenyl}oxidanesulfonic acid</td><td>388.36</td><td>7.62e-02 g/l</td><td>-0.84</td><td>-3.71</td><td>InChI=1S/C14H12O9S2/c15-12-5-3-10(4-6-12)1-2-11-7-13(22-24(16,17)18)9-14(8-11)23-25(19,20)21/h1-9,15H,(H,16,17,18)(H,19,20,21)/b2-1+</td><td>OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1</td><td>-6.450100899206635</td><td>-2.740966089508562</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001486">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1487"><td></td><td><a href="/entries/PHUB001487">trans-Resveratrol-3,4â²-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001487</td><td>1487</td><td>387.992274314</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>9</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001487/image.svg" src="" /></td><td>DHYDAGFKCXRMSL-OWOJBTEDSA-N</td><td></td><td>{3-hydroxy-5-[(1E)-2-[4-(sulfooxy)phenyl]ethenyl]phenyl}oxidanesulfonic acid</td><td>388.36</td><td>6.74e-02 g/l</td><td>-0.87</td><td>-3.76</td><td>InChI=1S/C14H12O9S2/c15-12-7-11(8-14(9-12)23-25(19,20)21)2-1-10-3-5-13(6-4-10)22-24(16,17)18/h1-9,15H,(H,16,17,18)(H,19,20,21)/b2-1+</td><td>OC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=C1</td><td>-6.542670022098983</td><td>-2.493510525686878</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001487">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1488"><td></td><td><a href="/entries/PHUB001488">trans-Resveratrol-3,4â²,5-trisulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001488</td><td>1488</td><td>467.949089348</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>12</sub>S<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001488/image.svg" src="" /></td><td>PTXZZWAYVALFLP-OWOJBTEDSA-N</td><td></td><td>[3-(sulfooxy)-5-[(1E)-2-[4-(sulfooxy)phenyl]ethenyl]phenyl]oxidanesulfonic acid</td><td>468.42</td><td>1.00e-01 g/l</td><td>-1.44</td><td>-3.67</td><td>InChI=1S/C14H12O12S3/c15-27(16,17)24-12-5-3-10(4-6-12)1-2-11-7-13(25-28(18,19)20)9-14(8-11)26-29(21,22)23/h1-9H,(H,15,16,17)(H,18,19,20)(H,21,22,23)/b2-1+</td><td>OS(=O)(=O)OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1</td><td></td><td>-2.9083648677775504</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001488">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1489"><td></td><td><a href="/entries/PHUB001489">Dihydro-resveratrol-trisulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001489</td><td>1489</td><td>469.965</td><td>C<sub>14</sub>H<sub>14</sub>O<sub>12</sub>S<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001489/image.svg" src="" /></td><td></td><td></td><td></td><td>470.449</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001489">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1490"><td></td><td><a href="/entries/PHUB001490">Resveratrol ribosyl sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001490</td><td>1490</td><td>440.078</td><td>C<sub>19</sub>H<sub>20</sub>O<sub>10</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001490/image.svg" src="" /></td><td></td><td></td><td></td><td>440.421</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001490">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1491"><td></td><td><a href="/entries/PHUB001491">Dihydro-resveratrol-3,5-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001491</td><td>1491</td><td>582.158470266</td><td>C<sub>26</sub>H<sub>30</sub>O<sub>15</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dihydro-resveratrol-diglucuronide</td><td class="structure"><img data-src="/structures/PHUB001491/image.svg" src="" /></td><td>OEXWEIIGDTVNEE-UHFFFAOYSA-N</td><td></td><td></td><td>582.511</td><td></td><td></td><td></td><td>InChI=1S/C26H30O15/c27-12-5-3-10(4-6-12)1-2-11-7-13(38-25-19(32)15(28)17(30)21(40-25)23(34)35)9-14(8-11)39-26-20(33)16(29)18(31)22(41-26)24(36)37/h3-9,15-22,25-33H,1-2H2,(H,34,35)(H,36,37)</td><td>OC1C(O)C(OC2=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=CC(CCC3=CC=C(O)C=C3)=C2)OC(C1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001491">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1492"><td></td><td><a href="/entries/PHUB001492">Dihydro-resveratrol-sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001492</td><td>1492</td><td>486.083</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>12</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001492/image.svg" src="" /></td><td></td><td></td><td></td><td>486.447</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001492">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1493"><td></td><td><a href="/entries/PHUB001493">5-methoxyresveratrol-3-O-β-glucoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001493</td><td>1493</td><td>404.147117733</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001493/image.svg" src="" /></td><td>QWNSYPOHQWFMNS-NSCUHMNNSA-N</td><td></td><td>2-(hydroxymethyl)-6-{3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy}oxane-3,4,5-triol</td><td>404.415</td><td>5.75e-01 g/l</td><td>1.12</td><td>-2.85</td><td>InChI=1S/C21H24O8/c1-27-15-8-13(3-2-12-4-6-14(23)7-5-12)9-16(10-15)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2+</td><td>COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(\C=C\C2=CC=C(O)C=C2)=C1</td><td>-2.9810923437305696</td><td>8.99586449070645</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001493">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1494"><td></td><td><a href="/entries/PHUB001494">5-methoxyresveratrol-3-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001494</td><td>1494</td><td>322.051109345</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001494/image.svg" src="" /></td><td>SHICKYNMWBEYKG-NSCUHMNNSA-N</td><td></td><td>{3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenyl}oxidanesulfonic acid</td><td>322.33</td><td>4.81e-02 g/l</td><td>0.84</td><td>-3.83</td><td>InChI=1S/C15H14O6S/c1-20-14-8-12(9-15(10-14)21-22(17,18)19)3-2-11-4-6-13(16)7-5-11/h2-10,16H,1H3,(H,17,18,19)/b3-2+</td><td>COC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(O)C=C2)=C1</td><td>-4.842754325418346</td><td>-2.0396860971153354</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001494">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1495"><td></td><td><a href="/entries/PHUB001495">Dihydro-resveratrol-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001495</td><td>1495</td><td>390.007924379</td><td>C<sub>14</sub>H<sub>14</sub>O<sub>9</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001495/image.svg" src="" /></td><td>KSFBJARIUJOGSM-UHFFFAOYSA-N</td><td></td><td>{3-[2-(4-hydroxyphenyl)ethyl]-5-(sulfooxy)phenyl}oxidanesulfonic acid</td><td>390.38</td><td>1.27e-01 g/l</td><td>-0.94</td><td>-3.49</td><td>InChI=1S/C14H14O9S2/c15-12-5-3-10(4-6-12)1-2-11-7-13(22-24(16,17)18)9-14(8-11)23-25(19,20)21/h3-9,15H,1-2H2,(H,16,17,18)(H,19,20,21)</td><td>OC1=CC=C(CCC2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1</td><td>-5.4426136042234035</td><td>-2.6420274260154226</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001495">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1496"><td></td><td><a href="/entries/PHUB001496">Resveratrol-glucoside-phosphate-glycerol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001496</td><td>1496</td><td>544.134577992</td><td>C<sub>23</sub>H<sub>29</sub>O<sub>13</sub>P</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001496/image.svg" src="" /></td><td>HHGVITMJFMWHCT-MYCDQIJASA-N</td><td></td><td>{[(2R,3S,4S,5R)-6-{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}(2,3-dihydroxypropoxy)phosphinic acid</td><td>544.446</td><td>2.90e-01 g/l</td><td>-0.08</td><td>-3.27</td><td>InChI=1S/C23H29O13P/c24-10-17(27)11-33-37(31,32)34-12-19-20(28)21(29)22(30)23(36-19)35-18-5-3-13(4-6-18)1-2-14-7-15(25)9-16(26)8-14/h1-9,17,19-30H,10-12H2,(H,31,32)/b2-1+/t17?,19-,20-,21+,22-,23?/m1/s1</td><td>[H]C(O)(CO)COP(O)(=O)OC[C@@]1([H])OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9689647678483606</td><td>1.8908325638864545</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001496">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1497"><td></td><td><a href="/entries/PHUB001497">Piceid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001497</td><td>1497</td><td>566.164</td><td>C<sub>26</sub>H<sub>30</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001497/image.svg" src="" /></td><td></td><td></td><td></td><td>566.508</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001497">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1498"><td></td><td><a href="/entries/PHUB001498">Piceid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001498</td><td>1498</td><td>470.088</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001498/image.svg" src="" /></td><td></td><td></td><td></td><td>470.447</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001498">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1499"><td></td><td><a href="/entries/PHUB001499">resveratrol-glucoside-phosphate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001499</td><td>1499</td><td>470.097798559</td><td>C<sub>20</sub>H<sub>23</sub>O<sub>11</sub>P</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001499/image.svg" src="" /></td><td>UFIDQDVCQBXLSP-OWOJBTEDSA-N</td><td></td><td>[(6-{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]phosphonic acid</td><td>470.367</td><td>2.08e-01 g/l</td><td>0.67</td><td>-3.36</td><td>InChI=1S/C20H23O11P/c21-13-7-12(8-14(22)9-13)2-1-11-3-5-15(6-4-11)30-20-19(25)18(24)17(23)16(31-20)10-29-32(26,27)28/h1-9,16-25H,10H2,(H2,26,27,28)/b2-1+</td><td>OC1C(COP(O)(O)=O)OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O</td><td>-3.649383524208622</td><td>1.2228791192960966</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001499">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1500"><td></td><td><a href="/entries/PHUB001500">Lunularin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Lunularin</td><td>PHUB001500</td><td>1500</td><td>214.099379691</td><td>C<sub>14</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(4-hydroxyphenethyl)phenol; 3,4'-dihydroxybibenzyl; 3,4'-dihydroxydihydrostilbene; 3,4'-ethylenebisphenol</td><td class="structure"><img data-src="/structures/PHUB001500/image.svg" src="" /></td><td>ILEYXPCRQKRNIJ-UHFFFAOYSA-N</td><td>37116-80-6</td><td>4-[2-(3-hydroxyphenyl)ethyl]phenol</td><td>214.264</td><td>9.67e-02 g/l</td><td>3.05</td><td>-3.35</td><td>InChI=1S/C14H14O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10,15-16H,4-5H2</td><td>OC1=CC=C(CCC2=CC=CC(O)=C2)C=C1</td><td>-5.4426068395464995</td><td>9.881328640467686</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001500">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1501"><td></td><td><a href="/entries/PHUB001501">3,4'-dihydroxy-trans-stilbene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4'-dihydroxy-trans-stilbene</td><td>PHUB001501</td><td>1501</td><td>212.083729626</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4â²-Dihydroxystilbene; stilbene-3,4'-diol</td><td class="structure"><img data-src="/structures/PHUB001501/image.svg" src="" /></td><td>UFGKEFGYNRJIGO-SNAWJCMRSA-N</td><td>62574-04-3</td><td>4-[(1E)-2-(3-hydroxyphenyl)ethenyl]phenol</td><td>212.248</td><td>4.07e-02 g/l</td><td>3.28</td><td>-3.72</td><td>InChI=1S/C14H12O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10,15-16H/b5-4+</td><td>OC1=CC=C(\C=C\C2=CC=CC(O)=C2)C=C1</td><td>-6.450093868779732</td><td>8.655242168646843</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001501">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1502"><td></td><td><a href="/entries/PHUB001502">cis-Resveratrol-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001502</td><td>1502</td><td>308.03545928</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001502/image.svg" src="" /></td><td>DULQFFCIVGYOFH-UPHRSURJSA-N</td><td></td><td>{3-hydroxy-5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid</td><td>308.3</td><td>1.44e-01 g/l</td><td>0.65</td><td>-3.33</td><td>InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1-</td><td>OC1=CC=C(\C=C/C2=CC(OS(O)(=O)=O)=CC(O)=C2)C=C1</td><td>-5.950100726141477</td><td>-2.1264615041943813</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000335">Resveratrol (cis-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001502">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1503"><td></td><td><a href="/entries/PHUB001503">cis-Resveratrol-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001503</td><td>1503</td><td>308.03545928</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>6</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001503/image.svg" src="" /></td><td>KOTTWDFKZULRPN-UPHRSURJSA-N</td><td></td><td>{4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid</td><td>308.3</td><td>1.34e-01 g/l</td><td>0.65</td><td>-3.36</td><td>InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1-</td><td>OC1=CC(\C=C/C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1</td><td>-5.678025730951873</td><td>-2.109004303146975</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000335">Resveratrol (cis-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001503">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1504"><td></td><td><a href="/entries/PHUB001504">cis-Resveratrol-3-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001504</td><td>1504</td><td>404.110732224</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001504/image.svg" src="" /></td><td>QWSAYEBSTMCFKY-UPHRSURJSA-N</td><td></td><td>3,4,5-trihydroxy-6-{3-hydroxy-5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid</td><td>404.371</td><td>8.29e-01 g/l</td><td>1.31</td><td>-2.69</td><td>InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-</td><td>OC1C(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O</td><td>-3.6868267715644625</td><td>3.1353625575872637</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000335">Resveratrol (cis-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001504">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1505"><td></td><td><a href="/entries/PHUB001505">cis-Resveratrol-4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001505</td><td>1505</td><td>404.110732224</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001505/image.svg" src="" /></td><td>CDEBVTGYVFHDMA-UPHRSURJSA-N</td><td></td><td>6-{4-[(1Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>404.371</td><td>7.31e-01 g/l</td><td>1.44</td><td>-2.74</td><td>InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-</td><td>OC1C(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O</td><td>-3.6868267613833194</td><td>3.2601843077403645</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a> / <a href="/entries/PHUB000335">Resveratrol (cis-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001505">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1506"><td></td><td><a href="/entries/PHUB001506">Resveratroloside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001506</td><td>1506</td><td>390.131467668</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(E)-Resveratroloside; 3,5,4'-Trihydroxystilbene-4'-glucoside; trans-Resveratrol-4'-O-glucoside; trans-Resveratrol-4'-O-β-D-glucopyranoside</td><td class="structure"><img data-src="/structures/PHUB001506/image.svg" src="" /></td><td>QKKOJXGCIVBTNF-OWOJBTEDSA-N</td><td></td><td></td><td>390.388</td><td></td><td></td><td></td><td>InChI=1S/C20H22O8/c21-10-16-17(24)19(18(25)20(26)28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12/h1-9,16-26H,10H2/b2-1+</td><td>OCC1OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C(O)C(O)C1O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001506">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1508"><td></td><td><a href="/entries/PHUB001508">Piceatannol-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001508</td><td>1508</td><td>596.1377</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>16</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001508/image.svg" src="" /></td><td></td><td></td><td></td><td>596.4909</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000320">Piceatannol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001508">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1509"><td></td><td><a href="/entries/PHUB001509">Piceatannol-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001509</td><td>1509</td><td>420.1056</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001509/image.svg" src="" /></td><td></td><td></td><td></td><td>420.3668</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000320">Piceatannol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001509">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1511"><td></td><td><a href="/entries/PHUB001511">O-methyl piceatannol-monoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001511</td><td>1511</td><td>434.1213</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>10</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001511/image.svg" src="" /></td><td></td><td></td><td></td><td>434.3934</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000320">Piceatannol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001511">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1512"><td></td><td><a href="/entries/PHUB001512">O-methyl piceatannol-monosulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001512</td><td>1512</td><td>338.046</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001512/image.svg" src="" /></td><td></td><td></td><td></td><td>338.3325</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000320">Piceatannol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001512">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1513"><td></td><td><a href="/entries/PHUB001513">piceatannol-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001513</td><td>1513</td><td>403.9872</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>10</sub>S<sub>2</sub> </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001513/image.svg" src="" /></td><td></td><td></td><td></td><td>404.3691</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000320">Piceatannol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001513">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1514"><td></td><td><a href="/entries/PHUB001514">Pterostilbene-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001514</td><td>1514</td><td>432.142032353</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001514/image.svg" src="" /></td><td>QMAWHLGOYBNGRJ-ONEGZZNKSA-N</td><td></td><td>6-{4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>432.425</td><td>2.30e-01 g/l</td><td>1.93</td><td>-3.27</td><td>InChI=1S/C22H24O9/c1-28-15-9-13(10-16(11-15)29-2)4-3-12-5-7-14(8-6-12)30-22-19(25)17(23)18(24)20(31-22)21(26)27/h3-11,
817-20,22-25H,1-2H3,(H,26,27)/b4-3+</td><td>[H]\C(=C(\[H])C1=CC(OC)=CC(OC)=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1</td><td>-3.6868267613833194</td><td>3.2601845979084745</td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001514">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1515"><td></td><td><a href="/entries/PHUB001515">Pterostilbene sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001515</td><td>1515</td><td>336.066759409</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001515/image.svg" src="" /></td><td>FWVGGISSXZLGHW-ONEGZZNKSA-N</td><td></td><td>{4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl}oxidanesulfonic acid</td><td>336.36</td><td>
81.04e-02 g/l</td><td>0.94</td><td>-4.51</td><td>InChI=1S/C16H16O6S/c1-20-15-9-13(10-16(11-15)21-2)4-3-12-5-7-14(8-6-12)22-23(17,18)19/h3-11H,1-2H3,(H,17,18,19)/b4-3+</td><td>[H]\C(=C(\[H])C1=CC(OC)=CC(OC)=C1)C1=CC=C(OS(O)(=O)=O)C=C1</td><td>-4.539344739117273</td><td>-2.113380330982079</td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001515">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1516"><td></td><td><a href="/entries/PHUB001516">Mono-demethylated pterostilbene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001516</td><td>1516</td><td>242.094294311</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001516/image.svg" src="" /></td><td>KUWZXOMQXYWKBS-NSCUHMNNSA-N</td><td></td><td>3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol</td><td>242.274</td><td>2.41e-02 g/l</td><td>3.08</td><td>-4.00</td><td>InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+</td><td>COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1</td><td>-4.838664480653452</td><td>8.635714115937514</td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001516">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1517"><td></td><td><a href="/entries/PHUB001517">Mono-demethylated pterostilbene glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001517</td><td>1517</td><td>418.126382288</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001517/image.svg" src="" /></td><td>HVYISRZGDXLKTJ-NSCUHMNNSA-N</td><td></td><td>3,4,5-trihydroxy-6-{4-[(1E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid</td><td>418.398</td><td>4.92e-01 g/l</td><td>1.59</td><td>-2.93</td><td>InChI=1S/C21H22O9/c1-28-15-9-12(8-13(22)10-15)3-2-11-4-6-14(7-5-11)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h2-10,16-19,21-25H,1H3,(H,26,27)/b3-2+</td><td>COC1=CC(\C=C\C2=CC=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2)=CC(O)=C1</td><td>-3.6868267613833194</td><td>3.2601836965025504</td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001517">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1518"><td></td><td><a href="/entries/PHUB001518">Mono-demethylated pterostilbene sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001518</td><td>1518</td><td>322.051109345</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001518/image.svg" src="" /></td><td>QNPCDOZHPUBGPT-NSCUHMNNSA-N</td><td></td><td>{4-[(1E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenyl}oxidanesulfonic acid</td><td>322.33</td><td>4.51e-02 g/l</td><td>0.96</td><td>-3.85</td><td>InChI=1S/C15H14O6S/c1-20-15-9-12(8-13(16)10-15)3-2-11-4-6-14(7-5-11)21-22(17,18)19/h2-10,16H,1H3,(H,17,18,19)/b3-2+</td><td>COC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1</td><td>-4.839721704796165</td><td>-2.111199454674298</td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001518">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1519"><td></td><td><a href="/entries/PHUB001519">Mono-hydroxylated pterostilbene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001519</td><td>1519</td><td>272.104858995</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001519/image.svg" src="" /></td><td>UQRBFXIUUDJHSN-ONEGZZNKSA-N</td><td></td><td>4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]benzene-1,2-diol</td><td>272.3</td><td>2.15e-02 g/l</td><td>3.04</td><td>-4.10</td><td>InChI=1S/C16H16O4/c1-19-13-7-12(8-14(10-13)20-2)4-3-11-5-6-15(17)16(18)9-11/h3-10,17-18H,1-2H3/b4-3+</td><td>COC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(OC)=C1</td><td>-4.537862505178467</td><td>8.762700155139864</td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001519">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1520"><td></td><td><a href="/entries/PHUB001520">Mono-hydroxylated pterostilbene glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001520</td><td>1520</td><td>448.136946973</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001520/image.svg" src="" /></td><td>LPRSJGJBLFALLO-ONEGZZNKSA-N</td><td></td><td>6-{4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>448.424</td><td>3.49e-01 g/l</td><td>1.59</td><td>-3.11</td><td>InChI=1S/C22H24O10/c1-29-13-7-12(8-14(10-13)30-2)4-3-11-5-6-16(15(23)9-11)31-22-19(26)17(24)18(25)20(32-22)21(27)28/h3-10,17-20,22-26H,1-2H3,(H,27,28)/b4-3+</td><td>COC1=CC(\C=C\C2=CC(O)=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2)=CC(OC)=C1</td><td>-3.686827975281513</td><td>3.071607323395726</td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001520">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1521"><td></td><td><a href="/entries/PHUB001521">Mono-hydroxylated pterostilbene sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001521</td><td>1521</td><td>352.061674029</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001521/image.svg" src="" /></td><td>ZFNUYNYEAPCTLK-ONEGZZNKSA-N</td><td></td><td>{4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-hydroxyphenyl}oxidanesulfonic acid</td><td>352.36</td><td>4.05e-02 g/l</td><td>1.08</td><td>-3.94</td><td>InChI=1S/C16H16O7S/c1-21-13-7-12(8-14(10-13)22-2)4-3-11-5-6-16(15(17)9-11)23-24(18,19)20/h3-10,17H,1-2H3,(H,18,19,20)/b4-3+</td><td>COC1=CC(\C=C\C2=CC(O)=C(OS(O)(=O)=O)C=C2)=CC(OC)=C1</td><td>-4.539950161987815</td><td>-2.2678465680497806</td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001521">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1522"><td></td><td><a href="/entries/PHUB001522">Mono-hydroxylated pterostilbene glucuronide sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001522</td><td>1522</td><td>528.0938</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001522/image.svg" src="" /></td><td></td><td></td><td></td><td>528.4832</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001522">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1523"><td></td><td><a href="/entries/PHUB001523">Pinostilbene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001523</td><td>1523</td><td>242.094294311</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol; 3-methoxy-4',5-dihydroxy-trans-stilbene; 3-methoxyresveratrol; 3,4'-dihydroxy-5-methoxystilbene; Resveratrol monomethyl ether</td><td class="structure"><img data-src="/structures/PHUB001523/image.svg" src="" /></td><td>KUWZXOMQXYWKBS-NSCUHMNNSA-N</td><td></td><td>3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol</td><td>242.274</td><td>2.41e-02 g/l</td><td>3.08</td><td>-4.00</td><td>InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+</td><td>COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1</td><td>-4.838664480653452</td><td>8.635714115937514</td><td></td><td><a href="/entries/PHUB000323">Pterostilbene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001523">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1524"><td></td><td><a href="/entries/PHUB001524">Hexanal</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001524</td><td>1524</td><td>100.088815006</td><td>C<sub>6</sub>H<sub>12</sub>O</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(e)-2-Hexanal; caproaldehyde; Hexaldehyde</td><td class="structure"><img data-src="/structures/PHUB001524/image.svg" src="" /></td><td>JARKCYVAAOWBJS-UHFFFAOYSA-N</td><td></td><td>hexanal</td><td>100.161</td><td>4.49e+00 g/l</td><td>2.37</td><td>-1.35</td><td>InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3</td><td>CCCCCC=O</td><td>-6.944305972130752</td><td>17.931132092538434</td><td><a href="/food_sources/12">Banana</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001524">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1525"><td></td><td><a href="/entries/PHUB001525">Isoamyl acetate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001525</td><td>1525</td><td>130.099379691</td><td>C<sub>7</sub>H<sub>14</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Methyl-1-butyl acetate; Isopentyl acetate</td><td class="structure"><img data-src="/structures/PHUB001525/image.svg" src="" /></td><td>MLFHJEHSLIIPHL-UHFFFAOYSA-N</td><td></td><td>3-methylbutyl acetate</td><td>130.187</td><td>2.06e+00 g/l</td><td>2.36</td><td>-1.80</td><td>InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3</td><td>CC(C)CCOC(C)=O</td><td>-6.993831859009882</td><td></td><td><a href="/food_sources/12">Banana</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001525">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1526"><td></td><td><a href="/entries/PHUB001526">Isoamyl isobutyrate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001526</td><td>1526</td><td>158.13067982</td><td>C<sub>9</sub>H<sub>18</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Methylbutyl 2-methylpropanoate; Isoamyl 2-methylpropanoate; Isopentyl 2-methylpropanoate</td><td class="structure"><img data-src="/structures/PHUB001526/image.svg" src="" /></td><td>VFTGLSWXJMRZNB-UHFFFAOYSA-N</td><td></td><td>3-methylbutyl 2-methylpropanoate</td><td>158.241</td><td>8.90e-01 g/l</td><td>2.89</td><td>-2.25</td><td>InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3</td><td>CC(C)CCOC(=O)C(C)C</td><td>-7.065525013374948</td><td></td><td><a href="/food_sources/12">Banana</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001526">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1527"><td></td><td><a href="/entries/PHUB001527">Butyl butyrate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001527</td><td>1527</td><td>144.115029755</td><td>C<sub>8</sub>H<sub>16</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>n-butyl butanoate</td><td class="structure"><img data-src="/structures/PHUB001527/image.svg" src="" /></td><td>XUPYJHCZDLZNFP-UHFFFAOYSA-N</td><td></td><td>butyl butanoate</td><td>144.214</td><td>1.36e+00 g/l</td><td>2.82</td><td>-2.02</td><td>InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3</td><td>CCCCOC(=O)CCC</td><td>-7.032619365198107</td><td></td><td><a href="/food_sources/12">Banana</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001527">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1528"><td></td><td><a href="/entries/PHUB001528">Butyl acetate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001528</td><td>1528</td><td>
8116.083729626</td><td>C<sub>6</sub>H<sub>12</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Butyl ethanoate</td><td class="structure"><img data-src="/structures/PHUB001528/image.svg" src="" /></td><td>DKPFZGUDAPQIHT-UHFFFAOYSA-N</td><td></td><td>butyl acetate</td><td>116.16</td><td>5.63e+00 g/l</td><td>1.84</td><td>-1.31</td><td>InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3</td><td>CCCCOC(C)=O</td><td>-6.9938118593509175</td><td></td><td><a href="/food_sources/12">Banana</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001528">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1530"><td></td><td><a href="/entries/PHUB001530">trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001530</td><td>1530</td><td>580.142820202</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>15</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001530/image.svg" src="" /></td><td>WCAPHBGQINUWGZ-DAFODLJHSA-N</td><td></td><td></td><td>580.495</td><td></td><td></td><td></td><td>InChI=1S/C26H28O15/c27-11-7-10(14(13(28)8-11)21-17(31)15(29)18(32)22(40-21)24(35)36)4-1-9-2-5-12(6-3-9)39-26-20(34)16(30)19(33)23(41-26)25(37)38/h1-8,15-23,26-34H,(H,35,36)(H,37,38)/b4-1+</td><td>OC1C(OC2=CC=C(\C=C\C3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001530">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1531"><td></td><td><a href="/entries/PHUB001531">trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001531</td><td>1531</td><td>580.142820202</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>15</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001531/image.svg" src="" /></td><td>ZUHUOLQQDUSSHQ-DAFODLJHSA-N</td><td></td><td></td><td>580.495</td><td></td><td></td><td></td><td>InChI=1S/C26H28O15/c27-11-5-2-9(3-6-11)1-4-10-7-12(39-26-20(34)16(30)19(33)23(41-26)25(37)38)8-13(28)14(10)21-17(31)15(29)18(32)22(40-21)24(35)36/h1-8,15-23,26-34H,(H,35,36)(H,37,38)/b4-1+</td><td>OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2)OC(C(O)C1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001531">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1532"><td></td><td><a href="/entries/PHUB001532">dihydro-piceid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001532</td><td>1532</td><td>392.147117733</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001532/image.svg" src="" /></td><td>GMYAXWBDOODSNF-UHFFFAOYSA-N</td><td></td><td>2-{3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>392.404</td><td>7.92e-01 g/l</td><td>0.62</td><td>-2.70</td><td>InChI=1S/C20H24O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h3-9,16-26H,1-2,10H2</td><td>OCC1OC(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O</td><td>-2.981092343726333</td><td>9.45148171799455</td><td></td><td><a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001532">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1533"><td></td><td><a href="/entries/PHUB001533">resveratrol-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001533</td><td>1533</td><td>308.0355</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>6</sub>S </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001533/image.svg" src="" /></td><td></td><td></td><td></td><td>308.3065</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000325">Piceid (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001533">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1534"><td></td><td><a href="/entries/PHUB001534">Dihydro-resveratrol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001534</td><td>1534</td><td>310.0511</td><td>C<sub>14</sub>H<sub>14</sub>O<sub>6</sub>S </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001534/image.svg" src="" /></td><td></td><td></td><td></td><td>310.3224</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000325">Piceid (trans-)</a> / <a href="/entries/PHUB001323">Dihydro-resveratrol</a> / <a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001534">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1535"><td></td><td><a href="/entries/PHUB001535">Dihydro-resveratrol-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001535</td><td>1535</td><td>406.1264</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>9</sub> </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001535/image.svg" src="" /></td><td></td><td></td><td></td><td>406.3833</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001323">Dihydro-resveratrol</a> / <a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001535">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1536"><td></td><td><a href="/entries/PHUB001536">trans-deoxyrhapontigenin-3-O-β-d-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001536</td><td>1536</td><td>418.126382288</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001536/image.svg" src="" /></td><td>ZZMHKHZZOZCSGX-NSCUHMNNSA-N</td><td></td><td>3,4,5-trihydroxy-6-{3-hydroxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid</td><td>418.398</td><td>5.29e-01 g/l</td><td>1.57</td><td>-2.90</td><td>InChI=1S/C21H22O9/c1-28-14-6-4-11(5-7-14)2-3-12-8-13(22)10-15(9-12)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h2-10,16-19,21-25H,1H3,(H,26,27)/b3-2+</td><td>[H]\C(=C(\[H])C1=CC(O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(OC)C=C1</td><td>-3.6868267715644625</td><td>3.1353618053377543</td><td></td><td><a href="/entries/PHUB001542">Deoxyrhapontin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001536">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1537"><td></td><td><a href="/entries/PHUB001537">trans-deoxyrhapontin-5-O-β-d-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001537</td><td>1537</td><td>580.17920571</td><td>C<sub>27</sub>H<sub>32</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001537/image.svg" src="" /></td><td>LYBIYCPDTKOZIH-NSCUHMNNSA-N</td><td></td><td>3,4,5-trihydroxy-6-{3-[(1E)-2-(4-methoxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid</td><td>580.539</td><td>8.80e-01 g/l</td><td>-0.04</td><td>-2.82</td><td>InChI=1S/C27H32O14/c1-37-14-6-4-12(5-7-14)2-3-13-8-15(38-26-22(33)19(30)18(29)17(11-28)40-26)10-16(9-13)39-27-23(34)20(31)21(32)24(41-27)25(35)36/h2-10,17-24,26-34H,11H2,1H3,(H,35,36)/b3-2+</td><td>[H]\C(=C(\[H])C1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(OC)C=C1</td><td>-3.648395345708822</td><td>3.052292604954166</td><td></td><td><a href="/entries/PHUB001542">Deoxyrhapontin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001537">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1538"><td></td><td><a href="/entries/PHUB001538">trans-rhapontigenin-3'-O-β-d-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001538</td><td>1538</td><td>434.121296908</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001538/image.svg" src="" /></td><td>TYWSZICLFBSLGY-NSCUHMNNSA-N</td><td></td><td>6-{5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>434.397</td><td>6.98e-01 g/l</td><td>1.34</td><td>-2.79</td><td>InChI=1S/C21H22O10/c1-29-14-5-4-10(2-3-11-6-12(22)9-13(23)7-11)8-15(14)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h2-9,16-19,21-26H,1H3,(H,27,28)/b3-2+</td><td>[H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C(OC)C=C1</td><td>-3.686827977923865</td><td>3.21644487320391</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001538">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1539"><td></td><td><a href="/entries/PHUB001539">rhapontin-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001539</td><td>1539</td><td>596.17412033</td><td>C<sub>27</sub>H<sub>32</sub>O<sub>15</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001539/image.svg" src="" /></td><td>GVULYUQHTAJZGN-NSCUHMNNSA-N</td><td></td><td>3,4,5-trihydroxy-6-{5-[(1E)-2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-2-methoxyphenoxy}oxane-2-carboxylic acid</td><td>596.538</td><td>1.45e+00 g/l</td><td>0.12</td><td>-2.61</td><td>InChI=1S/C27H32O15/c1-38-15-5-4-11(8-16(15)40-27-23(35)20(32)21(33)24(42-27)25(36)37)2-3-12-6-13(29)9-14(7-12)39-26-22(34)19(31)18(30)17(10-28)41-26/h2-9,17-24,26-35H,10H2,1H3,(H,36,37)/b3-2+</td><td>COC1=CC=C(\C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C=C1OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.678946590227532</td><td>3.2164451088837787</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001539">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1540"><td></td><td><a href="/entries/PHUB001540">rhapontigenin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001540</td><td>1540</td><td>434.1213</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>10</sub> </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001540/image.svg" src="" /></td><td></td><td></td><td></td><td>434.3934</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000327">Rhapontigenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001540">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1541"><td></td><td><a href="/entries/PHUB001541">piceatannol-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001541</td><td>1541</td><td>324.0304</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>7</sub>S </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001541/image.svg" src="" /></td><td></td><td></td><td></td><td>324.3059</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000320">Piceatannol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001541">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1542"><td></td><td><a href="/entries/PHUB001542">Deoxyrhapontin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001542</td><td>1542</td><td>404.147117733</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001542/image.svg" src="" /></td><td>MFMQRDLLSRLUJY-NSCUHMNNSA-N</td><td></td><td>2-{3-hydroxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>404.415</td><td>5.72e-01 g/l</td><td>1.11</td><td>-2.85</td><td>InChI=1S/C21H24O8/c1-27-15-6-4-12(5-7-15)2-3-13-8-14(23)10-16(9-13)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2+</td><td>COC1=CC=C(\C=C\C2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C=C1</td><td>-2.981092343730565</td><td>8.826762683718995</td><td></td><td><a href="/entries/PHUB001536">trans-deoxyrhapontigenin-3-O-β-d-glucuronide</a> / <a href="/entries/PHUB001537">trans-deoxyrhapontin-5-O-β-d-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001542">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1543"><td></td><td><a href="/entries/PHUB001543">rhapontin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001543</td><td>1543</td><td>420.142032353</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001543/image.svg" src="" /></td><td>GKAJCVFOJGXVIA-NSCUHMNNSA-N</td><td></td><td>2-{3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>420.414</td><td>5.85e-01 g/l</td><td>0.70</td><td>-2.86</td><td>InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+</td><td>COC1=C(O)C=C(\C=C\C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C2)C=C1</td><td>-2.981092343730565</td><td>8.711220561940094</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001543">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1544"><td></td><td><a href="/entries/PHUB001544">trans-resveratrol-4'-O-β-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001544</td><td>1544</td><td>308.03545928</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001544/image.svg" src="" /></td><td>KOTTWDFKZULRPN-OWOJBTEDSA-N</td><td></td><td>{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid</td><td>308.3</td><td>1.34e-01 g/l</td><td>0.65</td><td>-3.36</td><td>InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+</td><td>OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1</td><td>-6.178025730951873</td><td>-2.1090043031520613</td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001544">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1545"><td></td><td><a href="/entries/PHUB001545">Resveratrol disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001545</td><td>1545</td><td>387.992</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>9</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001545/image.svg" src="" /></td><td></td><td></td><td></td><td>388.37</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001545">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1546"><td></td><td><a href="/entries/PHUB001546">resveratrol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001546</td><td>1546</td><td>404.111</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>9</sub> </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001546/image.svg" src="" /></td><td></td><td></td><td></td><td>404.367</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001546">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1547"><td></td><td><a href="/entries/PHUB001547">resveratrol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001547</td><td>1547</td><td>308.035</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>6</sub>S </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001547/image.svg" src="" /></td><td></td><td></td><td></td><td>308.306</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000324">Resveratrol (trans-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001547">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1548"><td></td><td><a href="/entries/PHUB001548">Pinosylvin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001548</td><td>1548</td><td>388.1158</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub> </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001548/image.svg" src="" /></td><td></td><td></td><td></td><td>0.0</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000322">Pinosylvin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001548">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1549"><td></td><td><a href="/entries/PHUB001549">Mulberroside A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001549</td><td>1549</td><td>568.17920571</td><td>C<sub>26</sub>H<sub>32</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001549/image.svg" src="" /></td><td>HPSWAEGGWLOOKT-OWOJBTEDSA-N</td><td></td><td>2-{3-hydroxy-4-[(1E)-2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>568.528</td><td>1.30e+00 g/l</td><td>-0.70</td><td>-2.64</td><td>InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-4-3-12(16(30)8-14)2-1-11-5-13(29)7-15(6-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1+</td><td>OCC1OC(OC2=CC(O)=C(\C=C\C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C=C2)C(O)C(O)C1O</td><td>-3.6483953456943676</td><td>8.667469242113945</td><td></td><td><a href="/entries/PHUB000333">Oxyresveratrol</a> / <a href="/entries/PHUB001550">Oxyresveratrol-4-O-β-D-glucoside</a> / <a href="/entries/PHUB001551">Oxyresveratrol 3â²-O-β-D-glucoside</a> / <a href="/entries/PHUB001552">Oxyresveratrol-sulfate</a> / <a href="/entries/PHUB001553">Oxyresveratrol-glucuronide</a> / <a href="/entries/PHUB001554">Oxyresveratrol-2-O-β-D-glucuronosyl</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001549">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1550"><td></td><td><a href="/entries/PHUB001550">Oxyresveratrol-4-O-β-D-glucoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001550</td><td>1550</td><td>406.126382288</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Oxyresveratrol-4-O-β-D-glucopyranoside</td><td class="structure"><img data-src="/structures/PHUB001550/image.svg" src="" /></td><td>QNJXAEVGLMVYJF-OWOJBTEDSA-N</td><td></td><td>2-{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>406.387</td><td>7.73e-01 g/l</td><td>0.41</td><td>-2.72</td><td>InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-4-3-11(15(24)8-14)2-1-10-5-12(22)7-13(23)6-10/h1-8,16-27H,9H2/b2-1+</td><td>[H]\C(=C(\[H])C1=C(O)C=C(OC2OC(CO)C(O)C(O)C2O)C=C1)C1=CC(O)=CC(O)=C1</td><td>-2.9810923437225725</td><td>8.543233951406663</td><td></td><td><a href="/entries/PHUB001549">Mulberroside A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001550">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1551"><td></td><td><a href="/entries/PHUB001551">Oxyresveratrol 3â²-O-β-D-glucoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001551</td><td>1551</td><td>406.126382288</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Oxyresveratrol 3â²-O-β-D-glucopyranoside</td><td class="structure"><img data-src="/structures/PHUB001551/image.svg" src="" /></td><td>GGQVPULXXVQLRT-OWOJBTEDSA-N</td><td></td><td>2-{3-[(1E)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>406.387</td><td>8.08e-01 g/l</td><td>0.40</td><td>-2.70</td><td>InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-6-10(5-13(23)7-14)1-2-11-3-4-12(22)8-15(11)24/h1-8,16-27H,9H2/b2-1+</td><td>[H]\C(=C(\[H])C1=C(O)C=C(O)C=C1)C1=CC(O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1</td><td>-2.981092343730565</td><td>8.567739620466641</td><td></td><td><a href="/entries/PHUB001549">Mulberroside A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001551">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1552"><td></td><td><a href="/entries/PHUB001552">Oxyresveratrol-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001552</td><td>1552</td><td>324.0304</td><td>C<sub>14</sub>H<sub>12</sub>O<sub>7</sub>S </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001552/image.svg" src="" /></td><td></td><td></td><td></td><td>324.3059</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001549">Mulberroside A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001552">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1553"><td></td><td><a href="/entries/PHUB001553">Oxyresveratrol-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001553</td><td>1553</td><td>420.1056</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>10</sub>  </td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001553/image.svg" src="" /></td><td></td><td></td><td></td><td>420.3668</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001549">Mulberroside A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001553">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1554"><td></td><td><a href="/entries/PHUB001554">Oxyresveratrol-2-O-β-D-glucuronosyl</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001554</td><td>1554</td><td>420.105646844</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001554/image.svg" src="" /></td><td>QPGXLVVVGPRDFR-OWOJBTEDSA-N</td><td></td><td>6-{2-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>420.37</td><td>1.09e+00 g/l</td><td>1.08</td><td>-2.59</td><td>InChI=1S/C20H20O10/c21-11-4-3-10(2-1-9-5-12(22)7-13(23)6-9)14(8-11)29-20-17(26)15(24)16(25)18(30-20)19(27)28/h1-8,15-18,20-26H,(H,27,28)/b2-1+</td><td>[H]\C(=C(\[H])C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(O)C=C1)C1=CC(O)=CC(O)=C1</td><td>-3.686827040933451</td><td>3.1708002332937126</td><td></td><td><a href="/entries/PHUB001549">Mulberroside A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001554">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1555"><td></td><td><a href="/entries/PHUB001555">ε-viniferin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001555</td><td>1555</td><td>630.173726406</td><td>C<sub>34</sub>H<sub>30</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001555/image.svg" src="" /></td><td>ZPGHQJUJOJIYAV-DAFODLJHSA-N</td><td></td><td>6-{4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>630.602</td><td>3.55e-02 g/l</td><td>3.77</td><td>-4.25</td><td>InChI=1S/C34H30O12/c35-20-7-2-16(3-8-20)1-4-18-11-23(38)15-25-26(18)27(19-12-21(36)14-22(37)13-19)31(45-25)17-5-9-24(10-6-17)44-34-30(41)28(39)29(40)32(46-34)33(42)43/h1-15,27-32,34-41H,(H,42,43)/b4-1+</td><td>OC1C(OC2=CC=C(C=C2)C2OC3=C(C2C2=CC(O)=CC(O)=C2)C(\C=C\C2=CC=C(O)C=C2)=CC(O)=C3)OC(C(O)C1O)C(O)=O</td><td>-3.7319986496737187</td><td>3.21302024818597</td><td></td><td><a href="/entries/PHUB000318">Viniferin (Epsilon-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001555">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1556"><td></td><td><a href="/entries/PHUB001556">trans-δ-viniferin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001556</td><td>1556</td><td>630.173726406</td><td>C<sub>34</sub>H<sub>30</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001556/image.svg" src="" /></td><td>DWSXCKPMYYNCMQ-OWOJBTEDSA-N</td><td></td><td></td><td>630.602</td><td></td><td></td><td></td><td>InChI=1S/C34H30O12/c35-20-6-4-18(5-7-20)30-27(19-12-22(37)14-23(38)13-19)25-11-16(3-8-26(25)45-30)1-2-17-9-21(36)15-24(10-17)44-31-28(39)29(40)34(43)46-32(31)33(41)42/h1-15,27-32,34-40,43H,(H,41,42)/b2-1+</td><td>OC1C(OC2=CC(O)=CC(\C=C\C3=CC4=C(OC(C4C4=CC(O)=CC(O)=C4)C4=CC=C(O)C=C4)C=C3)=C2)OC(C(O)C1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000317">Viniferin (delta-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001556">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1557"><td></td><td><a href="/entries/PHUB001557">trans-δ-viniferin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001557</td><td>1557</td><td>534.098453462</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001557/image.svg" src="" /></td><td>BMUBZEMVELTGGS-OWOJBTEDSA-N</td><td></td><td>{4-[3-(3,5-dihydroxyphenyl)-5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenyl}oxidanesulfonic acid</td><td>534.54</td><td>8.72e-03 g/l</td><td>2.82</td><td>-4.79</td><td>InChI=1S/C28H22O9S/c29-20-9-17(10-21(30)14-20)2-1-16-3-8-26-25(11-16)27(19-12-22(31)15-23(32)13-19)28(36-26)18-4-6-24(7-5-18)37-38(33,34)35/h1-15,27-32H,(H,33,34,35)/b2-1+</td><td>OC1=CC(\C=C\C2=CC3=C(OC(C3C3=CC(O)=CC(O)=C3)C3=CC=C(OS(O)(=O)=O)C=C3)C=C2)=CC(O)=C1</td><td>-4.891859497111906</td><td>-2.2391012264781636</td><td></td><td><a href="/entries/PHUB000317">Viniferin (delta-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001557">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1559"><td></td><td><a href="/entries/PHUB001559">trans-resveratrol-2-C-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001559</td><td>1559</td><td>390.131467668</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,4'-trihydroxystilbene 2-C-glucoside; trans-3,5,4'-trihydroxystilbene 2-C-glucoside</td><td class="structure"><img data-src="/structures/PHUB001559/image.svg" src="" /></td><td>YRYYDGVODITVQQ-DAFODLJHSA-N</td><td></td><td>6-{2,4-dihydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl}cyclohexane-1,2,3,4,5-pentol</td><td>390.388</td><td>2.88e+00 g/l</td><td>0.46</td><td>-2.13</td><td>InChI=1S/C20H22O8/c21-11-5-2-9(3-6-11)1-4-10-7-12(22)8-13(23)14(10)15-16(24)18(26)20(28)19(27)17(15)25/h1-8,15-28H/b4-1+</td><td>OC1C(O)C(O)C(C(O)C1O)C1=C(O)C=C(O)C=C1\C=C\C1=CC=C(O)C=C1</td><td>-3.390361798276411</td><td>8.568906325200556</td><td><a href="/food_sources/76">Grape wine</a> / <a href="/food_sources/322">Riesling wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001559">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1560"><td></td><td><a href="/entries/PHUB001560">cis-resveratrol 2-C-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001560</td><td>1560</td><td>390.131467668</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001560/image.svg" src="" /></td><td>YRYYDGVODITVQQ-RJRFIUFISA-N</td><td></td><td>6-{2,4-dihydroxy-6-[(1Z)-2-(4-hydroxyphenyl)ethenyl]phenyl}cyclohexane-1,2,3,4,5-pentol</td><td>390.388</td><td>2.88e+00 g/l</td><td>0.46</td><td>-2.13</td><td>InChI=1S/C20H22O8/c21-11-5-2-9(3-6-11)1-4-10-7-12(22)8-13(23)14(10)15-16(24)18(26)20(28)19(27)17(15)25/h1-8,15-28H/b4-1-</td><td>OC1C(O)C(O)C(C(O)C1O)C1=C(O)C=C(O)C=C1\C=C/C1=CC=C(O)C=C1</td><td>-3.390361798276411</td><td>9.06880909331439</td><td><a href="/food_sources/322">Riesling wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001560">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1561"><td></td><td><a href="/entries/PHUB001561">Dihydro-piceatannol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001561</td><td>1561</td><td>246.089208931</td><td>C<sub>14</sub>H<sub>14</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001561/image.svg" src="" /></td><td>KTLRRKBJXAJHJD-UHFFFAOYSA-N</td><td></td><td>4-[2-(3,5-dihydroxyphenyl)ethyl]benzene-1,2-diol</td><td>246.262</td><td>1.34e-01 g/l</td><td>1.94</td><td>-3.26</td><td>InChI=1S/C14H14O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h3-8,15-18H,1-2H2</td><td>OC1=CC(CCC2=CC(O)=C(O)C=C2)=CC(O)=C1</td><td>-5.665352787509908</td><td>9.119767628149397</td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/294">White wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001561">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1562"><td></td><td><a href="/entries/PHUB001562">Dehydro-glucosyl-piceatannol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001562</td><td>1562</td><td>404.1107</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001562/image.svg" src="" /></td><td></td><td></td><td></td><td>404.3674</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/294">White wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001562">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1563"><td></td><td><a href="/entries/PHUB001563">Dehydro-glucosyl-resveratrol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001563</td><td>1563</td><td>388.1158</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001563/image.svg" src="" /></td><td></td><td></td><td></td><td>388.368</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/294">White wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001563">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1564"><td></td><td><a href="/entries/PHUB001564">Viniferin (Omega-)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001564</td><td>1564</td><td>454.141638428</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001564/image.svg" src="" /></td><td>FQWLMRXWKZGLFI-VYEPLGKGSA-N</td><td></td><td>5-[(2S,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol</td><td>454.478</td><td>2.39e-03 g/l</td><td>4.52</td><td>-5.28</td><td>InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28-/m1/s1</td><td>OC1=CC=C(\C=C\C2=CC(O)=CC3=C2[C@H]([C@H](O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1</td><td>-4.905960186217109</td><td>8.507385040783499</td><td><a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001564">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1565"><td></td><td><a href="/entries/PHUB001565">Ampelopsin C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001565</td><td>1565</td><td>680.20463261</td><td>C<sub>42</sub>H<sub>32</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001565/image.svg" src="" /></td><td>QDEHKEFWCRAFDN-WTEBWGKASA-N</td><td></td><td>(1R,2S,3S,9R,10R,17R)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.0^{4,18}.0^{7,19}.0^{11,16}]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol</td><td>680.709</td><td>1.67e-03 g/l</td><td>5.16</td><td>-5.61</td><td>InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40+,42+/m1/s1</td><td>[H][C@]1(OC2=C3C4=C(C(O)=C2)[C@]([H])(C2=CC=C(O)C=C2)[C@@]([H])(C2=CC(O)=CC(O)=C2)[C@]4([H])[C@]([H])(C2=CC=C(O)C=C2)C2=C(C=C(O)C=C2O)[C@@]13[H])C1=CC=C(O)C=C1</td><td>-5.453815041176258</td><td>8.795628335225938</td><td><a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001565">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1566"><td></td><td><a href="/entries/PHUB001566">Isohopeaphenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001566</td><td>1566</td><td>906.267626792</td><td>C<sub>56</sub>H<sub>42</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001566/image.svg" src="" /></td><td>YQQUILZPDYJDQJ-UHFFFAOYSA-N</td><td></td><td>8,16-bis(4-hydroxyphenyl)-9-[4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0^{2,7}.0^{14,17}]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.0^{2,7}.0^{14,17}]heptadeca-2,4,6,10(17),11,13-hexaene-4,6,12-triol</td><td>906.94</td><td>1.25e-03 g/l</td><td>6.06</td><td>-5.86</td><td>InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H</td><td>OC1=CC=C(C=C1)C1OC2=CC(O)=CC3=C2C1C1=CC(O)=CC(O)=C1C(C3C1C(C2=CC=C(O)C=C2)C2=C(C=C(O)C=C2O)C2C(OC3=CC(O)=CC1=C23)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1</td><td>-5.453797325975367</td><td>8.690628616990859</td><td><a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001566">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1567"><td></td><td><a href="/entries/PHUB001567">Hopeaphenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001567</td><td>1567</td><td>906.267626792</td><td>C<sub>56</sub>H<sub>42</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001567/image.svg" src="" /></td><td>YQQUILZPDYJDQJ-ZFGQVWOOSA-N</td><td></td><td>(8S,16S)-8,16-bis(4-hydroxyphenyl)-9-[(8S,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0^{2,7}.0^{14,17}]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.0^{2,7}.0^{14,17}]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol</td><td>906.94</td><td>1.25e-03 g/l</td><td>6.06</td><td>-5.86</td><td>InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51?,52?,53?,54?,55+,56+/m0/s1</td><td>OC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC3=C2C1C1=C([C@@H](C3C2[C@@H](C3=CC=C(O)C=C3)C3=C(C=C(O)C=C3O)C3[C@H](OC4=CC(O)=CC2=C34)C2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C(O)=CC(O)=C1</td><td>-5.453797325975367</td><td>8.690628616990859</td><td><a href="/food_sources/338">red African wine</a> / <a href="/food_sources/340">rosé African wine</a> / <a href="/food_sources/339">white African wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001567">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1568"><td></td><td><a href="/entries/PHUB001568">Quadrangularin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001568</td><td>1568</td><td>454.141638428</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001568/image.svg" src="" /></td><td>BIQMSWPBPAKGSE-AQHIEDMUSA-N</td><td></td><td>(1E)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indene-4,6-diol</td><td>454.478</td><td>3.36e-03 g/l</td><td>4.08</td><td>-5.13</td><td>InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9-</td><td>[H]\C(=C1\C(C(C2=C1C=C(O)C=C2O)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1</td><td>-5.465631143541424</td><td>8.306599216474755</td><td><a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001568">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1569"><td></td><td><a href="/entries/PHUB001569">Rheumlhasol A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001569</td><td>1569</td><td>678.225368055</td><td>C<sub>43</sub>H<sub>34</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001569/image.svg" src="" /></td><td>FIVYPMMOJFDIJA-GLIQVXICSA-N</td><td></td><td>5-[(2R,3S)-5-[(1Z)-2-[1-(3,5-dihydroxyphenyl)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-5-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol</td><td>678.737</td><td>5.43e-04 g/l</td><td>6.09</td><td>-6.10</td><td>InChI=1S/C43H34O8/c44-30-8-4-25(5-9-30)36-20-27-13-24(15-38(50)42(27)40(36)28-16-32(46)21-33(47)17-28)2-1-23-3-12-39-37(14-23)41(29-18-34(48)22-35(49)19-29)43(51-39)26-6-10-31(45)11-7-26/h1-19,21-22,36,40-41,43-50H,20H2/b2-1-/t36?,40?,41-,43-/m0/s1</td><td>OC1=CC=C(C=C1)C1CC2=C(C1C1=CC(O)=CC(O)=C1)C(O)=CC(\C=C/C1=CC=C3O[C@H]([C@H](C3=C1)C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1)=C2</td><td>-4.8901667238854865</td><td>8.744945708440515</td><td><a href="/food_sources/341">rhubarb root</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001569">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1570"><td></td><td><a href="/entries/PHUB001570">Rheumlhasol B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001570</td><td>1570</td><td>680.20463261</td><td>C<sub>42</sub>H<sub>32</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001570/image.svg" src="" /></td><td>ILKUAMNCIPRCGT-DHLZJISCSA-N</td><td></td><td>5-{6-[(1E)-2-[(2R,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol</td><td>680.709</td><td>9.53e-04 g/l</td><td>6.05</td><td>-5.85</td><td>InChI=1S/C42H32O9/c43-28-8-4-24(5-9-28)41-38(26-16-30(45)20-31(46)17-26)34-13-22(3-12-36(34)50-41)1-2-23-14-35(49)40-37(15-23)51-42(25-6-10-29(44)11-7-25)39(40)27-18-32(47)21-33(48)19-27/h1-21,38-39,41-49H/b2-1+/t38-,39?,41-,42?/m0/s1</td><td>OC1=CC=C(C=C1)[C@@H]1OC2=CC=C(\C=C\C3=CC4=C(C(C(O4)C4=CC=C(O)C=C4)C4=CC(O)=CC(O)=C4)C(O)=C3)C=C2[C@@H]1C1=CC(O)=CC(O)=C1</td><td>-4.8901679368605</td><td>8.547638019277354</td><td><a href="/food_sources/341">rhubarb root</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001570">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1573"><td></td><td><a href="/entries/PHUB001573">Rhaponticin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001573</td><td>1573</td><td>420.142032353</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001573/image.svg" src="" /></td><td>GKAJCVFOJGXVIA-DXKBKAGUSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>420.414</td><td>5.85e-01 g/l</td><td>0.70</td><td>-2.86</td><td>InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1</td><td>COC1=C(O)C=C(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1</td><td>-2.981092343730565</td><td>8.711220561940094</td><td><a href="/food_sources/341">rhubarb root</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001573">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1574"><td></td><td><a href="/entries/PHUB001574">Gnetin C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001574</td><td>1574</td><td>454.141638428</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001574/image.svg" src="" /></td><td>KVGHRSAHESCTFR-PDCCCBJGSA-N</td><td></td><td>5-[(2S,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol</td><td>454.478</td><td>2.71e-03 g/l</td><td>4.52</td><td>-5.22</td><td>InChI=1S/C28H22O6/c29-20-7-3-16(4-8-20)1-2-17-11-24(33)27-25(12-17)34-28(18-5-9-21(30)10-6-18)26(27)19-13-22(31)15-23(32)14-19/h1-15,26,28-33H/b2-1+/t26-,28+/m0/s1</td><td>OC1=CC=C(\C=C\C2=CC(O)=C3[C@@H]([C@H](OC3=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1</td><td>-4.9044694627882315</td><td>8.542801160761988</td><td><a href="/food_sources/341">rhubarb root</a></td><td><a href="/entries/PHUB001574">Gnetin C</a> / <a href="/entries/PHUB002862">Gnetin C glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001574">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1575"><td></td><td><a href="/entries/PHUB001575">Amuerensin G</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001575</td><td>1575</td><td>680.20463261</td><td>C<sub>42</sub>H<sub>32</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001575/image.svg" src="" /></td><td>MBGBQHRAJPLAPN-DMGQSWNOSA-N</td><td></td><td>(1S,2R,3R,9S,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.0^{4,18}.0^{7,19}.0^{11,16}]nonadeca-4,6,11(16),12,14,18-hexaene-5,13,15-triol</td><td>680.709</td><td>1.76e-03 g/l</td><td>5.17</td><td>-5.59</td><td>InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40-,42+/m0/s1</td><td>[H][C@@]12[C@H]([C@@H](C3=C(O)C=C4O[C@H](C5=CC=C(O)C=C5)[C@]([H])(C4=C13)C1=C([C@@H]2C2=CC=C(O)C=C2)C(O)=CC(O)=C1)C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1</td><td>-5.453814627640375</td><td>8.784372239915914</td><td><a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001575">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1576"><td></td><td><a href="/entries/PHUB001576">Scirpusin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001576</td><td>1576</td><td>470.136553048</td><td>C<sub>28</sub>H<sub>22</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001576/image.svg" src="" /></td><td>VJVQHVVOEFJLIO-DAFODLJHSA-N</td><td></td><td>4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol</td><td>470.477</td><td>4.01e-03 g/l</td><td>4.15</td><td>-5.07</td><td>InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1+</td><td>[H]\C(=C(\[H])C1=CC(O)=CC2=C1C(C(O2)C1=CC(O)=C(O)C=C1)C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1</td><td>-4.9059678274127805</td><td>8.470321504813322</td><td><a href="/food_sources/76">Grape wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001576">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1579"><td></td><td><a href="/entries/PHUB001579">Resorcinol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,3-dihydroxybenzene</td><td>PHUB001579</td><td>1579</td><td>110.036779433</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>1,3-benzenediol; 1,3-dihydroxybenzene; benzene-1,3-diol</td><td class="structure"><img data-src="/structures/PHUB001579/image.svg" src="" /></td><td>GHMLBKRAJCXXBS-UHFFFAOYSA-N</td><td>108-46-3</td><td>benzene-1,3-diol</td><td>110.112</td><td>8.23e+01 g/l</td><td>0.70</td><td>-0.13</td><td>InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H</td><td>OC1=CC(O)=CC=C1</td><td>-5.663505847935282</td><td>9.26428499493661</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001579">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1580"><td></td><td><a href="/entries/PHUB001580">Quercetin 7-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001580</td><td>1580</td><td>381.999467696</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>10</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001580/image.svg" src="" /></td><td>JBZKUBCDMZUWNG-UHFFFAOYSA-N</td><td></td><td>[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid</td><td>382.3</td><td>5.01e-01 g/l</td><td>0.64</td><td>-2.88</td><td>InChI=1S/C15H10O10S/c16-8-2-1-6(3-9(8)17)15-14(20)13(19)12-10(18)4-7(5-11(12)24-15)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)</td><td>OC1=C(O)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1</td><td>-4.116860606105872</td><td>-2.6066821209238245</td><td></td><td><a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001580">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1581"><td></td><td><a href="/entries/PHUB001581">Salicyluric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2ʹ-hydroxyhippuric acid</td><td>PHUB001581</td><td>1581</td><td>195.053157774</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>2-(2-hydroxybenzamido)acetic acid; 2-Hydroxyhippuric acid; 2ʹ-hydroxyhippuric acid; N-(2-Hydroxybenzoyl)-glycine; O-Hydroxyhippuric acid; Salicyloylglycine</td><td class="structure"><img data-src="/structures/PHUB001581/image.svg" src="" /></td><td>ONJSZLXSECQROL-UHFFFAOYSA-N</td><td>487-54-7</td><td>2-[(2-hydroxyphenyl)formamido]acetic acid</td><td>195.174</td><td>4.04e+00 g/l</td><td>0.51</td><td>-1.68</td><td>InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)</td><td>OC(=O)CNC(=O)C1=C(O)C=CC=C1</td><td>-1.8536860417511456</td><td>3.2728802708317217</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001581">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1582"><td></td><td><a href="/entries/PHUB001582">Benzoic acid-4-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Benzoic acid-4-glucuronide</td><td>PHUB001582</td><td>1582</td><td>314.063782031</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-Hydroxybenozic acid-4-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001582/image.svg" src="" /></td><td>DKNOHNCMCYDVLT-UHFFFAOYSA-N</td><td></td><td>6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>314.246</td><td>1.14e+01 g/l</td><td>-0.56</td><td>-1.44</td><td>InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-5(2-4-6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)</td><td>OC1C(O)C(OC2=CC=C(C=C2)C(O)=O)OC(C1O)C(O)=O</td><td>-3.686826761383488</td><td>3.0259087917497633</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001582">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1583"><td></td><td><a href="/entries/PHUB001583">Benzoic acid-4-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Benzoic acid-4-sulfate</td><td>PHUB001583</td><td>1583</td><td>217.988509087</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-Hydroxybenzoic acid-4-O-sulfate</td><td class="structure"><img data-src="/structures/PHUB001583/image.svg" src="" /></td><td>RJTYSXVYCZAUHE-UHFFFAOYSA-N</td><td></td><td>4-(sulfooxy)benzoic acid</td><td>218.18</td><td>2.78e+00 g/l</td><td>-0.91</td><td>-1.89</td><td>InChI=1S/C7H6O6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12)</td><td>OC(=O)C1=CC=C(OS(O)(=O)=O)C=C1</td><td></td><td>-2.5663350291443185</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001583">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1584"><td></td><td><a href="/entries/PHUB001584">4-Hydroxymandelic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-2-hydroxy-2-(4'-hydroxyphenyl)acetic acid</td><td>PHUB001584</td><td>1584</td><td>168.042258738</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>(4-hydroxyphenyl)-2-hydroxyacetic acid; (4-hydroxyphenyl)-2-hydroxyethanoic acid; (4'-hydroxyphenyl)-2-hydroxyacetic acid; 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid; 2-hydroxy-2-(4'-hydroxyphenyl)acetic acid; 2-hydroxy-2-(4â-hydroxyphenyl)ethanoic acid; 4-Hydroxy-L-mandelic acid; 4'-Hydroxymandelic acid</td><td class="structure"><img data-src="/structures/PHUB001584/image.svg" src="" /></td><td>YHXHKYRQLYQUIH-UHFFFAOYSA-N</td><td>1198-84-1</td><td>2-hydroxy-2-(4-hydroxyphenyl)acetic acid</td><td>168.148</td><td>7.69e+00 g/l</td><td>0.86</td><td>-1.34</td><td>InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)</td><td>OC(C(O)=O)C1=CC=C(O)C=C1</td><td>-4.105652938089659</td><td>3.3028147671822805</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001584">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1585"><td></td><td><a href="/entries/PHUB001585">Vanillylmandelic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-2-hydroxy-2-(4'-hydroxy-3'methoxyphenyl)acetic acid</td><td>PHUB001585</td><td>1585</td><td>198.052823422</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>(4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid; (4-hydroxy-3-methoxyphenyl)-2-hydroxyethanoic acid; (4'-hydroxy-3'-methoxyphenyl)-2-hydroxyacetic acid; 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid; 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethanoic acid; 2-hydroxy-2-(4'-hydroxy-3'methoxyphenyl)acetic acid; 2S-Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid; 3-Methoxy-4-hydroxymandelic acid; 3'-Methoxy-4'-hydroxymandelic acid; 4-hydroxy-3-methoxy-L-mandelic acid; 4-hydroxy-3-methoxymandelic acid; 4'-hydroxy-3'-methoxymandelic acid; Vanill mandelic acid</td><td class="structure"><img data-src="/structures/PHUB001585/image.svg" src="" /></td><td>CGQCWMIAEPEHNQ-UHFFFAOYSA-N</td><td>55-10-7, 2394-20-9</td><td>2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid</td><td>198.174</td><td>5.16e+00 g/l</td><td>0.94</td><td>-1.58</td><td>InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)</td><td>COC1=C(O)C=CC(=C1)C(O)C(O)=O</td><td>-4.128024057113833</td><td>3.113631257291667</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001585">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1586"><td></td><td><a href="/entries/PHUB001586">3-Phenylpropionic acid-4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(phenyl)propanoic acid-4'-glucuronide</td><td>PHUB001586</td><td>1586</td><td>342.09508216</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(phenyl)propionic acid-4-glucuronide; 3-(Phenyl)propionic acid-4'-glucuronide; 4-Hydroxy-dihydrocinnamic acid-4-glucuronide; p-Hydroxy-dihydrocinnamic acid-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001586/image.svg" src="" /></td><td>CRPJAKFIDGRHLV-UHFFFAOYSA-N</td><td></td><td>6-[4-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>342.3</td><td>5.29e+00 g/l</td><td>-0.13</td><td>-1.81</td><td>InChI=1S/C15H18O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-2,4-5,10-13,15,18-20H,3,6H2,(H,16,17)(H,21,22)</td><td>OC1C(O)C(OC2=CC=C(CCC(O)=O)C=C2)OC(C1O)C(O)=O</td><td>-3.6868267613770525</td><td>3.1654511419130804</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001586">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1588"><td></td><td><a href="/entries/PHUB001588">Dihydrocaffeic acid-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(4'-hydroxyphenyl)propanoic acid-3'-sulfate</td><td>PHUB001588</td><td>1588</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(4-hydroxyphenyl)propanoic acid-3-sulfate; 3-(4-hydroxyphenyl)propionic acid-3-sulfate; 3-(4-Hydroxyphenyl)propionic acid-3'-O-sulfate; dihydrocaffeic acid-3-sulfate</td><td class="structure"><img data-src="/structures/PHUB001588/image.svg" src="" /></td><td>MIMULQQHBAZGER-UHFFFAOYSA-N</td><td>1187945-70-5</td><td>3-[4-hydroxy-3-(sulfooxy)phenyl]propanoic acid</td><td>262.23</td><td>2.15e+00 g/l</td><td>-0.63</td><td>-2.09</td><td>InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15)</td><td>OC(=O)CCC1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td>-4.413439904857457</td><td>-2.231573080921956</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB001447">Coffee hydroxycinnamates</a> / <a href="/entries/PHUB000608">Ferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001588">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1589"><td></td><td><a href="/entries/PHUB001589">3-(3'-Methoxyphenyl)propionic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3'-methoxyphenyl)propanoic acid</td><td>PHUB001589</td><td>1589</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3-methoxyphenyl)propanoic acid; 3-(3-methoxyphenyl)propionic acid; 3-Methoxy-dihydrocinnamic acid</td><td class="structure"><img data-src="/structures/PHUB001589/image.svg" src="" /></td><td>BJJQJLOZWBZEGA-UHFFFAOYSA-N</td><td>10516-71-9</td><td>3-(3-methoxyphenyl)propanoic acid</td><td>180.203</td><td>6.98e-01 g/l</td><td>1.86</td><td>-2.41</td><td>InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)</td><td>COC1=CC=CC(CCC(O)=O)=C1</td><td>-4.825837474047496</td><td>4.310275000788079</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001589">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1590"><td></td><td><a href="/entries/PHUB001590">3-(4'-Methoxyphenyl)propionic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(4'-methoxyphenyl)propanoic acid</td><td>PHUB001590</td><td>1590</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(4-Methoxyphenyl)propanoic acid; 3-(4-methoxyphenyl)propionic acid; 4-Methoxy-dihydrocinnamic acid</td><td class="structure"><img data-src="/structures/PHUB001590/image.svg" src="" /></td><td>FIUFLISGGHNPSM-UHFFFAOYSA-N</td><td>1929-29-9</td><td>3-(4-methoxyphenyl)propanoic acid</td><td>180.203</td><td>6.47e-01 g/l</td><td>1.88</td><td>-2.44</td><td>InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)</td><td>COC1=CC=C(CCC(O)=O)C=C1</td><td>-4.824681111668884</td><td>4.309949499587938</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001590">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1592"><td></td><td><a href="/entries/PHUB001592">Dihydroisoferulic acid-3'-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(4'-methoxyphenyl)propanoic acid-3'-sulfate</td><td>PHUB001592</td><td>1592</td><td>276.0303739</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(4-methoxyphenyl)propanoic acid-3-sulfate; 3-(4-Methoxyphenyl)propionic-3-O-sulfate; 3-(4â²-Methoxyphenyl)propionic-3â²-O-sulfate; dihydro-isoferulic acid-3-sulfate</td><td class="structure"><img data-src="/structures/PHUB001592/image.svg" src="" /></td><td>QZIYZVFIROFZCV-UHFFFAOYSA-N</td><td>1258842-21-5</td><td>3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid</td><td>276.26</td><td>7.53e-01 g/l</td><td>-0.57</td><td>-2.56</td><td>InChI=1S/C10H12O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15)</td><td>COC1=C(OS(O)(=O)=O)C=C(CCC(O)=O)C=C1</td><td>-4.917150632510777</td><td>-2.1326724306635874</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001592">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1593"><td></td><td><a href="/entries/PHUB001593">3-(Phenyl)hydracrylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-3-hydroxy-3-(phenyl)propanoic acid</td><td>PHUB001593</td><td>1593</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(phenyl)-3-hydroxypropanoic acid; 3-Hydroxy-3-(phenyl)propanoic acid</td><td class="structure"><img data-src="/structures/PHUB001593/image.svg" src="" /></td><td>AYOLELPCNDVZKZ-UHFFFAOYSA-N</td><td>3480-87-3</td><td>3-hydroxy-3-phenylpropanoic acid</td><td>166.176</td><td>1.11e+01 g/l</td><td>0.75</td><td>-1.18</td><td>InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)</td><td>OC(CC(O)=O)C1=CC=CC=C1</td><td>-3.1404587460080378</td><td>4.370497714392567</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001593">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1594"><td></td><td><a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Hydroxycinnamic acid-3'-sulfate</td><td>PHUB001594</td><td>1594</td><td>259.999073772</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001594/image.svg" src="" /></td><td>VWQNTRNACRFUCQ-DUXPYHPUSA-N</td><td></td><td>(2E)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid</td><td>260.22</td><td>7.54e-01 g/l</td><td>-0.37</td><td>-2.54</td><td>InChI=1S/C9H8O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+</td><td>OC(=O)\C=C\C1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td>-4.407550401842359</td><td>-2.3026952822384072</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a> / <a href="/entries/PHUB002644">Grape (Poly)phenols</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a> / <a href="/entries/PHUB002648">Red Raspberries Anthocyanins</a> / <a href="/entries/PHUB001447">Coffee hydroxycinnamates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001594">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1595"><td></td><td><a href="/entries/PHUB001595">Naringenin-7-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001595</td><td>1595</td><td>434.121296908</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Prunin</td><td class="structure"><img data-src="/structures/PHUB001595/image.svg" src="" /></td><td>DLIKSSGEMUFQOK-SFTVRKLSSA-N</td><td>529-55-5</td><td>(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>434.397</td><td>1.53e+00 g/l</td><td>0.17</td><td>-2.45</td><td>InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-2.9810923437586574</td><td>8.579384760542238</td><td><a href="/food_sources/71">Tomato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001595">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1598"><td></td><td><a href="/entries/PHUB001598">Cyanidin 3-O-(6''-acetyl-galactoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001598</td><td>1598</td><td>491.118402601</td><td>C<sub>23</sub>H<sub>23</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001598/image.svg" src="" /></td><td>HBXXDBKJLPLXPR-DLBZZEGUSA-O</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>491.424</td><td>4.12e-01 g/l</td><td>1.14</td><td>-3.11</td><td>InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19+,20+,21-,23-/m1/s1</td><td>[H][C@]1(COC(C)=O)O[C@@]([H])(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O</td><td>-3.6491028802268493</td><td>6.388329618750466</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001598">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1599"><td></td><td><a href="/entries/PHUB001599">Cyanidin 3-O-(6''-acetyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001599</td><td>1599</td><td>491.118402601</td><td>C<sub>23</sub>H<sub>23</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001599/image.svg" src="" /></td><td>HBXXDBKJLPLXPR-DLBZZEGUSA-O</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>491.424</td><td>4.12e-01 g/l</td><td>1.14</td><td>-3.11</td><td>InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19+,20+,21-,23-/m1/s1</td><td>[H][C@]1(COC(C)=O)O[C@@]([H])(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O</td><td>-3.6491028802268493</td><td>6.388329618750466</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001599">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1600"><td></td><td><a href="/entries/PHUB001600">Cyanidin 3-O-(6''-caffeoyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001600</td><td>1600</td><td>611.13953197</td><td>C<sub>30</sub>H<sub>27</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001600/image.svg" src="" /></td><td>RTVUMLBJQCCROY-SHPGVJHPSA-O</td><td></td><td>2-(3,4-dihydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>611.531</td><td>9.49e-02 g/l</td><td>3.05</td><td>-3.83</td><td>InChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24-,26-,27+,28-,30-/m1/s1</td><td>O[C@@H]1[C@@H](COC(=O)\C=C\C2=CC(O)=C(O)C=C2)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O</td><td>-3.678969695794637</td><td>6.387673339629411</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001600">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1601"><td></td><td><a href="/entries/PHUB001601">Cyanidin 3-O-(6''-dioxalyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001601</td><td>1601</td><td>592.070049184</td><td>C<sub>25</sub>H<sub>20</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001601/image.svg" src="" /></td><td>NVVPFBWPZCYUJK-UHFFFAOYSA-N</td><td></td><td>3-({6-[({2-[(carboxylatocarbonyl)oxy]-2-oxoacetyl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>592.418</td><td>2.59e-01 g/l</td><td>2.22</td><td>-3.40</td><td>InChI=1S/C25H20O17/c26-9-4-12(28)10-6-15(20(39-14(10)5-9)8-1-2-11(27)13(29)3-8)40-25-19(32)18(31)17(30)16(41-25)7-38-23(36)24(37)42-22(35)21(33)34/h1-6,16-19,25,30-32H,7H2,(H4-,26,27,28,29,33,34,36,37)</td><td>OC1C(O)C(COC(=O)C(=O)OC(=O)C([O-])=O)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C1O</td><td>-3.649112314374945</td><td>1.5789343248527037</td><td><a href="/food_sources/157">Blackberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001601">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1602"><td></td><td><a href="/entries/PHUB001602">Cyanidin 3-O-(6''-malonyl-3''-glucosyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001602</td><td>1602</td><td>697.161055263</td><td>C<sub>30</sub>H<sub>33</sub>O<sub>19</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001602/image.svg" src="" /></td><td>RLENKWQMUNAYFI-YSNKQLGASA-O</td><td></td><td>3-{[(2S,3S,4S,5R,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,5-dihydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>697.574</td><td>1.30e+00 g/l</td><td>0.83</td><td>-2.75</td><td>InChI=1S/C30H32O19/c31-8-18-22(39)24(41)25(42)29(47-18)49-28-23(40)19(9-44-21(38)7-20(36)37)48-30(26(28)43)46-17-6-12-14(34)4-11(32)5-16(12)45-27(17)10-1-2-13(33)15(35)3-10/h1-6,18-19,22-26,28-31,39-43H,7-9H2,(H4-,32,33,34,35,36,37)/p+1/t18-,19-,22+,23-,24+,25-,26+,28+,29+,30-/m1/s1</td><td>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O</td><td>-3.6786216345400935</td><td>3.232713206752682</td><td><a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001602">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1603"><td></td><td><a href="/entries/PHUB001603">Cyanidin 3-O-(6''-malonyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001603</td><td>1603</td><td>549.088593556</td><td>C<sub>24</sub>H<sub>21</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside; cyanidin 3-O-(6-O-malonyl-β-D-glucoside)</td><td class="structure"><img data-src="/structures/PHUB001603/image.svg" src="" /></td><td>URVJYTCBPQJMHX-XRACCFGSSA-M</td><td>171828-62-9</td><td>3-oxo-3-{[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-{[5-hydroxy-7-oxo-2-(3,4,5-trihydroxyphenyl)-7H-chromen-3-yl]oxy}oxan-2-yl]methoxy}propanoate</td><td>549.418</td><td>9.54e-01 g/l</td><td>1.22</td><td>-2.77</td><td>InChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,26-28,32-35H,6-7H2,(H,29,30)/p-1/t16-,20-,21+,22-,24?/m1/s1</td><td>O[C@H]1[C@H](O)[C@@H](COC(=O)CC([O-])=O)OC(OC2=C(OC3=CC(=O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@@H]1O</td><td>-3.649103045605456</td><td>3.485974417583317</td><td><a href="/food_sources/157">Blackberry</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/401">red onion</a></td><td><a href="/entries/PHUB001603">Cyanidin 3-O-(6''-malonyl-glucoside)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001603">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1604"><td></td><td><a href="/entries/PHUB001604">Cyanidin 3-O-(6''-p-coumaroyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001604</td><td>1604</td><td>595.14461735</td><td>C<sub>30</sub>H<sub>27</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001604/image.svg" src="" /></td><td>QAOBEOXFSUJDJL-UHFFFAOYSA-O</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>595.532</td><td>5.99e-02 g/l</td><td>3.23</td><td>-4.02</td><td>InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1</td><td>OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)C(O)C1O</td><td>-3.6491103548953903</td><td>6.387905724304622</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001604">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1605"><td></td><td><a href="/entries/PHUB001605">Cyanidin 3-O-(6''-succinyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001605</td><td>1605</td><td>549.123881905</td><td>C<sub>25</sub>H<sub>25</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001605/image.svg" src="" /></td><td>MIYGQTFETYBMKF-WVXUANQFSA-O</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>549.46</td><td>3.63e-01 g/l</td><td>1.68</td><td>-3.21</td><td>InChI=1S/C25H24O14/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31)/p+1/t18-,21-,22+,23-,25-/m1/s1</td><td>[H][C@]1(COC(=O)CCC(O)=O)O[C@@]([H])(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-3.6491029757081352</td><td>3.661662511204582</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001605">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1606"><td></td><td><a href="/entries/PHUB001606">Cyanidin 3-O-glucosyl-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001606</td><td>1606</td><td>757.21857014</td><td>C<sub>33</sub>H<sub>41</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[3,4,5-trihydroxy-; Cyanidin 3-(2G-glucosylrutinoside)</td><td class="structure"><img data-src="/structures/PHUB001606/image.svg" src="" /></td><td>MSUVUDCULKNUJL-UHFFFAOYSA-O</td><td>55028-57-4</td><td>3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>757.67</td><td>4.16e+00 g/l</td><td>-0.05</td><td>-2.28</td><td>InChI=1S/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1</td><td>CC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O</td><td>-3.6786228441183995</td><td>6.388326300212073</td><td><a href="/food_sources/256">Red raspberry</a> / <a href="/food_sources/129">Redcurrant</a></td><td><a href="/entries/PHUB001606">Cyanidin 3-O-glucosyl-rutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001606">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1607"><td></td><td><a href="/entries/PHUB001607">Cyanidin 3-O-sambubioside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001607</td><td>1607</td><td>581.150096654</td><td>C<sub>26</sub>H<sub>29</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cyanidin 3-O-β-D-sambubioside; Cyanidin 3-sambubioside</td><td class="structure"><img data-src="/structures/PHUB001607/image.svg" src="" /></td><td>ZPPQIOUITZSYAO-AOBOYTTNSA-O</td><td>33012-73-6</td><td>3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>581.502</td><td>1.21e+00 g/l</td><td>0.33</td><td>-2.71</td><td>InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</td><td>-3.648692263814524</td><td>6.388326660659691</td><td><a href="/food_sources/62">Elderberry</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB001607">Cyanidin 3-O-sambubioside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001607">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1608"><td></td><td><a href="/entries/PHUB001608">Cyanidin 3-O-sambubiosyl 5-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001608</td><td>1608</td><td>743.202920076</td><td>C<sub>32</sub>H<sub>39</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001608/image.svg" src="" /></td><td>OLBLWNPOURNBCY-UHFFFAOYSA-O</td><td></td><td>3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>743.643</td><td>3.17e+00 g/l</td><td>-0.56</td><td>-2.39</td><td>InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1</td><td>OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O</td><td>-3.672687980513539</td><td>6.648190551935247</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001608">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1609"><td></td><td><a href="/entries/PHUB001609">Cyanidin 3-O-sophoroside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001609</td><td>1609</td><td>611.160661338</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cyanidin 3-glycosides; Disaccharides, 3-O-[β-D-Glucopyranosyl-(1â2)-β-D-glucopyranoside]; Cyanidin 3-sophoroside</td><td class="structure"><img data-src="/structures/PHUB001609/image.svg" src="" /></td><td>SXYMMDGPXYVCER-WGNLCONDSA-O</td><td></td><td>3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>611.528</td><td>1.91e+00 g/l</td><td>0.09</td><td>-2.53</td><td>InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1</td><td>OC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H
8](O)[C@@H](O)[C@@H]1O</td><td>-3.64869226480195</td><td>6.388326655813533</td><td><a href="/food_sources/256">Red raspberry</a> / <a href="/food_sources/129">Redcurrant</a></td><td><a href="/entries/PHUB001609">Cyanidin 3-O-sophoroside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001609">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1610"><td></td><td><a href="/entries/PHUB001610">Cyanidin 3-O-xyloside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001610</td><td>1610</td><td>419.097273232</td><td>C<sub>20</sub>H<sub>19</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001610/image.svg" src="" /></td><td>SBBFXSBQYRSIPP-SOAMZJECSA-O</td><td></td><td>3-{[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>419.361</td><td>4.06e-01 g/l</td><td>1.45</td><td>-3.05</td><td>InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17-,18-,20-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H]1O</td><td>-2.9811524252368704</td><td>6.388329710176589</td><td><a href="/food_sources/157">Blackberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001610">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1611"><td></td><td><a href="/entries/PHUB001611">Cyanidin 3-O-xylosyl-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001611</td><td>1611</td><td>727.208005456</td><td>C<sub>32</sub>H<sub>39</sub>O<sub>19</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cyanidin 3-(2G-xylosylrutinoside)</td><td class="structure"><img data-src="/structures/PHUB001611/image.svg" src="" /></td><td>ZSWXIMXLLJRVFT-UHFFFAOYSA-O</td><td></td><td>3-[(4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>727.644</td><td>2.74e+00 g/l</td><td>0.10</td><td>-2.45</td><td>InChI=1S/C32H38O19/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36)/p+1</td><td>CC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O</td><td>-3.676496932449043</td><td>6.388326302917651</td><td><a href="/food_sources/129">Redcurrant</a></td><td><a href="/entries/PHUB001611">Cyanidin 3-O-xylosyl-rutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001611">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1612"><td></td><td><a href="/entries/PHUB001612">Delphinidin 3,5-O-diglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001612</td><td>1612</td><td>627.155575958</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001612/image.svg" src="" /></td><td>XCTGXGVGJYACEI-LCENJUANSA-O</td><td></td><td>7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>627.527</td><td>1.61e+00 g/l</td><td>-0.28</td><td>-2.61</td><td>InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.678946886908562</td><td>6.612642983134364</td><td><a href="/food_sources/347">Pomegranate juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001612">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1613"><td></td><td><a href="/entries/PHUB001613">Delphinidin 3-O-(6''-acetyl-galactoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001613</td><td>1613</td><td>507.113317221</td><td>C<sub>23</sub>H<sub>23</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001613/image.svg" src="" /></td><td>QPXIWIXIRHZIMM-UHFFFAOYSA-O</td><td></td><td>3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>507.423</td><td>5.13e-01 g/l</td><td>1.75</td><td>-3.02</td><td>InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1</td><td>CC(=O)OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O</td><td>-3.6491028802268493</td><td>6.366609767263602</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001613">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1614"><td></td><td><a href="/entries/PHUB001614">Delphinidin 3-O-(6''-acetyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001614</td><td>1614</td><td>507.113317221</td><td>C<sub>23</sub>H<sub>23</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001614/image.svg" src="" /></td><td>QPXIWIXIRHZIMM-OXUVVOBNSA-O</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>507.423</td><td>5.22e-01 g/l</td><td>1.36</td><td>-3.02</td><td>InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19-,20+,21-,23-/m1/s1</td><td>[H][C@]1(COC(C)=O)O[C@@]([H])(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-3.6491028802268493</td><td>6.366609767263602</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001614">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1615"><td></td><td><a href="/entries/PHUB001615">Delphinidin 3-O-(6''-malonyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001615</td><td>1615</td><td>549.088593556</td><td>C<sub>24</sub>H<sub>21</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001615/image.svg" src="" /></td><td>URVJYTCBPQJMHX-XRACCFGSSA-M</td><td></td><td>3-oxo-3-{[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-{[5-hydroxy-7-oxo-2-(3,4,5-trihydroxyphenyl)-7H-chromen-3-yl]oxy}oxan-2-yl]methoxy}propanoate</td><td>549.418</td><td>9.54e-01 g/l</td><td>1.22</td><td>-2.77</td><td>InChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,26-28,32-35H,6-7H2,(H,29,30)/p-1/t16-,20-,21+,22-,24?/m1/s1</td><td>O[C@H]1[C@H](O)[C@@H](COC(=O)CC([O-])=O)OC(OC2=C(OC3=CC(=O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@@H]1O</td><td>-3.649103045605456</td><td>3.485974417583317</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001615">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1616"><td></td><td><a href="/entries/PHUB001616">Delphinidin 3-O-(6''-p-coumaroyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001616</td><td>1616</td><td>611.13953197</td><td>C<sub>30</sub>H<sub>27</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001616/image.svg" src="" /></td><td>DHTPVCYNNWQRMN-LHRGPQAGSA-O</td><td></td><td>5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>611.531</td><td>1.14e-01 g/l</td><td>3.08</td><td>-3.75</td><td>InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1</td><td>O[C@@H]1[C@@H](COC(=O)\C=C\C2=CC=C(O)C=C2)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O</td><td>-3.6789696957946796</td><td>6.366206630280113</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001616">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1617"><td></td><td><a href="/entries/PHUB001617">Delphinidin 3-O-arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001617</td><td>1617</td><td>435.092187852</td><td>C<sub>20</sub>H<sub>19</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001617/image.svg" src="" /></td><td>XZUBZVMZVWFBNE-RDOJZNBBSA-O</td><td></td><td>5,7-dihydroxy-3-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>435.36</td><td>5.66e-01 g/l</td><td>1.25</td><td>-2.92</td><td>InChI=1S/C20H18O11/c21-8-3-10(22)9-5-15(31-20-18(28)17(27)13(25)6-29-20)19(30-14(9)4-8)7-1-11(23)16(26)12(24)2-7/h1-5,13,17-18,20,25,27-28H,6H2,(H4-,21,22,23,24,26)/p+1/t13-,17-,18+,20+/m0/s1</td><td>O[C@H]1CO[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O</td><td>-3.5265985690834403</td><td>6.3666130787505235</td><td><a href="/food_sources/165">Blueberry</a></td><td><a href="/entries/PHUB001617">Delphinidin 3-O-arabinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001617">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1618"><td></td><td><a href="/entries/PHUB001618">Delphinidin 3-O-feruloyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001618</td><td>1618</td><td>641.150096654</td><td>C<sub>31</sub>H<sub>29</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001618/image.svg" src="" /></td><td>RHRFAOKZIDUVQO-VEZAKBLNSA-O</td><td></td><td>5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>641.557</td><td>7.89e-02 g/l</td><td>2.70</td><td>-3.93</td><td>InChI=1S/C31H28O15/c1-42-22-6-13(2-4-17(22)33)3-5-25(37)43-12-24-27(39)28(40)29(41)31(46-24)45-23-11-16-18(34)9-15(32)10-21(16)44-30(23)14-7-19(35)26(38)20(36)8-14/h2-11,24,27-29,31,39-41H,12H2,1H3,(H5-,32,33,34,35,36,37,38)/p+1/t24-,27-,28+,29-,31-/m1/s1</td><td>[H][C@]1(COC(=O)\C=C\C2=CC(OC)=C(O)C=C2)O[C@@]([H])(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-3.6789696957946796</td><td>6.366472914432297</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001618">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1619"><td></td><td><a href="/entries/PHUB001619">Delphinidin 3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001619</td><td>1619</td><td>465.102752536</td><td>C<sub>21</sub>H<sub>21</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Delphinidin 3-galactoside</td><td class="structure"><img data-src="/structures/PHUB001619/image.svg" src="" /></td><td>XENHPQQLDPAYIJ-UHFFFAOYSA-O</td><td>68852-84-6</td><td>5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>465.386</td><td>8.54e-01 g/l</td><td>0.93</td><td>-2.77</td><td>InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1</td><td>OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O</td><td>-3.648395411034516</td><td>6.366609768744095</td><td><a href="/food_sources/165">Blueberry</a></td><td><a href="/entries/PHUB001619">Delphinidin 3-O-galactoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001619">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1620"><td></td><td><a href="/entries/PHUB001620">Delphinidin 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001620</td><td>1620</td><td>465.102752536</td><td>C<sub>21</sub>H<sub>21</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl β-D-glucopyranoside; Delphinidin 3-glucoside; Delphinidin 3-glycosides; 3-O-β-D-Glucopyranoside; delphinidin 3-O-β-D-glucoside; Myrtillin</td><td class="structure"><img data-src="/structures/PHUB001620/image.svg" src="" /></td><td>XENHPQQLDPAYIJ-PEVLUNPASA-O</td><td>50986-17-9</td><td>5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>465.386</td><td>8.54e-01 g/l</td><td>0.93</td><td>-2.77</td><td>InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.648395411034516</td><td>6.366609768744095</td><td><a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/347">Pomegranate juice</a></td><td><a href="/entries/PHUB001620">Delphinidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001620">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1621"><td></td><td><a href="/entries/PHUB001621">Delphinidin 3-O-glucosyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001621</td><td>1621</td><td>627.155575958</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001621/image.svg" src="" /></td><td>WIIMVXRNTVGXEQ-LCENJUANSA-O</td><td></td><td>5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>627.527</td><td>1.76e+00 g/l</td><td>0.05</td><td>-2.58</td><td>InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1</td><td>OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6789575975639743</td><td>6.366609429996295</td><td><a href="/food_sources/70">Onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001621">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1622"><td></td><td><a href="/entries/PHUB001622">Delphinidin 3-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001622</td><td>1622</td><td>611.160661338</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Delphinidin 3-glycosides; 3-O-[α-L-Rhamnopyranosyl-(1â6)-β-D-glucopyranoside]; Tulipanin</td><td class="structure"><img data-src="/structures/PHUB001622/image.svg" src="" /></td><td>PLKUTZNSKRWCCA-LTSKFBHWSA-O</td><td>15674-58-5</td><td>5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>611.528</td><td>1.16e+00 g/l</td><td>0.66</td><td>-2.74</td><td>InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.678957597563915</td><td>6.366609430323523</td><td><a href="/food_sources/16">Blackcurrant</a> / <a href="/food_sources/61">Eggplant</a></td><td><a href="/entries/PHUB001622">Delphinidin 3-O-rutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001622">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1623"><td></td><td><a href="/entries/PHUB001623">Delphinidin 3-O-sambubioside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001623</td><td>1623</td><td>597.145011274</td><td>C<sub>26</sub>H<sub>29</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001623/image.svg" src="" /></td><td>TWYYVOVDSNRIJM-UHFFFAOYSA-O</td><td></td><td>3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>597.501</td><td>1.38e+00 g/l</td><td>0.08</td><td>-2.66</td><td>InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1</td><td>OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O</td><td>-3.672687980513539</td><td>6.366606855198211</td><td></td><td><a href="/entries/PHUB001623">Delphinidin 3-O-sambubioside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001623">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1624"><td></td><td><a href="/entries/PHUB001624">Delphinidin 3-O-xyloside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001624</td><td>1624</td><td>435.092187852</td><td>C<sub>20</sub>H<sub>19</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001624/image.svg" src="" /></td><td>WIEYMFHXYNRELM-DLVXIWMQSA-O</td><td></td><td>3-{[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>435.36</td><td>5.77e-01 g/l</td><td>0.81</td><td>-2.91</td><td>InChI=1S/C20H18O11/c21-6-15-17(27)18(28)20(31-15)30-14-5-9-10(23)3-8(22)4-13(9)29-19(14)7-1-11(24)16(26)12(25)2-7/h1-5,15,17-18,20-21,27-28H,6H2,(H4-,22,23,24,25,26)/p+1/t15-,17-,18-,20-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H]1O</td><td>-2.9811524252368704</td><td>6.36660985430888</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001624">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1625"><td></td><td><a href="/entries/PHUB001625">Malvin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001625</td><td>1625</td><td>655.186876087</td><td>C<sub>29</sub>H<sub>35</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Malvidine-3,5-diglucoside</td><td class="structure"><img data-src="/structures/PHUB001625/image.svg" src="" /></td><td>CILLXFBAACIQNS-NFDWDPSSSA-O</td><td></td><td>7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>655.581</td><td>9.20e-01 g/l</td><td>-0.01</td><td>-2.88</td><td>InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19+,21-,22+,23?,24-,25-,26+,28-,29+/m1/s1</td><td>[H]OC[C@H]1O[C@@H](OC2=CC(O[H])=CC3=[O+]C(=C(O[C@H]4O[C@@H](CO[H])[C@H](O[H])[C@@H](O[H])[C@@H]4O[H])C=C23)C2=CC(OC([H])([H])[H])=C(O[H])C(OC([H])([H])[H])=C2)[C@H](O[H]
8)C(O[H])[C@@H]1O[H]</td><td>-3.648395350416171</td><td>6.642099450990851</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001625">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1626"><td></td><td><a href="/entries/PHUB001626">Peonidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001626</td><td>1626</td><td>301.070664559</td><td>C<sub>16</sub>H<sub>13</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001626/image.svg" src="" /></td><td>XFDQJKDGGOEYPI-UHFFFAOYSA-O</td><td></td><td>3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1lambda4-chromen-1-ylium</td><td>301.273</td><td>2.38e-02 g/l</td><td>2.61</td><td>-4.15</td><td>InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1</td><td>COC1=CC(=CC=C1O)C1=[O+]C2=C(C=C1O)C(O)=CC(O)=C2</td><td>-4.90136353188422</td><td>6.0123365353908715</td><td></td><td><a href="/entries/PHUB001285">Peonidin glucuronide</a> / <a href="/entries/PHUB001626">Peonidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001626">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1627"><td></td><td><a href="/entries/PHUB001627">Malvidin 3-O-(6''-acetyl-galactoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001627</td><td>1627</td><td>535.14461735</td><td>C<sub>25</sub>H<sub>27</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001627/image.svg" src="" /></td><td>WGYWEDJQQFKGID-DEBZWXBRSA-O</td><td></td><td>3-{[(3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambda4-chromen-1-ylium</td><td>535.477</td><td>2.46e-01 g/l</td><td>1.18</td><td>-3.37</td><td>InChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1/t19-,21-,22+,23-,25?/m1/s1</td><td>COC1=CC(=CC(OC)=C1O)C1=C(OC2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1</td><td>-3.6491028802268493</td><td>6.382928000076883</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001627">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1628"><td></td><td><a href="/entries/PHUB001628">Malvidin 3-O-(6''-acetyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001628</td><td>1628</td><td>535.14461735</td><td>C<sub>25</sub>H<sub>27</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001628/image.svg" src="" /></td><td>WGYWEDJQQFKGID-UHFFFAOYSA-O</td><td></td><td>3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambda4-chromen-1-ylium</td><td>535.477</td><td>2.81e-01 g/l</td><td>2.01</td><td>-3.31</td><td>InChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1</td><td>COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(C)=O)C(O)C(O)C1O)C(O)=CC(O)=C2</td><td>-3.6491028802268493</td><td>6.382928000076883</td><td></td><td><a href="/entries/PHUB001628">Malvidin 3-O-(6''-acetyl-glucoside)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001628">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1629"><td></td><td><a href="/entries/PHUB001629">Malvidin 3-O-(6''-caffeoyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001629</td><td>1629</td><td>655.165746718</td><td>C<sub>32</sub>H<sub>31</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001629/image.svg" src="" /></td><td>LIEHUFTYLLDHTI-FCOFYTSKSA-O</td><td></td><td>3-{[(3R,4S,5R,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambda4-chromen-1-ylium</td><td>655.584</td><td>5.61e-02 g/l</td><td>3.31</td><td>-4.09</td><td>InChI=1S/C32H30O15/c1-42-22-8-15(9-23(43-2)27(22)38)31-24(12-17-19(35)10-16(33)11-21(17)45-31)46-32-30(41)29(40)28(39)25(47-32)13-44-26(37)6-4-14-3-5-18(34)20(36)7-14/h3-12,25,28-30,32,39-41H,13H2,1-2H3,(H4-,33,34,35,36,37,38)/p+1/t25-,28-,29+,30-,32?/m1/s1</td><td>[H][C@]1(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(OC)=C(O)C(OC)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-3.6491103548953903</td><td>6.382279734884168</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001629">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1630"><td></td><td><a href="/entries/PHUB001630">Malvidin 3-O-(6''-p-coumaroyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001630</td><td>1630</td><td>639.170832098</td><td>C<sub>32</sub>H<sub>31</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001630/image.svg" src="" /></td><td>HXQOVGDXCHFLOP-UHFFFAOYSA-O</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>639.585</td><td>3.04e-02 g/l</td><td>3.41</td><td>-4.35</td><td>InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1</td><td>COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(O)=CC(O)=C2</td><td>-3.6491103548953903</td><td>6.3825093427252355</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001630">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1631"><td></td><td><a href="/entries/PHUB001631">Malvidin 3-O-arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001631</td><td>1631</td><td>463.123487981</td><td>C<sub>22</sub>H<sub>23</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2S,3R,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-tri; 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-α-L-Arabinopyranoside; Malvidin 3-arabinoside</td><td class="structure"><img data-src="/structures/PHUB001631/image.svg" src="" /></td><td>ZWAAFZOEMBEAAF-YGUHJOONSA-O</td><td>785047-89-4, 28500-04-1</td><td>5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>463.414</td><td>2.63e-01 g/l</td><td>1.61</td><td>-3.28</td><td>InChI=1S/C22H22O11/c1-29-15-3-9(4-16(30-2)19(15)27)21-17(33-22-20(28)18(2
86)13(25)8-31-22)7-11-12(24)5-10(23)6-14(11)32-21/h3-7,13,18,20,22,25-26,28H,8H2,1-2H3,(H2-,23,24,27)/p+1/t13-,18-,20+,22+/m0/s1</td><td>COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O</td><td>-3.5265985690834403</td><td>6.382931287057645</td><td><a href="/food_sources/165">Blueberry</a></td><td><a href="/entries/PHUB001631">Malvidin 3-O-arabinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001631">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1632"><td></td><td><a href="/entries/PHUB001632">Malvidin 3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001632</td><td>1632</td><td>493.134052665</td><td>C<sub>23</sub>H<sub>25</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxym; 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-β-D-Galactopyranoside; Malvidin 3-galactoside; Primulin; Uliginosin</td><td class="structure"><img data-src="/structures/PHUB001632/image.svg" src="" /></td><td>PXUQTDZNOHRWLI-XSEKTIEYSA-O</td><td>30113-37-2</td><td>5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>493.44</td><td>3.70e-01 g/l</td><td>1.30</td><td>-3.16</td><td>InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19+,20+,21-,23-/m1/s1</td><td>COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O</td><td>-2.9810923799280262</td><td>6.3829279988198975</td><td><a href="/food_sources/165">Blueberry</a></td><td><a href="/entries/PHUB001632">Malvidin 3-O-galactoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001632">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1633"><td></td><td><a href="/entries/PHUB001633">Malvidin 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001633</td><td>1633</td><td>493.134052665</td><td>C<sub>23</sub>H<sub>25</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001633/image.svg" src="" /></td><td>PXUQTDZNOHRWLI-OXUVVOBNSA-O</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>493.44</td><td>3.70e-01 g/l</td><td>1.30</td><td>-3.16</td><td>InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1</td><td>COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810923799280262</td><td>6.3829279988198975</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001633">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1634"><td></td><td><a href="/entries/PHUB001634">Pelargonin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001634</td><td>1634</td><td>595.165746718</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Pelargonidin 3,5-di-β-D-glucoside</td><td class="structure"><img data-src="/structures/PHUB001634/image.svg" src="" /></td><td>SLCKJKWFULXZBD-ZOTFFYTFSA-O</td><td></td><td>7-hydroxy-2-(4-hydroxyphenyl)-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1lambda4-chromen-1-ylium</td><td>595.529</td><td>1.20e+00 g/l</td><td>-0.03</td><td>-2.72</td><td>InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.648395350416171</td><td>6.660003787521519</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001634">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1635"><td></td><td><a href="/entries/PHUB001635">Pelargonidin 3-O-(6''-malonyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001635</td><td>1635</td><td>519.113317221</td><td>C<sub>24</sub>H<sub>23</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside; pelargonidin 3-O-(6-O-malonyl-β-D-glucoside)</td><td class="structure"><img data-src="/structures/PHUB001635/image.svg" src="" /></td><td>XLZUBCUKXQFBKB-JZWLZXDTSA-O</td><td>165070-68-8</td><td>3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>519.434</td><td>3.14e-01 g/l</td><td>1.90</td><td>-3.25</td><td>InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21+,22-,24-/m1/s1</td><td>O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@H]1O</td><td>-3.6491030907183704</td><td>3.2955237885215536</td><td><a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001635">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1636"><td></td><td><a href="/entries/PHUB001636">Pelargonidin 3-O-(6''-succinyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001636</td><td>1636</td><td>533.128967285</td><td>C<sub>25</sub>H<sub>25</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001636/image.svg" src="" /></td><td>UBUSYXLSGMWUJJ-WVXUANQFSA-O</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>533.461</td><td>2.49e-01 g/l</td><td>1.72</td><td>-3.36</td><td>
8InChI=1S/C25H24O13/c26-12-3-1-11(2-4-12)24-17(9-14-15(28)7-13(27)8-16(14)36-24)37-25-23(34)22(33)21(32)18(38-25)10-35-20(31)6-5-19(29)30/h1-4,7-9,18,21-23,25,32-34H,5-6,10H2,(H3-,26,27,28,29,30)/p+1/t18-,21-,22+,23-,25-/m1/s1</td><td>[H][C@]1(COC(=O)CCC(O)=O)O[C@@]([H])(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-3.6491029757081344</td><td>3.661678289536958</td><td><a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001636">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1637"><td></td><td><a href="/entries/PHUB001637">Pelargonidin 3-O-arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001637</td><td>1637</td><td>403.102358612</td><td>C<sub>20</sub>H<sub>19</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001637/image.svg" src="" /></td><td>BGOQMKHOLJPANL-LXZJYRNTSA-O</td><td></td><td>3-{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>403.362</td><td>2.78e-01 g/l</td><td>1.62</td><td>-3.20</td><td>InChI=1S/C20H18O9/c21-8-16-17(25)18(26)20(29-16)28-15-7-12-13(24)5-11(23)6-14(12)27-19(15)9-1-3-10(22)4-2-9/h1-7,16-18,20-21,25-26H,8H2,(H2-,22,23,24)/p+1/t16-,17+,18+,20+/m1/s1</td><td>OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@@H](O)[C@H]1O</td><td>-2.9811524252368704</td><td>6.396818473386776</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001637">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1638"><td></td><td><a href="/entries/PHUB001638">Pelargonidin 3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001638</td><td>1638</td><td>433.112923296</td><td>C<sub>21</sub>H<sub>21</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001638/image.svg" src="" /></td><td>
8ABVCUBUIXWJYSE-CWVBCOCOSA-O</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>433.388</td><td>4.61e-01 g/l</td><td>1.13</td><td>-3.01</td><td>InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17+,18+,19-,21+/m1/s1</td><td>OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O</td><td>-2.9810923799280262</td><td>6.396818378835825</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001638">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1639"><td></td><td><a href="/entries/PHUB001639">Pelargonidin 3-O-glucosyl-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001639</td><td>1639</td><td>741.22365552</td><td>C<sub>33</sub>H<sub>41</sub>O<sub>19</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001639/image.svg" src="" /></td><td>YGSWCXGIDLPEGH-CUYVBVLOSA-O</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-{[(2S,3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>741.671</td><td>3.62e+00 g/l</td><td>-0.08</td><td>-2.33</td><td>InChI=1S/C33H40O19/c1-11-21(38)24(41)27(44)31(47-11)46-10-20-23(40)26(43)30(52-32-28(45)25(42)22(39)19(9-34)50-32)33(51-20)49-18-8-15-16(37)6-14(36)7-17(15)48-29(18)12-2-4-13(35)5-3-12/h2-8,11,19-28,30-34,38-45H,9-10H2,1H3,(H2-,35,36,37)/p+1/t11-,19?,20+,21+,22+,23-,24+,25-,26-,27+,28-,30+,31+,32-,33+/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C=C3)[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O</td><td>-3.676496932449043</td><td>6.3968149460864385</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001639">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1640"><td></td><td><a href="/entries/PHUB001640">Pelargonidin 3-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001640</td><td>1640</td><td>579.170832098</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001640/image.svg" src="" /></td><td>IFYOHQQBIKDHFT-ASZXTAQUSA-O</td><td></td><td>5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>579.53</td><td>8.66e-01 g/l</td><td>0.73</td><td>-2.85</td><td>InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1</td><td>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6486860595724386</td><td>6.396817813952819</td><td><a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/147">Sweet cherry</a></td><td><a href="/entries/PHUB001640">Pelargonidin 3-O-rutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001640">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1641"><td></td><td><a href="/entries/PHUB001641">Pelargonidin 3-O-sambubioside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001641</td><td>1641</td><td>565.155182034</td><td>C<sub>26</sub>H<sub>29</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001641/image.svg" src="" /></td><td>NKUOSFBSKVBOJC-DYZYZCFYSA-O</td><td></td><td>3-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>565.503</td><td>9.32e-01 g/l</td><td>0.39</td><td>-2.81</td><td>InChI=1S/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18-,19+,20-,21-,22-,24-,25+,26+/m1/s1</td><td>[H][C@]1(O)[C@H](O)CO[C@@H](O[C@H]2[C@@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H]1O</td><td>-3.5265806826262494</td><td>6.396815373654077</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001641">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1642"><td></td><td><a href="/entries/PHUB001642">Pelargonidin 3-O-sophoroside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001642</td><td>1642</td><td>595.165746718</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001642/image.svg" src="" /></td><td>HASVPNDDKSXPGU-WGNLCONDSA-O</td><td></td><td>3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>595.529</td><td>1.63e+00 g/l</td><td>0.10</td><td>-2.59</td><td>InChI=1S/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-29,33-37H,8-9H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1</td><td>OC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.6483775957631734</td><td>6.396815323828055</td><td></td><td><a href="/entries/PHUB001642">Pelargonidin 3-O-sophoroside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001642">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1643"><td></td><td><a href="/entries/PHUB001643">Peonidin 3-O-(6''-acetyl-galactoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001643</td><td>1643</td><td>505.134052665</td><td>C<sub>24</sub>H<sub>25</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001643/image.svg" src="" /></td><td>
8MBSKDCPWFSMEFD-NDUFDKTRSA-O</td><td></td><td>3-{[(3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1lambda4-chromen-1-ylium</td><td>505.451</td><td>2.65e-01 g/l</td><td>1.20</td><td>-3.31</td><td>InChI=1S/C24H24O12/c1-10(25)33-9-19-20(29)21(30)22(31)24(36-19)35-18-8-13-15(28)6-12(26)7-16(13)34-23(18)11-3-4-14(27)17(5-11)32-2/h3-8,19-22,24,29-31H,9H2,1-2H3,(H2-,26,27,28)/p+1/t19-,20-,21+,22-,24?/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=C(OC2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1</td><td>-3.6491028802268493</td><td>6.395525210601677</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001643">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1644"><td></td><td><a href="/entries/PHUB001644">Melatonin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001644</td><td>1644</td><td>232.121177763</td><td>C<sub>13</sub>H<sub>16</sub>N<sub>2</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-acetyl-5-methoxy tryptamine</td><td class="structure"><img data-src="/structures/PHUB001644/image.svg" src="" /></td><td>DRLFMBDRBRZALE-UHFFFAOYSA-N</td><td>73-31-4</td><td>N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide</td><td>232.283</td><td>1.43e-01 g/l</td><td>1.42</td><td>-3.21</td><td>InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)</td><td>COC1=CC2=C(NC=C2CCNC(C)=O)C=C1</td><td>-1.5686177648392254</td><td>15.795496949109145</td><td><a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/39">Coffee</a> / <a href="/food_sources/50">Common walnut</a> / <a href="/food_sources/53">Corn</a> / <a href="/food_sources/75">Grape</a> / <a href="/food_sources/97">Mustard</a> / <a href="/food_sources/120">Pistachio</a> / <a href="/food_sources/293">Red wine</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/267">Tart cherry</a> / <a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB001884">6-Sulfatoxymelatonin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001644">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1645"><td></td><td><a href="/entries/PHUB001645">Peonidin 3-O-(6''-acetyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001645</td><td>1645</td><td>505.134052665</td><td>C<sub>24</sub>H<sub>25</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001645/image.svg" src="" /></td><td>MBSKDCPWFSMEFD-KQWJERSKSA-O</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1lambda4-chromen-1-ylium</td><td>505.451</td><td>2.75e-01 g/l</td><td>1.93</td><td>-3.29</td><td>InChI=1S/C24H24O12/c1-10(25)33-9-19-20(29)21(30)22(31)24(36-19)35-18-8-13-15(28)6-12(26)7-16(13)34-23(18)11-3-4-14(27)17(5-11)32-2/h3-8,19-22,24,29-31H,9H2,1-2H3,(H2-,26,27,28)/p+1/t19-,20+,21+,22-,24-/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2</td><td>-3.6491028802268493</td><td>6.395525210601677</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001645">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1646"><td></td><td><a href="/entries/PHUB001646">Peonidin 3-O-(6''-malonyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001646</td><td>1646</td><td>549.123881905</td><td>C<sub>25</sub>H<sub>25</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001646/image.svg" src="" /></td><td>CKJPGRXYFVEMFF-WXOQYFMXSA-O</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1lambda4-chromen-1-ylium</td><td>549.46</td><td>3.58e-01 g/l</td><td>1.97</td><td>-3.21</td><td>InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)/p+1/t18-,21+,22+,23-,25-/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2</td><td>-3.6491030907183712</td><td>3.2947376378224624</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001646">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1647"><td></td><td><a href="/entries/PHUB001647">Isourolithin A</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,9-dihydroxy-urolithin</td><td>PHUB001647</td><td>1647</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,9-dihydroxy-6H-benzo[c]chromen-6-one; 3,9-dihydroxy-urolithin</td><td class="structure"><img data-src="/structures/PHUB001647/image.svg" src="" /></td><td>WDGSXHQNUPZEHA-UHFFFAOYSA-N</td><td>174023-48-4</td><td>3,9-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>2.67e-01 g/l</td><td>2.21</td><td>-2.93</td><td>InChI=1S/C13H8O4/c14-7-2-4-10-11(5-7)9-3-1-8(15)6-12(9)17-13(10)16/h1-6,14-15H</td><td>OC1=CC2=C(C=C1)C1=C(C=CC(O)=C1)C(=O)O2</td><td>-6.085422647906853</td><td>7.544547827031298</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001647">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1648"><td></td><td><a href="/entries/PHUB001648">Isourolithin A-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>9-hydroxy-urolithin-3-glucuronide</td><td>PHUB001648</td><td>1648</td><td>404.074346715</td><td>C<sub>19</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,9-dihydroxy-urolithin-3-glucuronide; Isourolithin A-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001648/image.svg" src="" /></td><td>AAJFARBDABAXSP-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-({9-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid</td><td>404.327</td><td>1.93e+00 g/l</td><td>0.54</td><td>-2.32</td><td>InChI=1S/C19H16O10/c20-7-1-3-10-11(5-7)9-4-2-8(6-12(9)28-18(10)26)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)</td><td>OC1C(O)C(OC2=CC3=C(C=C2)C2=C(C=CC(O)=C2)C(=O)O3)OC(C1O)C(O)=O</td><td>-3.6868267697279618</td><td>3.1837155867362994</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001648">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1649"><td></td><td><a href="/entries/PHUB001649">Isourolithin B</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001649</td><td>1649</td><td>212.047344118</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001649/image.svg" src="" /></td><td>PQRKYQMDMPOUCW-UHFFFAOYSA-N</td><td></td><td>9-hydroxy-6H-benzo[c]chromen-6-one</td><td>212.204</td><td>1.52e-01 g/l</td><td>2.60</td><td>-3.14</td><td>InChI=1S/C13H8O3/c14-8-5-6-10-11(7-8)9-3-1-2-4-12(9)16-13(10)15/h1-7,14H</td><td>OC1=CC2=C(C=C1)C(=O)OC1=C2C=CC=C1</td><td>-6.08552240330631</td><td>8.277578576080305</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001649">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1650"><td></td><td><a href="/entries/PHUB001650">Peonidin 3-O-(6''-p-coumaroyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001650</td><td>1650</td><td>609.160267414</td><td>C<sub>31</sub>H<sub>29</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001650/image.svg" src="" /></td><td>MFHMTMFSFNMTFQ-WLBBWBLESA-O</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>609.559</td><td>2.88e-02 g/l</td><td>2.87</td><td>-4.35</td><td>InChI=1S/C31H28O13/c1-40-23-10-16(5-8-20(23)34)30-24(13-19-21(35)11-18(33)12-22(19)42-30)43-31-29(39)28(38)27(37)25(44-31)14-41-26(36)9-4-15-2-6-17(32)7-3-15/h2-13,25,27-29,31,37-39H,14H2,1H3,(H3-,32,33,34,35,36)/p+1/t25-,27+,28+,29-,31?/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=C(OC2O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1</td><td>-3.6491103548953903</td><td>6.395094237888899</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001650">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1651"><td></td><td><a href="/entries/PHUB001651">Peonidin 3-O-arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001651</td><td>1651</td><td>449.107837916</td><td>C<sub>21</sub>H<sub>21</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3-methoxyphenyl)chromen; 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-α-L-Arabinopyranoside; Peonidin 3-arabinoside</td><td class="structure"><img data-src="/structures/PHUB001651/image.svg" src="" /></td><td>XYWFSSFJPFAYCA-BSOUQAEPSA-O</td><td>27214-74-0</td><td>2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>449.387</td><td>3.38e-01 g/l</td><td>1.42</td><td>-3.16</td><td>InChI=1S/C21H20O11/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26)/p+1/t13-,18+,19-,21-/m1/s1</td><td>COC1=CC(=CC(O)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.5265985690834403</td><td>6.394362066685298</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/318">Cranberry</a> / <a href="/food_sources/319">Cranberry juice</a></td><td><a href="/entries/PHUB001651">Peonidin 3-O-arabinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001651">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1652"><td></td><td><a href="/entries/PHUB001652">Peonidin 3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001652</td><td>1652</td><td>463.123487981</td><td>C<sub>22</sub>H<sub>23</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethy; 3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-β-D-Galactopyranoside; Peonidin 3-galactoside</td><td class="structure"><img data-src="/structures/PHUB001652/image.svg" src="" /></td><td>ZZWPMFROUHHAKY-VRRLNDPFSA-O</td><td>28148-89-2</td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>463.414</td><td>4.18e-01 g/l</td><td>1.18</td><td>-3.08</td><td>InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18+,19+,20-,22-/m1/s1</td><td>[H][C@]1(CO)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(OC)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O</td><td>-2.9810923799280262</td><td>6.395525209261993</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/319">Cranberry juice</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB001652">Peonidin 3-O-galactoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001652">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1653"><td></td><td><a href="/entries/PHUB001653">Peonidin 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001653</td><td>1653</td><td>463.123487981</td><td>C<sub>22</sub>H<sub>23</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-β-D-Glucopyranoside; 3'-Methylcyanidin 3-glucoside; 3'-O-methylcyanidin 3-O-β-D-glucoside; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl β-D-glucopyranoside; Oxycoccicyanin; Peonidin 3-glucoside; peonidin 3-O-β-D-glucoside</td><td class="structure"><img data-src="/structures/PHUB001653/image.svg" src="" /></td><td>ZZWPMFROUHHAKY-OUUKCGNVSA-O</td><td>68795-37-9</td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>463.414</td><td>4.18e-01 g/l</td><td>1.18</td><td>-3.08</td><td>InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1</td><td>COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810923799280262</td><td>6.395525209261993</td><td><a href="/food_sources/5">American cranberry</a> / <a href="/food_sources/318">Cranberry</a> / <a href="/food_sources/147">Sweet cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001653">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1654"><td></td><td><a href="/entries/PHUB001654">Peonidin 3-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001654</td><td>1654</td><td>609.181396783</td><td>C<sub>28</sub>H<sub>33</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001654/image.svg" src="" /></td><td>ONQVTPMFYSRRLL-DEVSUUPNSA-O</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>609.556</td><td>7.21e-01 g/l</td><td>0.77</td><td>-2.95</td><td>InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-15(31)6-12(29)7-16(13)41-26(18)11-3-4-14(30)17(5-11)38-2/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19+,20+,21-,22+,23-,24+,25+,27+,28+/m0/s1</td><td>COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2</td><td>-3.6486860595724386</td><td>6.39552464605778</td><td><a href="/food_sources/147">Sweet cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001654">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1655"><td></td><td><a href="/entries/PHUB001655">Petunidin 3,5-O-diglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001655</td><td>1655</td><td>641.171226023</td><td>C<sub>28</sub>H<sub>33</sub>O<sub>17</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001655/image.svg" src="" /></td><td>KLRABYJGMPNMSA-UHFFFAOYSA-O</td><td></td><td>2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1lambda4-chromen-1-ylium</td><td>641.554</td><td>1.30e+00 g/l</td><td>-0.12</td><td>-2.72</td><td>InChI=1S/C28H32O17/c1-40-15-3-9(2-12(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-13(41-26)4-10(31)5-14(11)42-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33)/p+1</td><td>COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2</td><td>-3.648395411034516</td><td>6.66322482644105</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001655">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1656"><td></td><td><a href="/entries/PHUB001656">Petunidin 3-O-(6''-acetyl-galactoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001656</td><td>1656</td><td>521.128967285</td><td>C<sub>24</sub>H<sub>25</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001656/image.svg" src="" /></td><td>GPUBWXUQPURXOQ-SKKXNPCDSA-O</td><td></td><td>3-{[(3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>521.45</td><td>4.00e-01 g/l</td><td>1.22</td><td>-3.14</td><td>InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1/t18-,20+,21+,22-,24?/m1/s1</td><td>[H][C@]1(COC(C)=O)OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(OC)=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O</td><td>-3.6491028802268493</td><td>6.394358832746607</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001656">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1657"><td></td><td><a href="/entries/PHUB001657">Petunidin 3-O-(6''-acetyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001657</td><td>1657</td><td>521.128967285</td><td>C<sub>24</sub>H<sub>25</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001657/image.svg" src="" /></td><td>GPUBWXUQPURXOQ-BKSKZGTRSA-O</td><td></td><td>3-{[(2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium</td><td>521.45</td><td>3.80e-01 g/l</td><td>1.85</td><td>-3.17</td><td>InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1/t18-,20-,21+,22-,24-/m1/s1</td><td>[H][C@]1(COC(C)=O)O[C@@]([H])(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(OC)=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-3.6491028802268493</td><td>6.394358832746607</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001657">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1658"><td></td><td><a href="/entries/PHUB001658">Petunidin 3-O-(6''-p-coumaroyl-glucoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001658</td><td>1658</td><td>625.155182034</td><td>C<sub>31</sub>H<sub>29</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001658/image.svg" src="" /></td><td>KTFQEFWNLAUGAX-QINHOXNVSA-O</td><td></td><td>2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>625.558</td><td>4.25e-02 g/l</td><td>2.75</td><td>-4.19</td><td>InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31,38-40H,13H2,1H3,(H4-,32,33,34,35,36,37)/p+1/t24-,27+,28+,29-,31?/m1/s1</td><td>COC1=CC(=CC(O)=C1O)C1=C(OC2O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1</td><td>-3.6491103548953903</td><td>6.393929015361109</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001658">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1659"><td></td><td><a href="/entries/PHUB001659">Petunidin 3-O-arabinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001659</td><td>1659</td><td>449.107837916</td><td>C<sub>21</sub>H<sub>21</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2S,3R,4S,5S)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-tri; Petunidin 3-arabinoside</td><td class="structure"><img data-src="/structures/PHUB001659/image.svg" src="" /></td><td>XYWFSSFJPFAYCA-JRJNMRRASA-O</td><td>679429-94-8</td><td>2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>449.387</td><td>3.38e-01 g/l</td><td>1.42</td><td>-3.16</td><td>InChI=1S/C21H20O11/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26)/p+1/t13-,18-,19-,21-/m1/s1</td><td>[H][C@@]1(O)CO[C@]([H])(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(OC)=C2)[C@]([H])(O)[C@]1([H])O</td><td>-3.5265985690834403</td><td>6.394362066685298</td><td><a href="/food_sources/165">Blueberry</a></td><td><a href="/entries/PHUB001659">Petunidin 3-O-arabinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001659">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1660"><td></td><td><a href="/entries/PHUB001660">Petunidin 3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001660</td><td>1660</td><td>479.118402601</td><td>C<sub>22</sub>H<sub>23</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5; 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-β-D-Galactopyranoside; Petunidin 3-galactoside</td><td class="structure"><img data-src="/structures/PHUB001660/image.svg" src="" /></td><td>CCQDWIRWKWIUKK-UHFFFAOYSA-O</td><td>28500-02-9</td><td>2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>479.413</td><td>5.57e-01 g/l</td><td>
81.04</td><td>-2.97</td><td>InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1</td><td>COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1O)C(O)=CC(O)=C2</td><td>-2.9810923799280262</td><td>6.394358831401566</td><td><a href="/food_sources/165">Blueberry</a></td><td><a href="/entries/PHUB001660">Petunidin 3-O-galactoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001660">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1661"><td></td><td><a href="/entries/PHUB001661">Petunidin 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001661</td><td>1661</td><td>479.118402601</td><td>C<sub>22</sub>H<sub>23</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001661/image.svg" src="" /></td><td>CCQDWIRWKWIUKK-QKYBYQKWSA-O</td><td></td><td>2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>479.413</td><td>5.57e-01 g/l</td><td>1.04</td><td>-2.97</td><td>InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1</td><td>COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2</td><td>-2.9810923799280262</td><td>6.394358831401566</td><td></td><td><a href="/entries/PHUB001661">Petunidin 3-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001661">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1662"><td></td><td><a href="/entries/PHUB001662">Petunidin 3-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001662</td><td>1662</td><td>447.128573361</td><td>C<sub>22</sub>H<sub>23</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001662/image.svg" src="" /></td><td>RDVXMVSDKLUVEL-UHFFFAOYSA-O</td><td></td><td>2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1lambda4-chromen-1-ylium</td><td>447.415</td><td>2.86e-01 g/l</td><td>1.99</td><td>-3.23</td><td>InChI=1S/C22H22O10/c1-9-17(25)19(27)20(28)22(30-9)32-16-6-10-3-4-12(23)8-14(10)31-21(16)11-5-13(24)18(26)15(7-11)29-2/h3-9,17,19-20,22,25,27-28H,1-2H3,(H2-,23,24,26)/p+1</td><td>COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=CC(O)=C2)C=C1OC1OC(C)C(O)C(O)C1O</td><td>-3.612200423945916</td><td>7.348940190752945</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001662">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1663"><td></td><td><a href="/entries/PHUB001663">Petunidin 3-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001663</td><td>1663</td><td>595.165746718</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001663/image.svg" src="" /></td><td>USNPULRDBDVJAO-FXCAAIILSA-O</td><td></td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>595.529</td><td>8.95e-01 g/l</td><td>0.66</td><td>-2.85</td><td>InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1</td><td>[H][C@@]1(C)O[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC(O)=C(O)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.676496932449043</td><td>6.3883291566430795</td><td><a href="/food_sources/147">Sweet cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001663">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1664"><td></td><td><a href="/entries/PHUB001664">Pigment A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001664</td><td>1664</td><td>609.160267414</td><td>C<sub>31</sub>H<sub>29</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001664/image.svg" src="" /></td><td>QVDUZUIZMDYJSK-BGXVWEPQSA-O</td><td></td><td>11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxyphenyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2lambda4,8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(13),2,4,6,9,11-hexaen-2-ylium</td><td>609.559</td><td>7.81e-02 g/l</td><td>2.93</td><td>-3.92</td><td>InChI=1S/C31H28O13/c1-39-21-7-14(8-22(40-2)25(21)35)29-30(44-31-28(38)27(37)26(36)23(12-32)43-31)17-11-18(13-3-5-15(33)6-4-13)41-19-9-16(34)10-20(42-29)24(17)19/h3-11,23,26-28,31-32,36-38H,12H2,1-2H3,(H2-,33,34,35)/p+1/t23-,26-,27+,28-,31+/m1/s1</td><td>COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(O)C=C1)=CC(O)=C2</td><td>-2.981092382294645</td><td>4.721608543529207</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001664">Show Entry</a></td></tr>
8<tr data-biomarker="none" data-kind="precursor" id="1665"><td></td><td><a href="/entries/PHUB001665">Pinotin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001665</td><td>1665</td><td>625.155182034</td><td>C<sub>31</sub>H<sub>29</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001665/image.svg" src="" /></td><td>RFTHDRVOYDHSOC-BGXVWEPQSA-O</td><td></td><td>7-(3,4-dihydroxyphenyl)-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2lambda4,8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(13),2,4,6,9,11-hexaen-2-ylium</td><td>625.558</td><td>1.04e-01 g/l</td><td>2.63</td><td>-3.80</td><td>InChI=1S/C31H28O14/c1-40-21-6-13(7-22(41-2)25(21)36)29-30(45-31-28(39)27(38)26(37)23(11-32)44-31)15-10-18(12-3-4-16(34)17(35)5-12)42-19-8-14(33)9-20(43-29)24(15)19/h3-10,23,26-28,31-32,37-39H,11H2,1-2H3,(H3-,33,34,35,36)/p+1/t23-,26-,27+,28-,31+/m1/s1</td><td>[H][C@]1(CO)O[C@@]([H])(OC2=C3C=C(OC4=CC(O)=CC([O+]=C2C2=CC(OC)=C(O)C(OC)=C2)=C34)C2=CC=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-2.981092382294645</td><td>4.721574416316801</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001665">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1666"><td></td><td><a href="/entries/PHUB001666">Vitisin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001666</td><td>1666</td><td>561.123881905</td><td>C<sub>26</sub>H<sub>25</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001666/image.svg" src="" /></td><td>QVULQDHVHOUFCX-AQFMKAHKSA-O</td><td></td><td>7-carboxy-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2lambda4,8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(13),2,4,6,9,11-hexaen-2-ylium</td><td>561.471</td><td>3.50e-01 g/l</td><td>2.05</td><td>-3.23</td><td>InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)29)23-24(40-26-22(32)21(31)20(30)17(8-27)39-26)11-7-16(25(33)34)37-12-5-10(28)6-13(38-23)18(11)12/h3-7,17,20-22,26-27,30-32H,8H2,1-2H3,(H2-,28,29,33,34)/p+1/t17-,20-,21+,22-,26+/m1/s1</td><td>COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC(O)=C2</td><td>-2.981092382294645</td><td>2.0415718054260474</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001666">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1667"><td></td><td><a href="/entries/PHUB001667">1,4-Naphtoquinone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001667</td><td>1667</td><td>158.036779433</td><td>C<sub>10</sub>H<sub>6</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001667/image.svg" src="" /></td><td>FRASJONUBLZVQX-UHFFFAOYSA-N</td><td></td><td>1,4-dihydronaphthalene-1,4-dione</td><td>158.156</td><td>8.31e-01 g/l</td><td>1.61</td><td>-2.28</td><td>InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H</td><td>O=C1C=CC(=O)C2=CC=CC=C12</td><td>-7.110814647299563</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001667">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1668"><td></td><td><a href="/entries/PHUB001668">2,6-Dimethoxybenzoquinone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001668</td><td>1668</td><td>168.042258738</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001668/image.svg" src="" /></td><td>OLBNOBQOQZRLMP-UHFFFAOYSA-N</td><td></td><td>2,6-dimethoxycyclohexa-2,5-diene-1,4-dione</td><td>168.148</td><td>7.05e+00 g/l</td><td>0.36</td><td>-1.38</td><td>InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3</td><td>COC1=CC(=O)C=C(OC)C1=O</td><td>-4.6529514732610515</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001668">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1669"><td></td><td><a href="/entries/PHUB001669">3,4-Dihydroxyphenylglycol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001669</td><td>1669</td><td>170.057908802</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001669/image.svg" src="" /></td><td>MTVWFVDWRVYDOR-UHFFFAOYSA-N</td><td></td><td>4-(1,2-dihydroxyethyl)benzene-1,2-diol</td><td>170.164</td><td>1.67e+01 g/l</td><td>-0.72</td><td>-1.01</td><td>InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2</td><td>OCC(O)C1=CC(O)=C(O)C=C1</td><td>-2.9774649407240963</td><td>9.20999409215474</td><td><a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001669">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1670"><td></td><td><a href="/entries/PHUB001670">Aurasperone D</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001670</td><td>1670</td><td>556.136946973</td><td>C<sub>31</sub>H<sub>24</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001670/image.svg" src="" /></td><td>DVSATZLPJVYIRI-UHFFFAOYSA-N</td><td></td><td>5,6-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-8-methoxy-2-methyl-4H-benzo[g]chromen-4-one</td><td>556.523</td><td>4.54e-03 g/l</td><td>4.28</td><td>-5.09</td><td>InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3</td><td>COC1=CC2=C(C3=C(C(=O)C=C(C)O3)C(O)=C2C(O)=C1)C1=C(OC)C2=C(O)C3=C(OC(C)=CC3=O)C=C2C=C1OC</td><td>-4.303291476365138</td><td>6.418039850344955</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001670">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1671"><td></td><td><a href="/entries/PHUB001671">Bisdemethoxycurcumin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Bisdemethoxycurcumin</td><td>PHUB001671</td><td>1671</td><td>308.104858995</td><td>C<sub>19</sub>H<sub>16</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001671/image.svg" src="" /></td><td>PREBVFJICNPEKM-YDWXAUTNSA-N</td><td></td><td>(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione</td><td>308.333</td><td>1.06e-02 g/l</td><td>3.46</td><td>-4.46</td><td>InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+</td><td>OC1=CC=C(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C=C2)C=C1</td><td>-4.648276198411537</td><td>8.698222489849178</td><td></td><td><a href="/entries/PHUB001671">Bisdemethoxycurcumin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001671">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1672"><td></td><td><a href="/entries/PHUB001672">Chebulinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001672</td><td>1672</td><td>956.11309577</td><td>C<sub>41</sub>H<sub>32</sub>O<sub>27</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001672/image.svg" src="" /></td><td>YGVHOSGNOYKRIH-FJPMMHPYSA-N</td><td></td><td>2-[(4R,5S,7R,8R,11S,12S,13S,21S)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis(3,4,5-trihydroxybenzoyloxy)-7-[(3,4,5-trihydroxybenzoyloxy)methyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.1^{4,8}.0^{16,20}]henicosa-1(19),16(20),17-trien-11-yl]acetic acid</td><td>956.68</td><td>2.36e+00 g/l</td><td>2.92</td><td>-2.61</td><td>InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1</td><td>[H][C@@]12[C@H](O)C(=O)OC3=C1C(=CC(O)=C3O)C(=O)O[C@H]1[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)O[C@H](COC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC(=O)[C@H]2CC(O)=O)[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1</td><td>-4.781475397283797</td><td>3.158926682111319</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001672">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1673"><td></td><td><a href="/entries/PHUB001673">Cinnamaldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001673</td><td>1673</td><td>132.057514878</td><td>C<sub>9</sub>H<sub>8</sub>O</td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001673/image.svg" src="" /></td><td>KJPRLNWUNMBNBZ-QPJJXVBHSA-N</td><td></td><td>(2E)-3-phenylprop-2-enal</td><td>132.162</td><td>4.09e-01 g/l</td><td>2.00</td><td>-2.51</td><td>InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+</td><td>O=C\C=C\C1=CC=CC=C1</td><td>-4.439447314621728</td><td></td><td><a href="/food_sources/36">Cinnamon</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001673">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1674"><td></td><td><a href="/entries/PHUB001674">Demethoxycurcumin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Demethoxycurcumin</td><td>PHUB001674</td><td>1674</td><td>338.11542368</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Desmethoxycurcumin</td><td class="structure"><img data-src="/structures/PHUB001674/image.svg" src="" /></td><td>HJTVQHVGMGKONQ-LUZURFALSA-N</td><td></td><td>(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione</td><td>338.359</td><td>6.73e-03 g/l</td><td>3.54</td><td>-4.70</td><td>InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+</td><td>COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C=C2)=CC=C1O</td><td>-4.477476498942375</td><td>8.849461623816573</td><td></td><td><a href="/entries/PHUB001674">Demethoxycurcumin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001674">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1675"><td></td><td><a href="/entries/PHUB001675">Demethyloleuropein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001675</td><td>1675</td><td>526.168641026</td><td>C<sub>24</sub>H<sub>30</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001675/image.svg" src="" /></td><td>HKVGJQVJNQRJPO-OIXVIMQBSA-N</td><td></td><td>(3Z)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid</td><td>526.491</td><td>
81.06e+00 g/l</td><td>0.53</td><td>-2.70</td><td>InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2-</td><td>C\C=C1/C(OC2OC(CO)C(O)C(O)C2O)OC=C(C1CC(=O)OCCC1=CC(O)=C(O)C=C1)C(O)=O</td><td>-2.9810849052288235</td><td>3.985780111005773</td><td><a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001675">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1676"><td></td><td><a href="/entries/PHUB001676">Dillapiole</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001676</td><td>1676</td><td>222.089208931</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001676/image.svg" src="" /></td><td>LIKYNOPXHGPMIH-UHFFFAOYSA-N</td><td></td><td>4,5-dimethoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole</td><td>222.24</td><td>6.46e-01 g/l</td><td>2.33</td><td>-2.54</td><td>InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3</td><td>COC1=C(OC)C(CC=C)=CC2=C1OCO2</td><td>-4.401145947371453</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001676">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1677"><td></td><td><a href="/entries/PHUB001677">Fucofuroeckol B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001677</td><td>1677</td><td>478.053611271</td><td>C<sub>24</sub>H<sub>14</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001677/image.svg" src="" /></td><td>RGNBIKVVGUORSW-UHFFFAOYSA-N</td><td></td><td>19-(3,5-dihydroxyphenoxy)-10,14,21-trioxapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{15,20}]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-2,5,7,16,18-pentol</td><td>478.365</td><td>6.05e-01 g/l</td><td>3.56</td><td>-2.90</td><td>InChI=1S/C24H14O11/c25-8-1-9(26)3-11(2-8)32-21-13(29)6-14(30)22-24(21)35-23-17(34-22)7-16-19(20(23)31)18-12(28)4-10(27)5-15(18)33-16/h1-7,25-31H</td><td>OC1=CC(O)=C2C(OC3=CC4=C(OC5=C(O4)C(O)=CC(O)=C5OC4=CC(O)=CC(O)=C4)C(O)=C23)=C1</td><td>-2.8269362708293007</td><td>6.8545097742129455</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001677">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1678"><td></td><td><a href="/entries/PHUB001678">Gentisin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001678</td><td>1678</td><td>258.052823422</td><td>C<sub>14</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001678/image.svg" src="" /></td><td>XOXYHGOIRWABTC-UHFFFAOYSA-N</td><td></td><td>1,7-dihydroxy-3-methoxy-9H-xanthen-9-one</td><td>258.229</td><td>2.29e-01 g/l</td><td>2.80</td><td>-3.05</td><td>InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3</td><td>COC1=CC(O)=C2C(=O)C3=CC(O)=CC=C3OC2=C1</td><td>-3.726859351280583</td><td>8.263553267404538</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001678">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1679"><td></td><td><a href="/entries/PHUB001679">Isogentisin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001679</td><td>1679</td><td>258.052823422</td><td>C<sub>14</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001679/image.svg" src="" /></td><td>FVIYCYAHKMJVJK-UHFFFAOYSA-N</td><td></td><td>1,3-dihydroxy-7-methoxy-9H-xanthen-9-one</td><td>258.229</td><td>2.34e-01 g/l</td><td>2.84</td><td>-3.04</td><td>InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3</td><td>COC1=CC=C2OC3=CC(O)=CC(O)=C3C(=O)C2=C1</td><td>-3.724115845427445</td><td>7.547897263384937</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001679">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1680"><td></td><td><a href="/entries/PHUB001680">Juglone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001680</td><td>1680</td><td>174.031694053</td><td>C<sub>10</sub>H<sub>6</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001680/image.svg" src="" /></td><td>KQPYUDDGWXQXHS-UHFFFAOYSA-N</td><td></td><td>5-hydroxy-1,4-dihydronaphthalene-1,4-dione</td><td>174.155</td><td>2.09e+00 g/l</td><td>1.93</td><td>-1.92</td><td>InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H</td><td>OC1=CC=CC2=C1C(=O)C=CC2=O</td><td>-5.638911941293625</td><td>8.292097086921276</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001680">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1681"><td></td><td><a href="/entries/PHUB001681">Lupulone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001681</td><td>1681</td><td>414.277009704</td><td>C<sub>26</sub>H<sub>38</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001681/image.svg" src="" /></td><td>LSDULPZJLTZEFD-UHFFFAOYSA-N</td><td>468-28-0</td><td>3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclohexa-2,4-dien-1-one</td><td>414.586</td><td>9.12e-03 g/l</td><td>4.34</td><td>-4.66</td><td>InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28-29H,10,13-15H2,1-8H3</td><td>CC(C)CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O</td><td>-6.144215930711307</td><td>4.96432973444288</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001681">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1682"><td></td><td><a href="/entries/PHUB001682">Myristicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001682</td><td>1682</td><td>192.078644246</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001682/image.svg" src="" /></td><td>BNWJOHGLIBDBOB-UHFFFAOYSA-N</td><td></td><td>4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole</td><td>192.214</td><td>8.28e-01 g/l</td><td>2.47</td><td>-2.37</td><td>InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3</td><td>COC1=CC(CC=C)=CC2=C1OCO2</td><td>-4.538876091827281</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001682">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1683"><td></td><td><a href="/entries/PHUB001683">Oleoside 11-methylester</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001683</td><td>1683</td><td>404.131861593</td><td>C<sub>17</sub>H<sub>24</sub>O<sub>11</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001683/image.svg" src="" /></td><td>XSCVKBFEPYGZSL-NBLOLSIESA-N</td><td></td><td>2-[(2S,3Z,4S)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid</td><td>404.368</td><td>9.83e+00 g/l</td><td>-1.32</td><td>-1.61</td><td>InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6,8,10,12-14,16-18,21-23H,4-5H2,1-2H3,(H,19,20)/b7-3-/t8-,10+,12+,13-,14+,16-,17-/m0/s1</td><td>COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C/C)[C@@H]1CC(O)=O</td><td>-2.9810849052288235</td><td>3.865534259711027</td><td><a href="/food_sources/101">Olive, green</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001683">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1684"><td></td><td><a href="/entries/PHUB001684">Oleoside dimethylester</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001684</td><td>1684</td><td>418.147511657</td><td>C<sub>18</sub>H<sub>26</sub>O<sub>11</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001684/image.svg" src="" /></td><td>KYVUMEGNMQDSHO-VQQRNZRFSA-N</td><td></td><td>methyl (2S,3Z,4S)-3-ethylidene-4-(2-methoxy-2-oxoethyl)-2-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate</td><td>418.395</td><td>6.17e+00 g/l</td><td>-0.74</td><td>-1.83</td><td>InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7,9,11,13-15,17-19,21-23H,5-6H2,1-3H3/b8-4-/t9-,11+,13+,14-,15+,17-,18?/m0/s1</td><td>COC(=O)C[C@H]1\C(=C\C)[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC</td><td>-2.9810849052288235</td><td>12.204412619072176</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001684">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1685"><td></td><td><a href="/entries/PHUB001685">Oleuropein-aglycone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001685</td><td>1685</td><td>378.131467668</td><td>C<sub>19</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>oleuropein aglycone</td><td class="structure"><img data-src="/structures/PHUB001685/image.svg" src="" /></td><td>BIWKXNFEOZXNLX-BASWHVEKSA-N</td><td>31773-95-2</td><td>methyl (3Z)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylate</td><td>378.377</td><td>4.20e-02 g/l</td><td>2.16</td><td>-3.95</td><td>InChI=1S/C19H22O8/c1-3-12-13(14(18(23)25-2)10-27-19(12)24)9-17(22)26-7-6-11-4-5-15(20)16(21)8-11/h3-5,8,10,13,19-21,24H,6-7,9H2,1-2H3/b12-3-</td><td>COC(=O)C1=COC(O)\C(=C/C)C1CC(=O)OCCC1=CC(O)=C(O)C=C1</td><td>-4.209793447953245</td><td>9.283318444841122</td><td><a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/343">Olive, black</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001685">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1686"><td></td><td><a href="/entries/PHUB001686">Phlorin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001686</td><td>1686</td><td>286.10525292</td><td>C<sub>13</sub>H<sub>18</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001686/image.svg" src="" /></td><td>XQHXAOBGHLLCBT-ODLWRBBISA-N</td><td>26660-92-4</td><td>(2S,4R,6R)-4-(3,5-dihydroxyphenoxy)-6-(hydroxymethyl)cyclohexane-1,2,3-triol</td><td>286.28</td><td>1.59e+01 g/l</td><td>-1.20</td><td>-1.25</td><td>InChI=1S/C13H18O7/c14-5-6-1-10(12(18)13(19)11(6)17)20-9-3-7(15)2-8(16)4-9/h2-4,6,10-19H,1,5H2/t6-,10-,11?,12?,13+/m1/s1</td><td>OC[C@H]1C[C@@H](OC2=CC(O)=CC(O)=C2)C(O)[C@@H](O)C1O</td><td>-2.6322794435742285</td><td>9.214071400887553</td><td><a href="/food_sources/344">Grapefruit juice</a> / <a href="/food_sources/103">Orange juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001686">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1687"><td></td><td><a href="/entries/PHUB001687">Piperonal</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001687</td><td>1687</td><td>150.031694053</td><td>C<sub>8</sub>H<sub>6</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001687/image.svg" src="" /></td><td>SATCULPHIDQDRE-UHFFFAOYSA-N</td><td></td><td>2H-1,3-benzodioxole-5-carbaldehyde</td><td>150.133</td><td>8.28e+00 g/l</td><td>0.79</td><td>-1.26</td><td>InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2</td><td>[H]C(=O)C1=CC2=C(OCO2)C=C1</td><td>-4.748857576577568</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001687">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1688"><td></td><td><a href="/entries/PHUB001688">5-Heneicosenylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
82-henicos-1-enylbenzene-1,3-diol</td><td>PHUB001688</td><td>1688</td><td>402.349780721</td><td>C<sub>27</sub>H<sub>46</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001688/image.svg" src="" /></td><td>XCCWOQKGKACPQL-BQYQJAHWSA-N</td><td></td><td>5-[(14E)-henicos-14-en-1-yl]benzene-1,3-diol</td><td>402.663</td><td></td><td></td><td></td><td>InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h7-8,22-24,28-29H,2-6,9-21H2,1H3/b8-7+</td><td>CCCCCC\C=C\CCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/135">Rye</a></td><td><a href="/entries/PHUB002136">5-n-(16-Heneicosenyl)-resorcinol glucuronide</a> / <a href="/entries/PHUB002137">5-heneicosenylresorcinol sulfate</a> / <a href="/entries/PHUB002135">5-Heneicosylresorcinol glucuronide</a> / <a href="/entries/PHUB001688">5-Heneicosenylresorcinol</a> / <a href="/entries/PHUB002897">5-(Henei-12Z,15Z-cosadienyl)-resorcinol glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001688">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1694"><td></td><td><a href="/entries/PHUB001691">1-Acetoxypinoresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001691</td><td>1694</td><td>416.147117733</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001691/image.svg" src="" /></td><td>NATDFORNCKZPCI-FPHUIIFBSA-N</td><td></td><td>(1S,3aS,4R,6aR)-1,4-bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetate</td><td>416.426</td><td>7.88e-02 g/l</td><td>2.53</td><td>-3.72</td><td>InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3/t15-,20-,21-,22-/m1/s1</td><td>COC1=C(O)C=CC(=C1)[C@H]1OC[C@@]2(OC(C)=O)[C@@H]1CO[C@@H]2C1=CC(OC)=C(O)C=C1</td><td>-3.819292475461211</td><td>9.608473826521905</td><td><a href="/food_sources/102">Olive oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001691">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1695"><td></td><td><a href="/entries/PHUB001692">Ligstroside-aglycone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001692</td><td>1695</td><td></td><td></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-HPEA-Elenolic acid</td><td class="structure"><img data-src="/structures/PHUB001692/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/102">Olive oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001692">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1697"><td></td><td><a href="/entries/PHUB001694">Ligstroside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001694</td><td>1697</td><td>524.18937647</td><td>C<sub>25</sub>H<sub>32</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-HPEA-Elenolic acid glucoside</td><td class="structure"><img data-src="/structures/PHUB001694/image.svg" src="" /></td><td>GMQXOLRKJQWPNB-INPORNBYSA-N</td><td></td><td>methyl 3-ethylidene-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate</td><td>524.519</td><td>7.24e-01 g/l</td><td>0.77</td><td>-2.86</td><td>InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3-/t16?,18-,20-,21-,22-,24?,25+/m1/s1</td><td>[H]C(C)=C1C([H])(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)C1([H])CC(=O)OCCC1=CC=C(O)C=C1</td><td>-2.9810849052288235</td><td>9.502876651956331</td><td><a href="/food_sources/102">Olive oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001694">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1698"><td></td><td><a href="/entries/PHUB001695">Secoisolariciresinol di-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001695</td><td>1698</td><td>686.278585401</td><td>C<sub>32</sub>H<sub>46</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001695/image.svg" src="" /></td><td>SBVBJPHMDABKJV-PGCJWIIOSA-N</td><td></td><td>(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>686.704</td><td>8.45e-01 g/l</td><td>-0.28</td><td>-2.91</td><td>InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1</td><td>COC1=C(O)C=CC(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC2=CC(OC)=C(O)C=C2)=C1</td><td>-3.648377298779328</td><td>9.958288819175213</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001695">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1699"><td></td><td><a href="/entries/PHUB001696">7-Hydroxymatairesinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001696</td><td>1699</td><td>374.136553048</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001696/image.svg" src="" /></td><td>ZZSOKNNVDKKSDE-LPHKOSDUSA-N</td><td></td><td>(4R)-3-[(S)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one</td><td>374.389</td><td>3.67e-02 g/l</td><td>2.00</td><td>-4.01</td><td>InChI=1S/C20H22O7/c1-25-16-8-11(3-5-14(16)21)7-13-10-27-20(24)18(13)19(23)12-4-6-15(22)17(9-12)26-2/h3-6,8-9,13,18-19,21-23H,7,10H2,1-2H3/t13-,18?,19+/m0/s1</td><td>COC1=CC(C[C@H]2COC(=O)C2[C@H](O)C2=CC=C(O)C(OC)=C2)=CC=C1O</td><td>-3.2736705554452006</td><td>9.626846763883268</td><td></td><td><a href="/entries/PHUB001696">7-Hydroxymatairesinol</a> / <a href="/entries/PHUB001387">Enterolactone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001696">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1700"><td></td><td><a href="/entries/PHUB001697">7-Hydroxysecoisolariciresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001697</td><td>1700</td><td>378.167853177</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001697/image.svg" src="" /></td><td>VPDBTIFHPUYJJJ-HGUAOMBGSA-N</td><td></td><td>(2R,3R)-1-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butane-1,4-diol</td><td>378.421</td><td>7.87e-02 g/l</td><td>1.29</td><td>-3.68</td><td>InChI=1S/C20H26O7/c1-26-18-8-12(3-5-16(18)23)7-14(10-21)15(11-22)20(25)13-4-6-17(24)19(9-13)27-2/h3-6,8-9,14-15,20-25H,7,10-11H2,1-2H3/t14-,15-,20?/m0/s1</td><td>COC1=CC(C[C@@H](CO)[C@H](CO)C(O)C2=CC=C(O)C(OC)=C2)=CC=C1O</td><td>-2.6052383630667055</td><td>9.751463380539823</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001697">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1701"><td></td><td><a href="/entries/PHUB001698">Hydroxytyrosol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-(3',4'-dihydroxyphenyl)ethanol</td><td>PHUB001698</td><td>1701</td><td>154.062994182</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(3,4-hydroxyphenyl)ethanol; 3,4-DHPEA; 3,4-dihydroxyphenethyl alcohol; 3,4-dihydroxyphenylethanol; 3'-hydroxytyrosol; 4-(2-hydroxyethyl)-1,2-benzenediol; DOPET; homoprotocatechuyl alcohol</td><td class="structure"><img data-src="/structures/PHUB001698/image.svg" src="" /></td><td>JUUBCHWRXWPFFH-UHFFFAOYSA-N</td><td>10597-60-1</td><td>4-(2-hydroxyethyl)benzene-1,2-diol</td><td>154.165</td><td>1.74e+01 g/l</td><td>0.13</td><td>-0.95</td><td>InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2</td><td>OCCC1=CC=C(O)C(O)=C1</td><td>-2.4099441681107265</td><td>9.44823645704384</td><td><a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td><a href="/entries/PHUB002386">Hydroxytyrosol acetate sulfate</a> / <a href="/entries/PHUB002388">Hydroxytyrosol 4'-sulfate</a> / <a href="/entries/PHUB002390">Hydroxytyrosol 4'-glucuronide</a> / <a href="/entries/PHUB002675">Hydroxytyrosol glucuronide</a> / <a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a> / <a href="/entries/PHUB002676">Hydroxytyrosol sulfate</a> / <a href="/entries/PHUB001375">Homovanillic acid sulfate</a> / <a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB002602">Hydroxytyrosol 4â²-glucuronide</a> / <a href="/entries/PHUB002391">Hydroxytyrosol 3'-glucuronide</a> / <a href="/entries/PHUB002387">Hydroxytyrosol 3'-sulfate</a> / <a href="/entries/PHUB002673">Homovanillic alcohol glucuronide</a> / <a href="/entries/PHUB002677">Hydroxytyrosol sulfoglucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001698">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1702"><td></td><td><a href="/entries/PHUB001699">
83,4-DHPEA-EA</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001699</td><td>1702</td><td>378.131467668</td><td>C<sub>19</sub>H<sub>22</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4-DHPEA-Elenolic acid mono-aldehyde; 3,4-dihydroxyphenylethanol-elenolic acid; Oleuropein aglycone; Oleuropein-aglycone mono-aldehyde</td><td class="structure"><img data-src="/structures/PHUB001699/image.svg" src="" /></td><td>BIWKXNFEOZXNLX-SQOYHTLWSA-N</td><td></td><td>methyl (2R,3Z,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylate</td><td>378.377</td><td>4.20e-02 g/l</td><td>2.16</td><td>-3.95</td><td>InChI=1S/C19H22O8/c1-3-12-13(14(18(23)25-2)10-27-19(12)24)9-17(22)26-7-6-11-4-5-15(20)16(21)8-11/h3-5,8,10,13,19-21,24H,6-7,9H2,1-2H3/b12-3-/t13-,19+/m0/s1</td><td>COC(=O)C1=CO[C@@H](O)\C(=C/C)[C@@H]1CC(=O)OCCC1=CC=C(O)C(O)=C1</td><td>-4.209793447953245</td><td>9.283318444841122</td><td><a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/101">Olive, green</a></td><td><a href="/entries/PHUB002668">3,4-DHPEA-EA glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001699">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1703"><td></td><td><a href="/entries/PHUB001700">3,4-DHPEA-EDA</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001700</td><td>1703</td><td>320.125988364</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,4-DHPEA-Elenolic acid Di-Aldehyde; Oleuropein-aglycone di-aldehyde</td><td class="structure"><img data-src="/structures/PHUB001700/image.svg" src="" /></td><td>XLPXUPOZUYGVPD-XNJYKOPJSA-N</td><td></td><td>2-(3,4-dihydroxyphenyl)ethyl (4Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate</td><td>320.341</td><td>4.15e-02 g/l</td><td>2.71</td><td>-3.89</td><td>InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2+</td><td>[H]\C(C)=C(\C=O)C(CC=O)CC(=O)OCCC1=CC(O)=C(O)C=C1</td><td>-4.405819355400649</td><td>9.284725973178936</td><td><a href="/food_sources/102">Olive oil</a></td><td><a href="/entries/PHUB002679">3,4-DHPEA-EDA glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001700">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1704"><td></td><td><a href="/entries/PHUB001701">p-HPEA-EDA</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001701</td><td>1704</td><td>304.131073744</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Ligstroside-aglycone di-aldehyde; p-HPEA-Elenolic acid Di-Aldehyde</td><td class="structure"><img data-src="/structures/PHUB001701/image.svg" src="" /></td><td>VPOVFCBNUOUZGG-VVHNFQOZSA-N</td><td></td><td>2-(4-hydroxyphenyl)ethyl (4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate</td><td>304.342</td><td>1.56e-02 g/l</td><td>2.95</td><td>-4.29</td><td>InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-</td><td>[H]\C(C)=C(/C=O)C(CC=O)CC(=O)OCCC1=CC=C(O)C=C1</td><td>-4.4058193553500145</td><td>
89.503740968057729</td><td><a href="/food_sources/102">Olive oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001701">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1705"><td></td><td><a href="/entries/PHUB001702">p-HPEA-EA</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001702</td><td>1705</td><td>304.131073744</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Ligstroside-aglycone mono-aldehyde; p-HPEA-Elenolic acid mono-Aldehyde</td><td class="structure"><img data-src="/structures/PHUB001702/image.svg" src="" /></td><td>VPOVFCBNUOUZGG-VVHNFQOZSA-N</td><td></td><td>2-(4-hydroxyphenyl)ethyl (4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate</td><td>304.342</td><td>1.56e-02 g/l</td><td>2.95</td><td>-4.29</td><td>InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-</td><td>[H]\C(C)=C(/C=O)C(CC=O)CC(=O)OCCC1=CC=C(O)C=C1</td><td>-4.4058193553500145</td><td>9.503740968057729</td><td><a href="/food_sources/102">Olive oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001702">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1706"><td></td><td><a href="/entries/PHUB001703">16-O-Methylkahweol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001703</td><td>1706</td><td>328.203844762</td><td>C<sub>21</sub>H<sub>28</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001703/image.svg" src="" /></td><td>OHVRXOLZRGEGJQ-GVOJMRIRSA-N</td><td></td><td>[(1S,4S,12S,13R,16R,17R)-17-methoxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6,10-trien-17-yl]methanol</td><td>328.452</td><td>6.92e-03 g/l</td><td>3.73</td><td>-4.68</td><td>InChI=1S/C21H28O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(12-20,13-22)23-2/h6-8,10,14,16,18,22H,3-5,9,11-13H2,1-2H3/t14-,16-,18+,19-,20+,21+/m1/s1</td><td>CO[C@]1(CO)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C=CC2=C(C=CO2)[C@H]1CC3</td><td>-2.7744782844910354</td><td>14.358205734399512</td><td><a href="/food_sources/372">Green robusta coffee</a> / <a href="/food_sources/131">Robusta coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001703">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1707"><td></td><td><a href="/entries/PHUB001704">p-Methoxycinnamaldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8PHUB001704</td><td>1707</td><td>162.068079562</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001704/image.svg" src="" /></td><td>AXCXHFKZHDEKTP-NSCUHMNNSA-N</td><td></td><td>(2E)-3-(4-methoxyphenyl)prop-2-enal</td><td>162.188</td><td>2.78e-01 g/l</td><td>2.06</td><td>-2.77</td><td>InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+</td><td>COC1=CC=C(\C=C\C=O)C=C1</td><td>-4.214982657476348</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001704">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1708"><td></td><td><a href="/entries/PHUB001705">Rubrofusarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001705</td><td>1708</td><td>272.068473486</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001705/image.svg" src="" /></td><td>FPNKCZKRICBAKG-UHFFFAOYSA-N</td><td></td><td>5,6-dihydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one</td><td>272.256</td><td>1.46e-01 g/l</td><td>2.90</td><td>-3.27</td><td>InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3</td><td>COC1=CC(O)=C2C(O)=C3C(=O)C=C(C)OC3=CC2=C1</td><td>-4.7206571568671425</td><td>6.824094816742412</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001705">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1709"><td></td><td><a href="/entries/PHUB001706">Safrole</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001706</td><td>1709</td><td>162.068079562</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001706/image.svg" src="" /></td><td>ZMQAAUBTXCXRIC-UHFFFAOYSA-N</td><td></td><td>5-(prop-2-en-1-yl)-2H-1,3-benzodioxole</td><td>162.188</td><td>1.24e+00 g/l</td><td>2.23</td><td>-2.12</td><td>InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2</td><td>C=CCC1=CC2=C(OCO2)C=C1</td><td>-4.741508932190474</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001706">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1711"><td></td><td><a href="/entries/PHUB001708">Butein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001708</td><td>1711</td><td>272.068473486</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001708/image.svg" src="" /></td><td>AYMYWHCQALZEGT-ORCRQEGFSA-N</td><td></td><td>(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one</td><td>272.256</td><td>7.38e-02 g/l</td><td>2.61</td><td>-3.57</td><td>InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+</td><td>OC1=CC(O)=C(C=C1)C(=O)\C=C\C1=CC(O)=C(O)C=C1</td><td>-6.304198198345333</td><td>7.110531623615194</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001708">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1712"><td></td><td><a href="/entries/PHUB001709">(-)-Phaseollidin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001709</td><td>1712</td><td>324.136159124</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001709/image.svg" src="" /></td><td>OFWYIUYVHYPQNX-JXFKEZNVSA-N</td><td></td><td>(1R,10R)-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11,13,15-hexaene-5,14-diol</td><td>324.376</td><td>2.79e-02 g/l</td><td>3.79</td><td>-4.06</td><td>InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1</td><td>[H][C@@]12COC3=CC(O)=CC=C3[C@]1([H])OC1=C(CC=C(C)C)C(O)=CC=C21</td><td>-4.592245665846581</td><td>9.087967627298111</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001709">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1713"><td></td><td><a href="/entries/PHUB001710">(-)-Phaseollin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001710</td><td>1713</td><td>322.12050906</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001710/image.svg" src="" /></td><td>LWTDZKXXJRRKDG-KXBFYZLASA-N</td><td></td><td>(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0^{2,11}.0^{5,10}.0^{14,19}]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol</td><td>322.36</td><td>7.00e-03 g/l</td><td>4.14</td><td>-4.66</td><td>InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1</td><td>[H][C@@]12COC3=C(C=CC(O)=C3)[C@]1([H])OC1=C2C=CC2=C1C=CC(C)(C)O2</td><td>-4.422821909752098</td><td>9.420753775266402</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001710">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1714"><td></td><td><a href="/entries/PHUB001711">(-)-Phaseollinisoflavan</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001711</td><td>1714</td><td>324.136159124</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001711/image.svg" src="" /></td><td>UUJBHSNXZMGYBT-ZDUSSCGKSA-N</td><td></td><td>6-[(3R)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethyl-2H-chromen-5-ol</td><td>324.376</td><td>1.19e-02 g/l</td><td>3.77</td><td>-4.43</td><td>InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1</td><td>[H][C@]1(COC2=C(C1)C=CC(O)=C2)C1=C(O)C2=C(OC(C)(C)C=C2)C=C1</td><td>-4.57964421964058</td><td>9.43811666002344</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001711">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1715"><td></td><td><a href="/entries/PHUB001712">(-)-Variabilin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001712</td><td>1715</td><td>300.099773615</td><td>C<sub>17</sub>H<sub>16</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001712/image.svg" src="" /></td><td>VVPGAJNPGZZNBM-SJORKVTESA-N</td><td></td><td>(1R,10R)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11(16),12,14-hexaen-10-ol</td><td>300.31</td><td>1.48e-01 g/l</td><td>2.82</td><td>-3.31</td><td>InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3/t16-,17+/m1/s1</td><td>[H][C@]12OC3=C(C=CC(OC)=C3)[C@@]1(O)COC1=C2C=CC(OC)=C1</td><td>-4.094838800814623</td><td>12.036948329184675</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001712">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1716"><td></td><td><a href="/entries/PHUB001713">Cyclokievitone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001713</td><td>1716</td><td>354.1103383</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001713/image.svg" src="" /></td><td>AWLFGFDTGPLHKG-UHFFFAOYSA-N</td><td></td><td>3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-4-one</td><td>354.358</td><td>2.57e-02 g/l</td><td>3.50</td><td>-4.14</td><td>InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3</td><td>CC1(C)OC2=CC(O)=C3C(=O)C(COC3=C2C=C1)C1=CC=C(O)C=C1O</td><td>-4.6328361189457175</td><td>8.667837305047259</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001713">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1717"><td></td><td><a href="/entries/PHUB001714">Glycinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001714</td><td>1717</td><td>272.068473486</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001714/image.svg" src="" /></td><td>QMXOFBXZEKTJIK-LSDHHAIUSA-N</td><td></td><td>(1S,10S)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10,14-triol</td><td>272.256</td><td>8.45e-01 g/l</td><td>1.57</td><td>-2.51</td><td>InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1</td><td>[H][C@@]12OC3=C(C=CC(O)=C3)[C@]1(O)COC1=C2C=CC(O)=C1</td><td>-4.0930748643338415</td><td>9.104196321979753</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001714">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1718"><td></td><td><a href="/entries/PHUB001715">Pisatin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001715</td><td>1718</td><td>314.079038171</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001715/image.svg" src="" /></td><td>LZMRDTLRSDRUSU-SJORKVTESA-N</td><td></td><td>(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol</td><td>314.293</td><td>7.67e-01 g/l</td><td>1.75</td><td>-2.61</td><td>InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1</td><td>[H][C@]12OC3=CC4=C(OCO4)C=C3[C@@]1(O)COC1=C2C=CC(OC)=C1</td><td>-4.121902870524451</td><td>11.975073455591103</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001715">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1719"><td></td><td><a href="/entries/PHUB001716">Dehydrocafestol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001716</td><td>1719</td><td>298.193280077</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001716/image.svg" src="" /></td><td>JNDHLTWPNCPVFH-UHFFFAOYSA-N</td><td></td><td>{12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6,17-trien-17-yl}methanol</td><td>298.426</td><td>8.67e-03 g/l</td><td>4.20</td><td>-4.54</td><td>InChI=1S/C20H26O2/c1-19-7-5-17-15(6-9-22-17)16(19)4-8-20-10-13(2-3-18(19)20)14(11-20)12-21/h6,9,11,13,16,18,21H,2-5,7-8,10,12H2,1H3</td><td>CC12CCC3=C(C=CO3)C1CCC13CC(CCC21)C(CO)=C3</td><td>-1.825673622405368</td><td>17.097540830853617</td><td><a href="/food_sources/346">Roasted coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001716">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1720"><td></td><td><a href="/entries/PHUB001717">Dehydrokahweol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001717</td><td>1720</td><td>296.177630013</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001717/image.svg" src="" /></td><td>NHWSMZVXULVGOK-UHFFFAOYSA-N</td><td></td><td>{12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6,10,17-tetraen-17-yl}methanol</td><td>296.41</td><td>9.38e-03 g/l</td><td>4.41</td><td>-4.50</td><td>InChI=1S/C20H24O2/c1-19-7-5-17-15(6-9-22-17)16(19)4-8-20-10-13(2-3-18(19)20)14(11-20)12-21/h5-7,9,11,13,16,18,21H,2-4,8,10,12H2,1H3</td><td>CC12C=CC3=C(C=CO3)C1CCC13CC(CCC21)C(CO)=C3</td><td>-1.831088474541819</td><td>17.09754078224996</td><td><a href="/food_sources/173">Arabica coffee</a> / <a href="/food_sources/346">Roasted coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001717">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1721"><td></td><td><a href="/entries/PHUB001718">7-Oxomatairesinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001718</td><td>1721</td><td>372.120902984</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001718/image.svg" src="" /></td><td>IHQUAAXBXPJDEX-FVRDMJKUSA-N</td><td></td><td>(4R)-3-(4-hydroxy-3-methoxybenzoyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one</td><td>372.373</td><td>1.82e-02 g/l</td><td>3.17</td><td>-4.31</td><td>InChI=1S/C20H20O7/c1-25-16-8-11(3-5-14(16)21)7-13-10-27-20(24)18(13)19(23)12-4-6-15(22)17(9-12)26-2/h3-6,8-9,13,18,21-22H,7,10H2,1-2H3/t13-,18?/m0/s1</td><td>COC1=CC(C[C@H]2COC(=O)C2C(=O)C2=CC=C(O)C(OC)=C2)=CC=C1O</td><td>-4.592832609798388</td><td>8.212630456465616</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001718">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1722"><td></td><td><a href="/entries/PHUB001719">Anhydro-secoisolariciresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001719</td><td>1722</td><td>344.162373873</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001719/image.svg" src="" /></td><td>ROGUIJKVZZROIQ-UHFFFAOYSA-N</td><td></td><td>4-({4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl}methyl)-2-methoxyphenol</td><td>344.407</td><td>1.35e-02 g/l</td><td>3.13</td><td>-4.41</td><td>InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3</td><td>COC1=CC(CC2COCC2CC2=CC(OC)=C(O)C=C2)=CC=C1O</td><td>-3.99839946144319</td><td>9.963158766241396</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001719">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1723"><td></td><td><a href="/entries/PHUB001720">Arctigenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001720</td><td>1723</td><td>372.157288493</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001720/image.svg" src="" /></td><td>NQWVSMVXKMHKTF-JKSUJKDBSA-N</td><td></td><td>(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one</td><td>372.417</td><td>1.06e-02 g/l</td><td>3.20</td><td>-4.54</td><td>InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1</td><td>COC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC2=CC=C(O)C(OC)=C2)C=C1OC</td><td>-4.414892891268763</td><td>9.945546155194782</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001720">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1724"><td></td><td><a href="/entries/PHUB001721">Conidendrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001721</td><td>1724</td><td>356.125988364</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001721/image.svg" src="" /></td><td>CAYMSCGTKZIVTN-PJIJBLCYSA-N</td><td></td><td>(3aS,4R,9aR)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1H,3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-1-one</td><td>356.374</td><td>1.94e-02 g/l</td><td>2.68</td><td>-4.26</td><td>InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14-,19-/m1/s1</td><td>COC1=CC2=C(C=C1O)[C@H]([C@@H]1COC(=O)[C@@H]1C2)C1=CC=C(O)C(OC)=C1</td><td>-4.590109739506539</td><td>9.587003085502715</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001721">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1725"><td></td><td><a href="/entries/PHUB001722">Cyclolariciresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001722</td><td>1725</td><td>360.157288493</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001722/image.svg" src="" /></td><td>OGFXBIXJCWAUCH-KPHUOKFYSA-N</td><td></td><td>(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol</td><td>360.406</td><td>2.74e-02 g/l</td><td>1.79</td><td>-4.12</td><td>InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1</td><td>COC1=C(O)C=C2[C@@H]([C@@H](CO)[C@H](CO)CC2=C1)C1=CC(OC)=C(O)C=C1</td><td>-2.603686461041046</td><td>9.83820407739868</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001722">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1726"><td></td><td><a href="/entries/PHUB001723">Dimethylmatairesinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001723</td><td>1726</td><td>386.172938557</td><td>C<sub>22</sub>H<sub>26</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001723/image.svg" src="" /></td><td>SNAOLIMFHAAIER-DLBZAZTESA-N</td><td></td><td>(3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one</td><td>386.444</td><td>3.17e-03 g/l</td><td>4.04</td><td>-5.09</td><td>InChI=1S/C22H26O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17H,9-10,13H2,1-4H3/t16-,17+/m0/s1</td><td>COC1=C(OC)C=C(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(OC)C=C2)C=C1</td><td>-4.290603827427645</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001723">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1728"><td></td><td><a href="/entries/PHUB001725">Episesaminol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001725</td><td>1728</td><td>370.10525292</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001725/image.svg" src="" /></td><td>KQRXQIPRDKVZPW-ICCDWZQGSA-N</td><td></td><td>6-[(1R,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-ol</td><td>370.357</td><td>3.53e-01 g/l</td><td>1.98</td><td>-3.02</td><td>InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2/t12-,13-,19+,20-/m0/s1</td><td>[H][C@]12CO[C@@H](C3=CC4=C(OCO4)C=C3O)[C@@]1([H])CO[C@@H]2C1=CC2=C(OCO2)C=C1</td><td>-3.7751975564756726</td><td>9.352988645058153</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001725">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1729"><td></td><td><a href="/entries/PHUB001726">Isohydroxymatairesinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001726</td><td>1729</td><td>374.136553048</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001726/image.svg" src="" /></td><td>BTXZSJTULWTSJG-BIENJYKASA-N</td><td></td><td>(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-2-one</td><td>374.389</td><td>3.17e-02 g/l</td><td>2.06</td><td>-4.07</td><td>InChI=1S/C20H22O7/c1-25-17-8-11(3-5-15(17)22)7-13-14(10-21)19(27-20(13)24)12-4-6-16(23)18(9-12)26-2/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1</td><td>[H][C@@]1(CO)[C@H](OC(=O)[C@]1([H])CC1=CC(OC)=C(O)C=C1)C1=CC=C(O)C(OC)=C1</td><td>-2.6472200518764515</td><td>9.626466651515488</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001726">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1730"><td></td><td><a href="/entries/PHUB001727">Isolariciresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001727</td><td>1730</td><td>360.157288493</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001727/image.svg" src="" /></td><td>OGFXBIXJCWAUCH-KPHUOKFYSA-N</td><td></td><td>(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol</td><td>360.406</td><td>2.74e-02 g/l</td><td>1.79</td><td>-4.12</td><td>InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1</td><td>COC1=C(O)C=C2[C@@H]([C@@H](CO)[C@H](CO)CC2=C1)C1=CC(OC)=C(O)C=C1</td><td>-2.603686461041046</td><td>9.83820407739868</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001727">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1731"><td></td><td><a href="/entries/PHUB001728">Lariciresinol-sesquilignan</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001728</td><td>1731</td><td>556.230847359</td><td>C<sub>30</sub>H<sub>36</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001728/image.svg" src="" /></td><td>MWGNJVCCJCKLGJ-UHFFFAOYSA-N</td><td></td><td>1-(4-hydroxy-3-methoxyphenyl)-2-(4-{4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2-methoxyphenoxy)propane-1,3-diol</td><td>556.608</td><td>1.32e-02 g/l</td><td>2.46</td><td>-4.63</td><td>InChI=1S/C30H36O10/c1-36-25-11-17(4-7-22(25)33)10-20-16-39-30(21(20)14-31)19-6-9-24(27(13-19)38-3)40-28(15-32)29(35)18-5-8-23(34)26(12-18)37-2/h4-9,11-13,20-21,28-35H,10,14-16H2,1-3H3</td><td>COC1=CC(CC2COC(C2CO)C2=CC=C(OC(CO)C(O)C3=CC=C(O)C(OC)=C3)C(OC)=C2)=CC=C1O</td><td>-2.6393326877072285</td><td>9.749884254914544</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001728">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1732"><td></td><td><a href="/entries/PHUB001729">Medioresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001729</td><td>1732</td><td>388.152203113</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001729/image.svg" src="" /></td><td>VJOBNGRIBLNUKN-ITZZLVQVSA-N</td><td></td><td>4-[(3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol</td><td>388.416</td><td>3.95e-02 g/l</td><td>2.26</td><td>-3.99</td><td>InChI=1S/C21H24O7/c1-24-16-6-11(4-5-15(16)22)20-13-9-28-21(14(13)10-27-20)12-7-17(25-2)19(23)18(8-12)26-3/h4-8,13-14,20-23H,9-10H2,1-3H3/t13-,14-,20+,21?/m0/s1</td><td>[H][C@]12COC(C3=CC(OC)=C(O)C(OC)=C3)[C@@]1([H])CO[C@@H]2C1=CC(OC)=C(O)C=C1</td><td>-3.7713642401065877</td><td>9.207220513876575</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001729">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1733"><td></td><td><a href="/entries/PHUB001730">Nortrachelogenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001730</td><td>1733</td><td>374.136553048</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001730/image.svg" src="" /></td><td>ZITBJWXLODLDRH-XOBRGWDASA-N</td><td></td><td>(3S,4S)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one</td><td>374.389</td><td>2.75e-02 g/l</td><td>1.88</td><td>-4.13</td><td>InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20-/m0/s1</td><td>COC1=C(O)C=CC(C[C@H]2COC(=O)[C@]2(O)CC2=CC(OC)=C(O)C=C2)=C1</td><td>-4.1112111780119625</td><td>9.641583479050139</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001730">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1734"><td></td><td><a href="/entries/PHUB001731">Secoisolariciresinol-sesquilignan</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001731</td><td>1734</td><td>558.246497424</td><td>C<sub>30</sub>H<sub>38</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001731/image.svg" src="" /></td><td>XPALWKWOFOYYIV-UHFFFAOYSA-N</td><td></td><td>2-[(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol</td><td>558.624</td><td>7.62e-03 g/l</td><td>2.65</td><td>-4.86</td><td>InChI=1S/C30H38O10/c1-37-26-12-18(4-7-23(26)34)10-21(15-31)22(16-32)11-19-5-9-25(28(13-19)39-3)40-29(17-33)30(36)20-6-8-24(35)27(14-20)38-2/h4-9,12-14,21-22,29-36H,10-11,15-17H2,1-3H3</td><td>COC1=CC(CC(CO)C(CO)CC2=CC=C(OC(CO)C(O)C3=CC=C(O)C(OC)=C3)C(OC)=C2)=CC=C1O</td><td>-2.603209193350369</td><td>9.750029058840676</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001731">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1735"><td></td><td><a href="/entries/PHUB001732">Sesamin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001732</td><td>1735</td><td>354.1103383</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001732/image.svg" src="" /></td><td>PEYUIKBAABKQKQ-AFHBHXEDSA-N</td><td></td><td>5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole</td><td>354.358</td><td>2.24e-02 g/l</td><td>2.25</td><td>-4.20</td><td>InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1</td><td>[H][C@]12CO[C@H](C3=CC4=C(OCO4)C=C3)[C@@]1([H])CO[C@@H]2C1=CC2=C(OCO2)C=C1</td><td>-3.7750497381707224</td><td></td><td></td><td><a href="/entries/PHUB001732">Sesamin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001732">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1736"><td></td><td><a href="/entries/PHUB001733">Sesaminol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001733</td><td>1736</td><td>370.10525292</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001733/image.svg" src="" /></td><td>KQRXQIPRDKVZPW-ZACCDXADSA-N</td><td></td><td>6-[(1S,4S)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-ol</td><td>370.357</td><td>3.53e-01 g/l</td><td>1.98</td><td>-3.02</td><td>InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2/t12?,13?,19-,20-/m1/s1</td><td>OC1=CC2=C(OCO2)C=C1[C@H]1OCC2C1CO[C@@H]2C1=CC2=C(OCO2)C=C1</td><td>-3.7751975564756726</td><td>9.352988645058153</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001733">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1737"><td></td><td><a href="/entries/PHUB001734">Sesamol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001734</td><td>1737</td><td>138.031694053</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001734/image.svg" src="" /></td><td>LUSZGTFNYDARNI-UHFFFAOYSA-N</td><td></td><td>2H-1,3-benzodioxol-5-ol</td><td>138.122</td><td>7.73e+01 g/l</td><td>0.89</td><td>-0.25</td><td>InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2</td><td>OC1=CC2=C(OCO2)C=C1</td><td>-4.739368744943291</td><td>9.794858956698127</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001734">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1738"><td></td><td><a href="/entries/PHUB001735">Sesamolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001735</td><td>1738</td><td>370.10525292</td><td>C<sub>20</sub>H<sub>18</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001735/image.svg" src="" /></td><td>ZZMNWJVJUKMZJY-AFHBHXEDSA-N</td><td></td><td>
85-[(1S,3aR,4R,6aR)-4-(2H-1,3-benzodioxol-5-yloxy)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole</td><td>370.357</td><td>1.02e-01 g/l</td><td>2.21</td><td>-3.56</td><td>InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1</td><td>[H][C@]12CO[C@H](C3=CC4=C(OCO4)C=C3)[C@@]1([H])CO[C@@H]2OC1=CC2=C(OCO2)C=C1</td><td>-3.7968570256106493</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001735">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1739"><td></td><td><a href="/entries/PHUB001736">Sesamolinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001736</td><td>1739</td><td>372.120902984</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001736/image.svg" src="" /></td><td>OJVGWDJIYBTWDS-AFHBHXEDSA-N</td><td></td><td>4-{[(1R,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]oxy}-2-methoxyphenol</td><td>372.373</td><td>1.08e-01 g/l</td><td>2.15</td><td>-3.54</td><td>InChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1</td><td>[H][C@]12CO[C@H](C3=CC4=C(OCO4)C=C3)[C@@]1([H])CO[C@@H]2OC1=CC(OC)=C(O)C=C1</td><td>-3.8123993276641217</td><td>10.277612395629701</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001736">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1740"><td></td><td><a href="/entries/PHUB001737">Syringaresinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001737</td><td>1740</td><td>418.162767797</td><td>C<sub>22</sub>H<sub>26</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001737/image.svg" src="" /></td><td>KOWMJRJXZMEZLD-UHFFFAOYSA-N</td><td></td><td>4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol</td><td>418.442</td><td>4.79e-02 g/l</td><td>2.23</td><td>-3.94</td><td>InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3</td><td>COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(O)C(OC)=C1</td><td>-3.7414184111188975</td><td>9.001968892253409</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001737">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1741"><td></td><td><a href="/entries/PHUB001738">Todolactol A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001738</td><td>1741</td><td>376.152203113</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001738/image.svg" src="" /></td><td>VUKYFJWPBAAZAU-UHFFFAOYSA-N</td><td></td><td>4-[hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-ol</td><td>376.405</td><td>1.25e-01 g/l</td><td>1.26</td><td>-3.48</td><td>InChI=1S/C20H24O7/c1-25-17-8-11(3-5-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-16(22)18(9-12)26-2/h3-6,8-9,13-14,19-24H,7,10H2,1-2H3</td><td>COC1=CC(CC2C(O)OCC2C(O)C2=CC=C(O)C(OC)=C2)=CC=C1O</td><td>-3.194543433751257</td><td>9.746164413621205</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001738">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1743"><td></td><td><a href="/entries/PHUB001740">Sitosterol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001740</td><td>1743</td><td>414.38616623</td><td>C<sub>29</sub>H<sub>50</sub>O</td><td>Terpenoids</td><td>Phytosterols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(-)-β-Sitosterol; 22,23-Dihydrostigmasterol; 24α-Ethylcholesterol; Azuprostat; Cupreol; Nimbosterol; Triastonal; α-Dihydrofucosterol; β-Sitosterin</td><td class="structure"><img data-src="/structures/PHUB001740/image.svg" src="" /></td><td>KZJWDPNRJALLNS-VJSFXXLFSA-N</td><td>83-46-5</td><td>(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol</td><td>414.718</td><td>1.84e-05 g/l</td><td>7.27</td><td>-7.35</td><td>InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1</td><td>[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C</td><td>-1.397243770292629</td><td>18.20428950550382</td><td><a href="/food_sources/346">Roasted coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001740">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1744"><td></td><td><a href="/entries/PHUB001741">Trilobatin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001741</td><td>1744</td><td>422.121296908</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-Phloridzin; p-Phlorizin; phloretin 4'-glucoside</td><td class="structure"><img data-src="/structures/PHUB001741/image.svg" src="" /></td><td>HNSCHTXMUKISFH-UHZRXMQZSA-N</td><td>4192-90-9</td><td>1-(2,6-dihydroxy-4-{[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one</td><td>422.386</td><td>1.51e+00 g/l</td><td>0.57</td><td>-2.45</td><td>InChI=1S/C20H22O10/c21-10-4-1-9(2-5-10)3-6-12(22)15-13(23)7-11(8-14(15)24)29-20-18(27)16(25)17(26)19(28)30-20/h1-2,4-5,7-8,16-21,23-28H,3,6H2/t16-,17-,18+,19-,20+/m0/s1</td><td>O[C@H]1O[C@@H](OC2=CC(O)=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td>-3.711791025098537</td><td>8.747677602811091</td><td><a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001741">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1745"><td></td><td><a href="/entries/PHUB001742">Punicalagin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001742</td><td>1745</td><td>1084.066539502</td><td>C<sub>48</sub>H<sub>28</sub>O<sub>30</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>HDP-gallagyl-hexoside</td><td class="structure"><img data-src="/structures/PHUB001742/image.svg" src="" /></td><td>BFMMRDUWGRKGNX-UHFFFAOYSA-N</td><td></td><td>3,4,5,15,16,17-hexahydroxy-8,13-dioxo-11-{3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.0^{2,7}.0^{15,20}.0^{21,30}.0^{24,29}.0^{28,33}]pentatriaconta-1(27),2(7),3,5,15,17,19,21(30),22,24(29),28(33),34-dodecaen-10-yl}-9,12-dioxatricyclo[12.4.0.0^{2,7}]octadeca-1(18),2,4,6,14,16-hexaene-10-carbaldehyde</td><td>1084.722</td><td>1.90e+00 g/l</td><td>3.28</td><td>-2.76</td><td>
8InChI=1S/C48H28O30/c49-5-16-40(76-46(70)20-7(1-11(50)30(58)34(20)62)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)9-3-13(52)28(56)32(60)18(9)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)19-10(45(69)75-39)4-14(53)29(57)33(19)61/h1-5,15-16,39-40,50-66H,6H2</td><td>OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=C(O)C(O)=C(O)C=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC1C=O</td><td>-4.352338578212109</td><td>4.3196457126570085</td><td><a href="/food_sources/250">Pomegranate</a> / <a href="/food_sources/347">Pomegranate juice</a></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001742">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1746"><td></td><td><a href="/entries/PHUB001743">(-)-Epicatechin-5-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001743</td><td>1746</td><td>466.111126148</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001743/image.svg" src="" /></td><td>KGLMKAPOVXBIJB-FVNRAWLNSA-N</td><td></td><td>6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>466.395</td><td>2.92e+00 g/l</td><td>0.01</td><td>-2.20</td><td>InChI=1S/C21H22O12/c22-8-4-13-9(6-12(25)18(31-13)7-1-2-10(23)11(24)3-7)14(5-8)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15?,16?,17?,18-,19?,21?/m1/s1</td><td>O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.6868269056532035</td><td>2.9302345525762274</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001743">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1748"><td></td><td><a href="/entries/PHUB001745">5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(3'-hydroxyphenyl)valeric acid-4'-glucuronide</td><td>PHUB001745</td><td>1748</td><td>402.116211528</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>4-hydroxy-5-(3-hydroxyphenyl)valeric acid-4-glucuronide; 4-hydroxy-5-(3'-hydroxyphenyl)valeric acid-4'-glucuronide; 5-(4-hydroxyphenyl)-4-hydroxyvaleric acid-4-glucuronide; 5-(4'-hydroxyphenyl)-4-hydroxyvaleric acid-4'-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001745/image.svg" src="" /></td><td>LLKUARGHNZMSRT-UHFFFAOYSA-N</td><td></td><td></td><td>402.352</td><td></td><td></td><td></td><td>InChI=1S/C17H22O11/c18-8(2-4-11(20)21)5-7-1-3-10(9(19)6-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-19,22-24H,2,4-5H2,(H,20,21)(H,25,26)</td><td>OC(CCC(O)=O)CC1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001745">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1751"><td></td><td><a href="/entries/PHUB001746">(-)-Epicatechin-7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-7-glucuronide</td><td>PHUB001746</td><td>1751</td><td>466.111126148</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>12</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001746/image.svg" src="" /></td><td>FDWDKTKDGDLDTP-HUTRNBJCSA-N</td><td></td><td>6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>466.395</td><td>2.68e+00 g/l</td><td>0.04</td><td>-2.24</td><td>InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)/t13-,15?,16?,17?,18-,19?,21?/m1/s1</td><td>O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O</td><td>-3.686826778056623</td><td>2.8439218919579714</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001746">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1752"><td></td><td><a href="/entries/PHUB001747">3'-O-Methyl-epicatechin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001747</td><td>1752</td><td>304.094688235</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001747/image.svg" src="" /></td><td>NJHJXXLBWQXMRO-CZUORRHYSA-N</td><td></td><td>(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>304.298</td><td>3.25e-01 g/l</td><td>1.30</td><td>-2.97</td><td>InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1</td><td>COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2</td><td>-3.2899991857638278</td><td>9.307243628972142</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001747">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1753"><td></td><td><a href="/entries/PHUB001748">4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001748</td><td>1753</td><td>416.131861593</td><td>C<sub>18</sub>H<sub>24</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>4-hydroxy-5-(3-methoxyphenyl)valeric acid-4- glucuronide; 5-(3-methoxyphenyl)-4-hydroxyvaleric acid-4-glucuronide; 5-(3'-methoxyphenyl)-4-hydroxyvaleric acid-4'-glucuronide; 5-(3'-Methoxyphenyl)-gamma-hydroxyvaleric acid-4'-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001748/image.svg" src="" /></td><td>WOBDOUCWWPCYBL-UHFFFAOYSA-N</td><td></td><td>6-[4-(4-carboxy-2-hydroxybutyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>416.379</td><td>4.05e+00 g/l</td><td>-0.68</td><td>-2.01</td><td>InChI=1S/C18H24O11/c1-27-11-7-8(6-9(19)3-5-12(20)21)2-4-10(11)28-18-15(24)13(22)14(23)16(29-18)17(25)26/h2,4,7,9,13-16,18-19,22-24H,3,5-6H2,1H3,(H,20,21)(H,25,26)</td><td>COC1=CC(CC(O)CCC(O)=O)=CC=C1OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-2.7416207765877205</td><td>3.0674226360895913</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001748">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1754"><td></td><td><a href="/entries/PHUB001749">5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001749</td><td>1754</td><td>210.089208931</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001749/image.svg" src="" /></td><td>CBCIWEQMPVKOHC-UHFFFAOYSA-N</td><td></td><td>4-hydroxy-5-(3-hydroxyphenyl)pentanoic acid</td><td>210.229</td><td>1.84e+00 g/l</td><td>0.99</td><td>-2.06</td><td>InChI=1S/C11H14O4/c12-9-3-1-2-8(6-9)7-10(13)4-5-11(14)15/h1-3,6,10,12-13H,4-5,7H2,(H,14,15)</td><td>OC(CCC(O)=O)CC1=CC=CC(O)=C1</td><td>-2.748168905598985</td><td>4.290378009827262</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001749">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1755"><td></td><td><a href="/entries/PHUB001750">5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001750</td><td>1755</td><td>290.046023965</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001750/image.svg" src="" /></td><td>DMBFBGLRQKIWGT-UHFFFAOYSA-M</td><td></td><td>4-hydroxy-5-[3-(sulfooxy)phenyl]pentanoic acid</td><td>290.29</td><td></td><td></td><td></td><td>InChI=1S/C11H14O7S/c12-9(4-5-11(13)14)6-8-2-1-3-10(7-8)18-19(15,16)17/h1-3,7,9,12H,4-6H2,(H,13,14)(H,15,16,17)/p-1</td><td>OC(CCC(O)=O)CC1=CC=CC(OS(O)(=O)=O)=C1</td><td>-2.7537311905121236</td><td>-1.826559620626747</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001750">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1756"><td></td><td><a href="/entries/PHUB001751">5-(Phenyl)-gamma-valerolactone-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-3â²-sulfate</td><td>PHUB001751</td><td>1756</td><td>272.03545928</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001751/image.svg" src="" /></td><td>DPRDYFJWDRNYAZ-UHFFFAOYSA-M</td><td></td><td>{3-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid</td><td>272.27</td><td></td><td></td><td></td><td>InChI=1S/C11H12O6S/c12-11-5-4-9(16-11)6-8-2-1-3-10(7-8)17-18(13,14)15/h1-3,7,9H,4-6H2,(H,13,14,15)/p-1</td><td>OS(=O)(=O)OC1=CC(CC2CCC(=O)O2)=CC=C1</td><td>-7.043280594324714</td><td>-1.9812497991221525</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002662">
8Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001751">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1757"><td></td><td><a href="/entries/PHUB001752">4-Hydroxybenzoic acid -3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001752</td><td>1757</td><td>233.983423707</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001752/image.svg" src="" /></td><td>GSFKEOSQCKWCLH-UHFFFAOYSA-N</td><td></td><td>4-hydroxy-3-(sulfooxy)benzoic acid</td><td>234.18</td><td></td><td></td><td></td><td>InChI=1S/C7H6O7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)</td><td>OC(=O)C1=CC=C(O)C(OS(O)(=O)=O)=C1</td><td>-4.517435120762647</td><td>-2.6957594299758703</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000574">Caffeic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001752">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1758"><td></td><td><a href="/entries/PHUB001753">3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001753</td><td>1758</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001753/image.svg" src="" /></td><td>MIMULQQHBAZGER-UHFFFAOYSA-N</td><td></td><td>3-[4-hydroxy-3-(sulfooxy)phenyl]propanoic acid</td><td>262.23</td><td></td><td></td><td></td><td>InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15)</td><td>OC(=O)CCC1=CC=C(O)C(OS(O)(=O)=O)=C1</td><td>-4.413439904857457</td><td>-2.231573080921956</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000574">Caffeic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001753">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1759"><td></td><td><a href="/entries/PHUB001754">5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001754</td><td>1759</td><td>384.105646844</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>5-(3-hydroxyphenyl)-γ-valerolactone-4-glucuronide; 5-(3'-hydroxyphenyl)-γ-valerolactone-4'-glucuronide; 5-(3',4'-dihydroxyphenyl)-γ-valerolactone-4'-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001754/image.svg" src="" /></td><td>OTBJYBQGMPICIK-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{2-hydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid</td><td>384.337</td><td>6.45e+00 g/l</td><td>-0.22</td><td>-1.78</td><td>InChI=1S/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)</td><td>OC1C(O)C(OC2=CC=C(CC3CCC(=O)O3)C=C2O)OC(C1O)C(O)=O</td><td>-3.686827975275016</td><td>3.0598960355045133</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001754">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1760"><td></td><td><a href="/entries/PHUB001755">5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(4'-Hydroxyphenyl)-γ-valerolactone-3'-sulfate</td><td>PHUB001755</td><td>1760</td><td>288.0303739</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>7</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001755/image.svg" src="" /></td><td>YAXFVDUJDAQPTJ-MRVPVSSYSA-M</td><td></td><td>(2-hydroxy-5-{[(2R)-5-oxooxolan-2-yl]methyl}phenyl)oxidanesulfonic acid</td><td>288.27</td><td></td><td></td><td></td><td>InChI=1S/C11H12O7S/c12-9-3-1-7(5-8-2-4-11(13)17-8)6-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16)/p-1/t8-/m1/s1</td><td>OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1OS(O)(=O)=O</td><td>-4.413491424833225</td><td>-2.1298547235396534</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002658">Almond Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001755">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1761"><td></td><td><a href="/entries/PHUB001756">Taxifolin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001756</td><td>1761</td><td>304.058302726</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dihydroquercetin; trans-Dihydroquercetin</td><td class="structure"><img data-src="/structures/PHUB001756/image.svg" src="" /></td><td>CXQWRCVTCMQVQX-LSDHHAIUSA-N</td><td>480-18-2</td><td>(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one</td><td>304.254</td><td>1.16e+00 g/l</td><td>1.07</td><td>-2.42</td><td>InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1</td><td>O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1</td><td>-4.040608005010741</td><td>7.742827034290162</td><td><a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001756">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1763"><td></td><td><a href="/entries/PHUB001758">Agrimoniin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001758</td><td>1763</td><td>1870.158111979</td><td>C<sub>82</sub>H<sub>54</sub>O<sub>52</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001758/image.svg" src="" /></td><td>BZAFROBDXRJYTQ-JVEQELPQSA-N</td><td>82203-01-8</td><td>(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11(16),12,14,26(31),27,29,32,34,36-dodecaen-20-yl 2-[5-({[(1R,2S,19R,20R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5,7,9,11(16),12,14,26(31),27,29,32(37),33,35-dodecaen-20-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate</td><td>1871.282</td><td>2.53e+00 g/l</td><td>4.08</td><td>-2.87</td><td>InChI=1S/C82H54O52/c83-24-1-14(71(112)133-81-69-67(129-76(117)19-7-29(88)50(98)59(107)41(19)43-21(78(119)131-69)9-31(90)52(100)61(43)109)65-35(125-81)12-122-72(113)15-3-25(84)46(94)55(103)37(15)39-17(74(115)127-65)5-27(86)48(96)57(39)105)2-34(45(24)93)124-64-23(11-33
8(92)54(102)63(64)111)80(121)134-82-70-68(130-77(118)20-8-30(89)51(99)60(108)42(20)44-22(79(120)132-70)10-32(91)53(101)62(44)110)66-36(126-82)13-123-73(114)16-4-26(85)47(95)56(104)38(16)40-18(75(116)128-66)6-28(87)49(97)58(40)106/h1-11,35-36,65-70,81-111H,12-13H2/t35-,36-,65-,66-,67+,68+,69-,70-,81-,82-/m1/s1</td><td>OC1=CC(=CC(OC2=C(O)C(O)=C(O)C=C2C(=O)O[C@H]2O[C@@H]3COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(O)C(O)=C(O)C=C4C(=O)O[C@H]3[C@@H]3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)O[C@@H]23)=C1O)C(=O)O[C@H]1O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]12</td><td>-5.911114757563039</td><td>7.056737463244186</td><td><a href="/food_sources/142">Strawberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001758">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1764"><td></td><td><a href="/entries/PHUB001759">3-Hydroxyphloretin 2'-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001759</td><td>1764</td><td>452.131861593</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001759/image.svg" src="" /></td><td>AONTYURQWYQJNQ-OBJCFNGXSA-N</td><td></td><td>1-(2,4-dihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)propan-1-one</td><td>452.412</td><td>1.44e+00 g/l</td><td>0.27</td><td>-2.50</td><td>InChI=1S/C21H24O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-15-7-10(23)6-14(27)17(15)12(25)4-2-9-1-3-11(24)13(26)5-9/h1,3,5-7,16,18-24,26-30H,2,4,8H2/t16-,18+,19+,20-,21-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O</td><td>-2.981092346304827</td><td>7.863305247200087</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001759">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1765"><td></td><td><a href="/entries/PHUB001760">3-Hydroxyphloretin-2'-xylosyl-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001760</td><td>1765</td><td>584.17412033</td><td>C<sub>26</sub>H<sub>32</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001760/image.svg" src="" /></td><td>ILXISCCVBSLKSX-VRARJMDQSA-N</td><td></td><td>1-(2,4-dihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)propan-1-one</td><td>584.527</td><td>2.75e+00 g/l</td><td>-0.35</td><td>-2.33</td><td>InChI=1S/C26H32O15/c27-11-6-15(31)19(13(29)4-2-10-1-3-12(28)14(30)5-10)17(7-11)40-26-24(37)22(35)21(34)18(41-26)9-39-25-23(36)20(33)16(32)8-38-25/h1,3,5-7,16,18,20-28,30-37H,2,4,8-9H2/t16-,18-,20-,21+,22+,23-,24-,25+,26-/m1/s1</td><td>O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=CC(O)=C3C(=O)CCC3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O</td><td>-3.6726782095556287</td><td>7.863291598802946</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001760">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1766"><td></td><td><a href="/entries/PHUB001761">Dihydromyricetin 3-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001761</td><td>1766</td><td>466.111126148</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001761/image.svg" src="" /></td><td>QMGYCEQXKDMHDB-UHFFFAOYSA-N</td><td></td><td>5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>466.395</td><td>4.91e+00 g/l</td><td>0.80</td><td>-1.98</td><td>InChI=1S/C21H22O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-27,29-30H,1H3</td><td>CC1OC(OC2C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O</td><td>-3.6121828750004235</td><td>7.720757334608036</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001761">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1767"><td></td><td><a href="/entries/PHUB001762">Dihydroquercetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001762</td><td>1767</td><td>304.058302726</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001762/image.svg" src="" /></td><td>CXQWRCVTCMQVQX-YSSOQSIOSA-N</td><td></td><td>(2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one</td><td>304.254</td><td>1.16e+00 g/l</td><td>1.07</td><td>-2.42</td><td>InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14?,15-/m1/s1</td><td>OC1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1</td><td>-4.040608005010741</td><td>7.742827034290162</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001762">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1768"><td></td><td><a href="/entries/PHUB001763">Dihydroquercetin 3-O-rhamnoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001763</td><td>1768</td><td>450.116211528</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001763/image.svg" src="" /></td><td>ZROGCCBNZBKLEL-MPRHSVQHSA-N</td><td></td><td>(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>450.396</td><td>3.64e+00 g/l</td><td>0.79</td><td>-2.09</td><td>InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6121828750004235</td><td>7.741338581479792</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001763">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1769"><td></td><td><a href="/entries/PHUB001764">Glabridin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001764</td><td>1769</td><td>324.136159124</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001764/image.svg" src="" /></td><td>LBQIJVLKGVZRIW-ZDUSSCGKSA-N</td><td>59870-68-7</td><td>4-[(3R)-8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol</td><td>324.376</td><td>9.26e-03 g/l</td><td>3.81</td><td>-4.54</td><td>InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1</td><td>CC1(C)OC2=C(C=C1)C1=C(C[C@@H](CO1)C1=C(O)C=C(O)C=C1)C=C2</td><td>-4.58598679058369</td><td>9.516526753486659</td><td><a href="/food_sources/92">Liquorice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001764">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1770"><td></td><td><a href="/entries/PHUB001765">Glepidotin B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001765</td><td>1770</td><td>340.131073744</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001765/image.svg" src="" /></td><td>ATJOIGKHVRPLSM-UHFFFAOYSA-N</td><td></td><td>3,5,7-trihydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one</td><td>340.375</td><td>7.77e-02 g/l</td><td>2.88</td><td>-3.64</td><td>InChI=1S/C20H20O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,18-19,21-22,24H,9H2,1-2H3</td><td>CC(C)=CCC1=C2OC(C(O)C(=O)C2=C(O)C=C1O)C1=CC=CC=C1</td><td>-4.044057821982277</td><td>7.590153768004449</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001765">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1771"><td></td><td><a href="/entries/PHUB001766">Hispaglabridin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001766</td><td>1771</td><td>392.198759382</td><td>C<sub>25</sub>H<sub>28</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001766/image.svg" src="" /></td><td>HZHXMXSXYQCAIG-KRWDZBQOSA-N</td><td></td><td>4-[(3R)-8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol</td><td>392.495</td><td>1.14e-03 g/l</td><td>5.18</td><td>-5.54</td><td>InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1</td><td>CC(C)=CCC1=C(O)C(=CC=C1O)[C@@H]1COC2=C(C1)C=CC1=C2C=CC(C)(C)O1</td><td>-4.585986949539553</td><td>9.32374068632322</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001766">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1772"><td></td><td><a href="/entries/PHUB001767">Isoliquiritigenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001767</td><td>1772</td><td>256.073558866</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001767/image.svg" src="" /></td><td>DXDRHHKMWQZJHT-FPYGCLRLSA-N</td><td></td><td>(2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one</td><td>256.257</td><td>5.51e-02 g/l</td><td>3.04</td><td>-3.67</td><td>InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+</td><td>[H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)C1=C(O)C=C(O)C=C1</td><td>-6.352946961329955</td><td>7.110975707646942</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001767">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1773"><td></td><td><a href="/entries/PHUB001768">Kievitone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001768</td><td>1773</td><td>356.125988364</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001768/image.svg" src="" /></td><td>MERHMOCEIBOOMA-UHFFFAOYSA-N</td><td></td><td>3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one</td><td>356.374</td><td>2.76e-02 g/l</td><td>2.99</td><td>-4.11</td><td>InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3</td><td>CC(C)=CCC1=C2OCC(C(=O)C2=C(O)C=C1O)C1=C(O)C=C(O)C=C1</td><td>-4.92677189028628</td><td>7.664940285177038</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001768">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1780"><td></td><td><a href="/entries/PHUB001771">4',6,7-Trihydroxyisoflavanone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001771</td><td>1780</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001771/image.svg" src="" /></td><td>GYLUFQJZYAJQDI-UHFFFAOYSA-N</td><td></td><td>6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>270.24</td><td>1.14e-01 g/l</td><td>3.08</td><td>-3.37</td><td>InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H</td><td>OC1=CC=C(C=C1)C1=COC2=C(C=C(O)C(O)=C2)C1=O</td><td>-5.322125573061659</td><td>6.582051557346977</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001771">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1781"><td></td><td><a href="/entries/PHUB001772">3',4',7-Trihydroxyisoflavanone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001772</td><td>1781</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001772/image.svg" src="" /></td><td>DDKGKOOLFLYZDL-UHFFFAOYSA-N</td><td></td><td>3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one</td><td>270.24</td><td>1.06e-01 g/l</td><td>3.05</td><td>-3.41</td><td>InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H</td><td>OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC(O)=C(O)C=C1</td><td>-5.33620244110205</td><td>6.4751111499991385</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001772">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1782"><td></td><td><a href="/entries/PHUB001773">4',7,8-Trihydroxyisoflavanone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001773</td><td>1782</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001773/image.svg" src="" /></td><td>BMZFZTMWBCFKSS-UHFFFAOYSA-N</td><td></td><td>7,8-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>270.24</td><td>1.29e-01 g/l</td><td>3.09</td><td>-3.32</td><td>InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H</td><td>OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2O)C1=O</td><td>-5.390418760554791</td><td>6.7007541937492885</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001773">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1783"><td></td><td><a href="/entries/PHUB001774">Equol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol</td><td>PHUB001774</td><td>1783</td><td>242.094294311</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001774/image.svg" src="" /></td><td>ADFCQWZHKCXPAJ-GFCCVEGCSA-N</td><td></td><td>(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol</td><td>242.274</td><td>4.45e-02 g/l</td><td>2.91</td><td>-3.74</td><td>InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1</td><td>OC1=CC=C(C=C1)[C@H]1COC2=CC(O)=CC=C2C1</td><td>-4.855539683956429</td><td>9.632070985862319</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a> / <a href="/entries/PHUB000223">Daidzin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001774">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1784"><td></td><td><a href="/entries/PHUB001775">3''-Hydroxy-O-desmethylangolensin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001775</td><td>1784</td><td>274.084123551</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001775/image.svg" src="" /></td><td>FTSPBXSUUGOKEQ-UHFFFAOYSA-N</td><td></td><td>1-(2,4-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)propan-1-one</td><td>274.272</td><td>1.47e-01 g/l</td><td>2.52</td><td>-3.27</td><td>InChI=1S/C15H14O5/c1-8(9-2-5-12(17)14(19)6-9)15(20)11-4-3-10(16)7-13(11)18/h2-8,16-19H,1H3</td><td>CC(C(=O)C1=CC=C(O)C=C1O)C1=CC(O)=C(O)C=C1</td><td>-4.912202783228768</td><td>7.825646844865375</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001775">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1786"><td></td><td><a href="/entries/PHUB001777">O-Desmethylangolensin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001777</td><td>1786</td><td>258.089208931</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001777/image.svg" src="" /></td><td>JDJPNKPFDDUBFV-UHFFFAOYSA-N</td><td></td><td>1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one</td><td>258.273</td><td>8.39e-02 g/l</td><td>2.98</td><td>-3.49</td><td>InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3</td><td>CC(C(=O)C1=C(O)C=C(O)C=C1)C1=CC=C(O)C=C1</td><td>-4.912202076859794</td><td>7.832217860074098</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001777">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1787"><td></td><td><a href="/entries/PHUB001778">Angolensin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001778</td><td>1787</td><td>272.104858995</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td></td><td class="structure"><img data-src="/structures/PHUB001778/image.svg" src="" /></td><td>CCOJFDRSZSSKOG-UHFFFAOYSA-N</td><td></td><td>1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one</td><td>272.3</td><td>3.54e-02 g/l</td><td>3.49</td><td>-3.89</td><td>InChI=1S/C16H16O4/c1-10(11-3-6-13(20-2)7-4-11)16(19)14-8-5-12(17)9-15(14)18/h3-10,17-18H,1-2H3</td><td>COC1=CC=C(C=C1)C(C)C(=O)C1=C(O)C=C(O)C=C1</td><td>-4.824206145052337</td><td>7.841766529269605</td><td></td><td><a href="/entries/PHUB001778">Angolensin</a> / <a href="/entries/PHUB000224">Formononetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001778">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1788"><td></td><td><a href="/entries/PHUB001779">6'-Hydroxyangolensin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001779</td><td>1788</td><td>288.099773615</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001779/image.svg" src="" /></td><td>UDALNYNLNYDPMV-UHFFFAOYSA-N</td><td></td><td>2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one</td><td>288.299</td><td>8.21e-02 g/l</td><td>3.21</td><td>-3.55</td><td>InChI=1S/C16H16O5/c1-9(10-3-5-12(21-2)6-4-10)16(20)15-13(18)7-11(17)8-14(15)19/h3-9,17-19H,1-2H3</td><td>COC1=CC=C(C=C1)C(C)C(=O)C1=C(O)C=C(O)C=C1O</td><td>-4.6123264061509</td><td>7.945966471915967</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001779">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1789"><td></td><td><a href="/entries/PHUB001780">(+)-Borneol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001780</td><td>1789</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001780/image.svg" src="" /></td><td>DTGKSKDOIYIVQL-QXFUBDJGSA-N</td><td>464-43-7</td><td></td><td>154.253</td><td></td><td></td><td></td><td>InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3</td><td>CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001780">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1790"><td></td><td><a href="/entries/PHUB001781">3-endo-Hydroxycamphor</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001781</td><td>1790</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-hydroxybornan-2-one</td><td class="structure"><img data-src="/structures/PHUB001781/image.svg" src="" /></td><td>AXMKZEOEXSKFJI-UHFFFAOYSA-N</td><td>10373-81-6</td><td>3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one</td><td>168.236</td><td>7.27e+00 g/l</td><td>1.60</td><td>-1.36</td><td>InChI=1S/C10H16O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7,11H,4-5H2,1-3H3</td><td>CC1(C)C2CCC1(C)C(=O)C2O</td><td>-3.6162359121404637</td><td>13.131147891768489</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001781">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1791"><td></td><td><a href="/entries/PHUB001782">5-endo-Hydroxycamphor</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(5S)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one</td><td>PHUB001782</td><td>1791</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(+)-5-exo-hydroxycamphor; 5-endo-Hydroxycamphor; 5-Exo-Hydroxycamphor; 5-hydroxybornan-2-one</td><td class="structure"><img data-src="/structures/PHUB001782/image.svg" src="" /></td><td>DJQYBVLXBVJHMU-UHFFFAOYSA-N</td><td>13948-58-8</td><td>5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one</td><td>168.236</td><td>1.24e+01 g/l</td><td>1.12</td><td>-1.13</td><td>InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3</td><td>[H]C1(O)CC2(C)C(=O)CC1C2(C)C</td><td>-2.850777884154711</td><td>14.881161111936825</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001782">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1793"><td></td><td><a href="/entries/PHUB001784">2,5-Bornanedione</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>bornane-2,5-dione</td><td>PHUB001784</td><td>1793</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001784/image.svg" src="" /></td><td>UDIUFGIXIGLRSM-UHFFFAOYSA-N</td><td>4230-32-4</td><td>1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione</td><td>166.22</td><td>7.00e+00 g/l</td><td>1.69</td><td>-1.38</td><td>InChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3</td><td>CC1(C)C2CC(=O)C1(C)CC2=O</td><td>-7.173168942556987</td><td>19.055620999466807</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001784">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1794"><td></td><td><a href="/entries/PHUB001785">2,3-Bornanedione</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>bornane-2,3-dione</td><td>PHUB001785</td><td>1794</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Camphorquinone</td><td class="structure"><img data-src="/structures/PHUB001785/image.svg" src="" /></td><td>VNQXSTWCDUXYEZ-UHFFFAOYSA-N</td><td>10373-78-1</td><td>1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione</td><td>166.22</td><td>1.49e+00 g/l</td><td>2.57</td><td>-2.05</td><td>InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3</td><td>CC1(C)C2CCC1(C)C(=O)C2=O</td><td>-8.81404562506879</td><td>19.51802626576448</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001785">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1795"><td></td><td><a href="/entries/PHUB001786">Isoborneol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>bornane-2-ol</td><td>PHUB001786</td><td>1795</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001786/image.svg" src="" /></td><td>DTGKSKDOIYIVQL-UHFFFAOYSA-N</td><td></td><td>1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol</td><td>154.253</td><td>8.05e-01 g/l</td><td>2.83</td><td>-2.28</td><td>InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3</td><td>[H]C1(O)CC2CCC1(C)C2(C)C</td><td>-0.7846502601657299</td><td>19.60482336496175</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001786">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1796"><td></td><td><a href="/entries/PHUB001787">2,3-Dihydroxy-p-cymene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthan-1,3,5-trien-2,3-diol</td><td>PHUB001787</td><td>1796</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Isopropyl-6-methylpyrocatechol</td><td class="structure"><img data-src="/structures/PHUB001787/image.svg" src="" /></td><td>LYUBXLHGANLIMX-UHFFFAOYSA-N</td><td>490-06-2</td><td>3-methyl-6-(propan-2-yl)benzene-1,2-diol</td><td>166.22</td><td>
83.31e+00 g/l</td><td>2.19</td><td>-1.70</td><td>InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,11-12H,1-3H3</td><td>CC(C)C1=CC=C(C)C(O)=C1O</td><td>-6.037620061626644</td><td>9.886502174920727</td><td></td><td><a href="/entries/PHUB000031">Carvacrol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001787">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1797"><td></td><td><a href="/entries/PHUB001788">2-(-3-Hydroxy-4-methylphenyl)propan-2-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthan-1,3,5-trien-2,8-diol</td><td>PHUB001788</td><td>1797</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-cymene-2,7-diol</td><td class="structure"><img data-src="/structures/PHUB001788/image.svg" src="" /></td><td>YZZAPGQHAYCEDP-UHFFFAOYSA-N</td><td>4397-18-6</td><td>5-(2-hydroxypropan-2-yl)-2-methylphenol</td><td>166.22</td><td>7.69e+00 g/l</td><td>1.95</td><td>-1.33</td><td>InChI=1S/C10H14O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6,11-12H,1-3H3</td><td>CC1=CC=C(C=C1O)C(C)(C)O</td><td>-2.9794597950466466</td><td>9.708431195174487</td><td></td><td><a href="/entries/PHUB000031">Carvacrol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001788">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1798"><td></td><td><a href="/entries/PHUB001789">2-(-3-Hydroxy-4-methylphenyl)propan-1-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthan-1,3,5-trien-2,10-diol</td><td>PHUB001789</td><td>1798</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>10-hydroxycarvacrol; 8-Hydroxycymol</td><td class="structure"><img data-src="/structures/PHUB001789/image.svg" src="" /></td><td>VHOPRFFVGRPDLW-UHFFFAOYSA-N</td><td></td><td>5-(1-hydroxypropan-2-yl)-2-methylphenol</td><td>166.22</td><td>4.29e+00 g/l</td><td>1.79</td><td>-1.59</td><td>InChI=1S/C10H14O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3-5,8,11-12H,6H2,1-2H3</td><td>CC(CO)C1=CC=C(C)C(O)=C1</td><td>-2.629425649877879</td><td>10.373819372857572</td><td></td><td><a href="/entries/PHUB000031">Carvacrol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001789">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1799"><td></td><td><a href="/entries/PHUB001790">2-Hydroxymethyl-5-(1-methylethyl)phenol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,3,5-trien-2,7-diol</td><td>PHUB001790</td><td>1799</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001790/image.svg" src="" /></td><td>XAZMRAYQQJAAJE-UHFFFAOYSA-N</td><td></td><td>2-(hydroxymethyl)-5-(propan-2-yl)phenol</td><td>166.22</td><td>2.81e+00 g/l</td><td>2.07</td><td>-1.77</td><td>InChI=1S/C10H14O2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-5,7,11-12H,6H2,1-2H3</td><td>CC(C)C1=CC=C(CO)C(O)=C1</td><td>-2.9063435347935584</td><td>9.994698562106699</td><td></td><td><a href="/entries/PHUB000031">Carvacrol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001790">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1800"><td></td><td><a href="/entries/PHUB001791">2-(3-Hydroxy-4-methylphenyl)propionic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxy-p-menthan-1,3,5-trien-10-oic acid</td><td>PHUB001791</td><td>1800</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001791/image.svg" src="" /></td><td>FLJNIIPLPDDCKB-UHFFFAOYSA-N</td><td></td><td>2-(3-hydroxy-4-methylphenyl)propanoic acid</td><td>180.203</td><td>1.81e+00 g/l</td><td>1.69</td><td>-2.00</td><td>InChI=1S/C10H12O3/c1-6-3-4-8(5-9(6)11)7(2)10(12)13/h3-5,7,11H,1-2H3,(H,12,13)</td><td>CC(C(O)=O)C1=CC=C(C)C(O)=C1</td><td>-5.952663788237331</td><td>4.243485206335493</td><td></td><td><a href="/entries/PHUB000031">Carvacrol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001791">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1801"><td></td><td><a href="/entries/PHUB001792">2-Hydroxymethyl-4-(1-methylethyl)benzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxy-p-mentha-1,3,5-trien-7-oic acid</td><td>PHUB001792</td><td>1801</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001792/image.svg" src="" /></td><td>QHKBRMHTGGMYFC-UHFFFAOYSA-N</td><td>20154-41-0</td><td>2-hydroxy-4-(propan-2-yl)benzoic acid</td><td>180.203</td><td>6.58e-01 g/l</td><td>3.18</td><td>-2.44</td><td>InChI=1S/C10H12O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h3-6,11H,1-2H3,(H,12,13)</td><td>CC(C)C1=CC=C(C(O)=O)C(O)=C1</td><td>-6.289865130752812</td><td>2.9585638002169423</td><td></td><td><a href="/entries/PHUB000031">Carvacrol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001792">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1802"><td></td><td><a href="/entries/PHUB001793">2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthan-1,3,5-trien-2,7,10-triol</td><td>PHUB001793</td><td>1802</td><td>182.094294311</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001793/image.svg" src="" /></td><td>GEEHXFLAKPWXJJ-UHFFFAOYSA-N</td><td></td><td>2-(hydroxymethyl)-5-(1-hydroxypropan-2-yl)phenol</td><td>182.219</td><td></td><td></td><td></td><td>InChI=1S/C10H10O5/c1-5(9(12)13)6-2-3-7(10(14)15)8(11)4-6/h2-5,11H,1H3,(H,12,13)(H,14,15)</td><td>CC(CO)C1=CC(O)=C(CO)C=C1</td><td>-2.6396150388200397</td><td>9.93993670648821</td><td></td><td><a href="/entries/PHUB000031">Carvacrol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001793">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1806"><td></td><td><a href="/entries/PHUB001797">1,4-cineole</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001797</td><td>1806</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001797/image.svg" src="" /></td><td>RFFOTVCVTJUTAD-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane</td><td>154.253</td><td>5.76e-02 g/l</td><td>2.31</td><td>-3.43</td><td>InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3</td><td>CC(C)C12CCC(C)(CC1)O2</td><td>-4.20967657347654</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001797">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1807"><td></td><td><a href="/entries/PHUB001798">3,8-dihydroxy-1,4-cineol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,4-epoxy-p-menthane-3,8-diol</td><td>PHUB001798</td><td>1807</td><td>186.12559444</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001798/image.svg" src="" /></td><td>KWUCVCDZTRQQPX-UHFFFAOYSA-N</td><td></td><td>1-(2-hydroxypropan-2-yl)-4-methyl-7-oxabicyclo[2.2.1]heptan-2-ol</td><td>186.251</td><td>5.78e+01 g/l</td><td>0.52</td><td>-0.51</td><td>InChI=1S/C10H18O3/c1-8(2,12)10-5-4-9(3,13-10)6-7(10)11/h7,11-12H,4-6H2,1-3H3</td><td>CC(C)(O)C12CCC(C)(CC1O)O2</td><td>-3.226407807790413</td><td>13.603509792600324</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001798">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1808"><td></td><td><a href="/entries/PHUB001799">8,9-dihydroxy-1,4-cineol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,4-epoxy-p-menthane-8,9-diol</td><td>PHUB001799</td><td>1808</td><td>186.12559444</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001799/image.svg" src="" /></td><td>VDGWZBHXSPRRBU-UHFFFAOYSA-N</td><td>118215-86-4</td><td>2-{4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl}propane-1,2-diol</td><td>186.251</td><td>3.56e+01 g/l</td><td>0.23</td><td>-0.72</td><td>InChI=1S/C10H18O3/c1-8-3-5-10(13-8,6-4-8)9(2,12)7-11/h11-12H,3-7H2,1-2H3</td><td>CC(O)(CO)C12CCC(C)(CC1)O2</td><td>-3.106989837420883</td><td>13.100387357398626</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001799">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1809"><td></td><td><a href="/entries/PHUB001800">1,4-cineol-8-en-9-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,4-epoxy-p-menth-8-en-9-ol</td><td>PHUB001800</td><td>1809</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001800/image.svg" src="" /></td><td>FFNZDZLFESTRIB-UHFFFAOYSA-N</td><td></td><td>2-{4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl}prop-2-en-1-ol</td><td>168.236</td><td></td><td></td><td></td><td>InChI=1S/C10H16O2/c1-8(7-11)10-5-3-9(2,12-10)4-6-10/h11H,1,3-7H2,2H3</td><td>CC12CCC(CC1)(O2)C(=C)CO</td><td>-2.757769897520957</td><td>15.09380453241665</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001800">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1810"><td></td><td><a href="/entries/PHUB001801">9-hydroxy-1,4-cineol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,4-epoxy-p-menthan-9-ol</td><td>PHUB001801</td><td>1810</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001801/image.svg" src="" /></td><td>NXEIGUMTZKRRMT-UHFFFAOYSA-N</td><td></td><td>2-{4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl}propan-1-ol</td><td>170.252</td><td>2.54e+00 g/l</td><td>1.29</td><td>-1.83</td><td>InChI=1S/C10H18O2/c1-8(7-11)10-5-3-9(2,12-10)4-6-10/h8,11H,3-7H2,1-2H3</td><td>CC(CO)C12CCC(C)(CC1)O2</td><td>-2.6284144966900076</td><td>15.389541617078173</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001801">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1811"><td></td><td><a href="/entries/PHUB001802">1,4-cineol-9-carboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,4-epoxy-p-menth-9-oic acid</td><td>PHUB001802</td><td>1811</td><td>184.109944375</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,4-cineol-9-oic acid</td><td class="structure"><img data-src="/structures/PHUB001802/image.svg" src="" /></td><td>YTDSBNPGHYIQBA-UHFFFAOYSA-N</td><td></td><td>2-{4-methyl-7-oxabicyclo[2.2.1]heptan-1-yl}propanoic acid</td><td>184.235</td><td>6.16e+00 g/l</td><td>1.68</td><td>-1.48</td><td>InChI=1S/C10H16O3/c1-7(8(11)12)10-5-3-9(2,13-10)4-6-10/h7H,3-6H2,1-2H3,(H,11,12)</td><td>CC(C(O)=O)C12CCC(C)(CC1)O2</td><td>-4.213510220394109</td><td>4.53040810903512</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001802">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1812"><td></td><td><a href="/entries/PHUB001803">2-exo-hydroxy-1,4-cineol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,4-epoxy-p-menthan-2-ol</td><td>PHUB001803</td><td>1812</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001803/image.svg" src="" /></td><td>IFQZADDJTDGGCP-UHFFFAOYSA-N</td><td>103834-29-3</td><td>1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol</td><td>170.252</td><td>5.32e+00 g/l</td><td>1.37</td><td>-1.51</td><td>InChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)8(11)6-10/h7-8,11H,4-6H2,1-3H3</td><td>CC(C)C12CCC(C)(O1)C(O)C2</td><td>-3.2765756814541347</td><td>13.907691629048617</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001803">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1813"><td></td><td><a href="/entries/PHUB001804">Geranial</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3,7-dimethylocta-2,6-dienal</td><td>PHUB001804</td><td>1813</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>
8O</td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001804/image.svg" src="" /></td><td>WTEVQBCEXWBHNA-JXMROGBWSA-N</td><td></td><td>(2E)-3,7-dimethylocta-2,6-dienal</td><td>152.237</td><td>4.00e-01 g/l</td><td>3.37</td><td>-2.58</td><td>InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+</td><td>CC(C)=CCC\C(C)=C\C=O</td><td>-4.056096067340819</td><td></td><td><a href="/food_sources/74">Ginseng</a></td><td><a href="/entries/PHUB001805">8-hydroxy-3,7-dimethyl-2,6-octadienal</a> / <a href="/entries/PHUB001806">3,7-dimethyl-2,6-octadienedial</a> / <a href="/entries/PHUB001808">3-hydroxy-3,7-dimethyl-6-octenedioic acid</a> / <a href="/entries/PHUB001809">3,7-dimethyl-6-octenedioic acid</a> / <a href="/entries/PHUB001810">3,8-dihydroxy-3,7-dimethyl-6-octenoic acid</a> / <a href="/entries/PHUB001844">Geranic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001804">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1814"><td></td><td><a href="/entries/PHUB001805">8-hydroxy-3,7-dimethyl-2,6-octadienal</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8-hydroxy-3,7-dimethylocta-2,6-dienal</td><td>PHUB001805</td><td>1814</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001805/image.svg" src="" /></td><td>WTWGQWLNUNSMGM-TXFIJWAUSA-N</td><td></td><td>(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienal</td><td>168.236</td><td>1.48e+00 g/l</td><td>1.79</td><td>-2.06</td><td>InChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-7,12H,3-4,8H2,1-2H3/b9-6+,10-5+</td><td>C\C(CO)=C/CC\C(C)=C\C=O</td><td>-2.0797068163273407</td><td>16.644017338071922</td><td></td><td><a href="/entries/PHUB001804">Geranial</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001805">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1815"><td></td><td><a href="/entries/PHUB001806">3,7-dimethyl-2,6-octadienedial</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2,6-dimethyl-octa-2,6-diene-1,8-dial </td><td>PHUB001806</td><td>1815</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001806/image.svg" src="" /></td><td>GRHWFPUCRVCMRY-TXFIJWAUSA-N</td><td></td><td>(2E,6E)-2,6-dimethylocta-2,6-dienedial</td><td>166.22</td><td>5.17e-01 g/l</td><td>2.22</td><td>-2.51</td><td>InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+</td><td>C\C(CC\C=C(/C)C=O)=C/C=O</td><td>-3.809786723788985</td><td></td><td></td><td><a href="/entries/PHUB001804">Geranial</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001806">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1817"><td></td><td><a href="/entries/PHUB001808">3-hydroxy-3,7-dimethyl-6-octenedioic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>6-hydroxy-2,6-dimethyloct-2-ene-1,8-dioic acid</td><td>PHUB001808</td><td>1817</td><td>216.099773615</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001808/image.svg" src="" /></td><td>RVEOVEAQOKTDAX-QPJJXVBHSA-N</td><td></td><td>(2E)-6-hydroxy-2,6-dimethyloct-2-enedioic acid</td><td>216.233</td><td>3.81e+00 g/l</td><td>0.60</td><td>-1.75</td><td>InChI=1S/C10H16O5/c1-7(9(13)14)4-3-5-10(2,15)6-8(11)12/h4,15H,3,5-6H2,1-2H3,(H,11,12)(H,13,14)/b7-4+</td><td>C\C(=C/CCC(C)(O)CC(O)=O)C(O)=O</td><td>-2.8945876650897002</td><td>4.004584964837534</td><td></td><td><a href="/entries/PHUB001804">Geranial</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001808">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1818"><td></td><td><a href="/entries/PHUB001809">3,7-dimethyl-6-octenedioic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2,6-dimethyloct-6-ene-1,8-dioic acid </td><td>PHUB001809</td><td>1818</td><td>200.104858995</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001809/image.svg" src="" /></td><td>KWIQWVWDQRSGSQ-VMPITWQZSA-N</td><td></td><td>(2E)-2,6-dimethyloct-2-enedioic acid</td><td>200.234</td><td>9.81e-01 g/l</td><td>1.68</td><td>-2.31</td><td>InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h5,7H,3-4,6H2,1-2H3,(H,11,12)(H,13,14)/b8-5+</td><td>CC(CC\C=C(/C)C(O)=O)CC(O)=O</td><td></td><td>4.195046373749182</td><td></td><td><a href="/entries/PHUB001804">Geranial</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001809">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1819"><td></td><td><a href="/entries/PHUB001810">3,8-dihydroxy-3,7-dimethyl-6-octenoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,8-dihydroxy-3,7-dimethyloct-6-enoic acid </td><td>PHUB001810</td><td>1819</td><td>202.12050906</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>4</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001810/image.svg" src="" /></td><td>XBOMFRFUZPLPIE-YWEYNIOJSA-N</td><td></td><td>(6Z)-3,8-dihydroxy-3,7-dimethyloct-6-enoic acid</td><td>202.25</td><td>4.88e+00 g/l</td><td>0.24</td><td>-1.62</td><td>InChI=1S/C10H18O4/c1-8(7-11)4-3-5-10(2,14)6-9(12)13/h4,11,14H,3,5-7H2,1-2H3,(H,12,13)/b8-4-</td><td>C\C(CO)=C\CCC(C)(O)CC(O)=O</td><td>-2.0797042756535324</td><td>4.663181395713434</td><td></td><td><a href="/entries/PHUB001804">Geranial</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001810">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1820"><td></td><td><a href="/entries/PHUB001811">Isopulegol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-8-en-3-ol</td><td>PHUB001811</td><td>1820</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001811/image.svg" src="" /></td><td>ZYTMANIQRDEHIO-UHFFFAOYSA-N</td><td>89-79-2</td><td>5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-ol</td><td>154.253</td><td>1.28e+00 g/l</td><td>2.69</td><td>-2.08</td><td>InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3</td><td>CC1CCC(C(O)C1)C(C)=C</td><td>-0.845661434910129</td><td>19.465337368746848</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001811">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1821"><td></td><td><a href="/entries/PHUB001812">(6E)-3,7-dimethyl-6-octene-1,8-dioic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,7-dimethyloct-6-ene-1,8-dioic acid </td><td>PHUB001812</td><td>1821</td><td>200.104858995</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001812/image.svg" src="" /></td><td>KWIQWVWDQRSGSQ-VMPITWQZSA-N</td><td></td><td>(2E)-2,6-dimethyloct-2-enedioic acid</td><td>200.234</td><td>9.81e-01 g/l</td><td>1.68</td><td>-2.31</td><td>InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h5,7H,3-4,6H2,1-2H3,(H,11,12)(H,13,14)/b8-5+</td><td>CC(CC\C=C(/C)C(O)=O)CC(O)=O</td><td></td><td>4.195046373749182</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001812">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1822"><td></td><td><a href="/entries/PHUB001813">(+)-fenchone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001813</td><td>1822</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001813/image.svg" src="" /></td><td>LHXDLQBQYFFVNW-UHFFFAOYSA-N</td><td></td><td>1,3,3-trimethylbicyclo[2.2.1]heptan-2-one</td><td>152.237</td><td>8.83e-01 g/l</td><td>2.54</td><td>-2.24</td><td>InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3</td><td>CC1(C)C2CCC(C)(C2)C1=O</td><td>-7.5937409427587745</td><td></td><td></td><td><a href="/entries/PHUB001814">6-endo-hydroxyfenchone</a> / <a href="/entries/PHUB001815">6-exo-hydroxyfenchone</a> / <a href="/entries/PHUB001816">10-hydroxyfenchone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001813">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1823"><td></td><td><a href="/entries/PHUB001814">6-endo-hydroxyfenchone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(1S,4R,6R)-6-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one</td><td>PHUB001814</td><td>1823</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6-hydroxy-3,3-dimethylnorbornan-2-one</td><td class="structure"><img data-src="/structures/PHUB001814/image.svg" src="" /></td><td>RBJVDSYEMJHFOC-UHFFFAOYSA-N</td><td>851210-94-1</td><td>6-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one</td><td>168.236</td><td>9.79e+00 g/l</td><td>1.07</td><td>-1.24</td><td>InChI=1S/C10H16O2/c1-9(2)6-4-7(11)10(3,5-6)8(9)12/h6-7,11H,4-5H2,1-3H3</td><td>CC1(C)C2CC(O)C(C)(C2)C1=O</td><td>-3.0035659112217132</td><td>14.53185662729375</td><td></td><td><a href="/entries/PHUB001813">(+)-fenchone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001814">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1824"><td></td><td><a href="/entries/PHUB001815">6-exo-hydroxyfenchone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(1S,4R,6S)-6-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one</td><td>PHUB001815</td><td>1824</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6-hydroxy-3,3-dimethylnorbornan-2-one</td><td class="structure"><img data-src="/structures/PHUB001815/image.svg" src="" /></td><td>RBJVDSYEMJHFOC-BYULHYEWSA-N</td><td>851210-93-0</td><td>(1S,4R,6S)-6-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one</td><td>168.236</td><td>9.79e+00 g/l</td><td>1.07</td><td>-1.24</td><td>InChI=1S/C10H16O2/c1-9(2)6-4-7(11)10(3,5-6)8(9)12/h6-7,11H,4-5H2,1-3H3/t6-,7-,10-/m0/s1</td><td>[H][C@]1(O)C[C@@]2([H])C[C@]1(C)C(=O)C2(C)C</td><td>-3.0035659112217132</td><td>14.53185662729375</td><td></td><td><a href="/entries/PHUB001813">(+)-fenchone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001815">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1825"><td></td><td><a href="/entries/PHUB001816">10-hydroxyfenchone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001816</td><td>1825</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>8-hydroxy-3,3-dimethylnorbornan-2-one</td><td class="structure"><img data-src="/structures/PHUB001816/image.svg" src="" /></td><td>DXBZHTQWANLTPY-UHFFFAOYSA-N</td><td></td><td>1-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one</td><td>168.236</td><td>5.63e+00 g/l</td><td>1.07</td><td>-1.48</td><td>InChI=1S/C10H16O2/c1-9(2)7-3-4-10(5-7,6-11)8(9)12/h7,11H,3-6H2,1-2H3</td><td>CC1(C)C2CCC(CO)(C2)C1=O</td><td>-2.8187468158223625</td><td>14.954396854544209</td><td></td><td><a href="/entries/PHUB001813">(+)-fenchone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001816">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1826"><td></td><td><a href="/entries/PHUB001817">8-carboxygeraniol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8-hydroxy-2,6-dimethylocta-2,6-dienoic acid </td><td>PHUB001817</td><td>1826</td><td>184.109944375</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001817/image.svg" src="" /></td><td>SMFMBDDFGPDMMD-RFSWUZDDSA-N</td><td></td><td>(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid</td><td>184.235</td><td>1.87e+00 g/l</td><td>1.74</td><td>-1.99</td><td>InChI=1S/C10H16O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5-6,11H,3-4,7H2,1-2H3,(H,12,13)/b8-6+,9-5+</td><td>C\C(CC\C=C(/C)C(O)=O)=C/CO</td><td>-2.217047406800316</td><td>4.7422511264394025</td><td></td><td><a href="/entries/PHUB000044">Geraniol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001817">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1827"><td></td><td><a href="/entries/PHUB001818">Hildebrandt acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2,6-dimethylocta-2,6-dien-1,8-dioic acid</td><td>PHUB001818</td><td>1827</td><td>198.089208931</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,7-Dimethyl-2,6-octadien-1,8-dioic acid</td><td class="structure"><img data-src="/structures/PHUB001818/image.svg" src="" /></td><td>IUBQEOXMIZDLSO-ZCOYIIAOSA-N</td><td></td><td>(2E,6E)-2,6-dimethylocta-2,6-dienedioic acid</td><td>198.218</td><td>7.91e-01 g/l</td><td>1.59</td><td>-2.40</td><td>InChI=1S/C10H14O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/b7-6+,8-5+</td><td>C\C(CC\C=C(/C)C(O)=O)=C/C(O)=O</td><td></td><td>4.102835140684959</td><td></td><td><a href="/entries/PHUB000044">Geraniol</a> / <a href="/entries/PHUB000121">Farnesol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001818">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1828"><td></td><td><a href="/entries/PHUB001819">3-hydroxycitronelic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-3,7-dimethyl-oct-6-enoic acid</td><td>PHUB001819</td><td>1828</td><td>186.12559444</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>3</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001819/image.svg" src="" /></td><td>BGEHAKLYDDCRJH-UHFFFAOYSA-N</td><td></td><td>3-hydroxy-3,7-dimethyloct-6-enoic acid</td><td>186.251</td><td>4.60e+00 g/l</td><td>1.33</td><td>-1.61</td><td>InChI=1S/C10H18O3/c1-8(2)5-4-6-10(3,13)7-9(11)12/h5,13H,4,6-7H2,1-3H3,(H,11,12)</td><td>CC(C)=CCCC(C)(O)CC(O)=O</td><td>-2.8945789827321233</td><td>4.884770881781003</td><td></td><td><a href="/entries/PHUB000044">Geraniol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001819">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1829"><td></td><td><a href="/entries/PHUB001820">linalool-glucuronic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,7-dimethylocta-1,6-dien-3-glucuronide</td><td>PHUB001820</td><td>1829</td><td>330.167853177</td><td>C<sub>16</sub>H<sub>26</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>linalool-glucuronide</td><td class="structure"><img data-src="/structures/PHUB001820/image.svg" src="" /></td><td>GAROMEADKXWYDS-USUCQAKCSA-N</td><td></td><td>(2S,3S,4S,5R,6R)-4-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]-3,5,6-trihydroxyoxane-2-carboxylic acid</td><td>330.377</td><td>6.92e+00 g/l</td><td>0.74</td><td>-1.68</td><td>InChI=1S/C16H26O7/c1-5-16(4,8-6-7-9(2)3)23-12-10(17)13(14(19)20)22-15(21)11(12)18/h5,7,10-13,15,17-18,21H,1,6,8H2,2-4H3,(H,19,20)/t10-,11+,12-,13-,15+,16?/m0/s1</td><td>CC(C)=CCCC(C)(O[C@@H]1[C@@H](O)[C@H](O)O[C@@H]([C@H]1O)C(O)=O)C=C</td><td>-3.737151280885626</td><td>3.7253862385284946</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001820">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1830"><td></td><td><a href="/entries/PHUB001821">dihydrolinalool</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,7-dimethylocta-6-en-3-ol</td><td>PHUB001821</td><td>1830</td><td>156.151415264</td><td>C<sub>10</sub>H<sub>20</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001821/image.svg" src="" /></td><td>JRTBBCBDKSRRCY-UHFFFAOYSA-N</td><td>18479-51-1</td><td>3,7-dimethyloct-6-en-3-ol</td><td>156.269</td><td>1.33e+00 g/l</td><td>3.14</td><td>-2.07</td><td>InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h7,11H,5-6,8H2,1-4H3</td><td>CCC(C)(O)CCC=C(C)C</td><td>-0.9564412895869588</td><td>19.212068382288617</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001821">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1831"><td></td><td><a href="/entries/PHUB001822">tetrahydrolinalool</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,7-dimethyloctan-3-ol</td><td>PHUB001822</td><td>1831</td><td>158.167065328</td><td>C<sub>10</sub>H<sub>22</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001822/image.svg" src="" /></td><td>DLHQZZUEERVIGQ-UHFFFAOYSA-N</td><td>78-69-3</td><td>3,7-dimethyloctan-3-ol</td><td>158.285</td><td>3.51e-01 g/l</td><td>3.85</td><td>-2.65</td><td>InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3</td><td>CCC(C)(O)CCCC(C)C</td><td>-1.0080044034675524</td><td>19.094182891020683</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001822">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1832"><td></td><td><a href="/entries/PHUB001823">8-carboxylinalool</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>6-hydroxy-2,6-dimethylocta-2-enoic acid </td><td>PHUB001823</td><td>1832</td><td>184.109944375</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001823/image.svg" src="" /></td><td>SSKWMOQUUQAJGV-SOFGYWHQSA-N</td><td></td><td>(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoic acid</td><td>184.235</td><td>3.25e+00 g/l</td><td>1.63</td><td>-1.75</td><td>InChI=1S/C10H16O3/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H,11,12)/b8-6+</td><td>C\C(=C/CCC(C)(O)C=C)C(O)=O</td><td>-1.285667256179057</td><td>4.746520480504653</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001823">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1833"><td></td><td><a href="/entries/PHUB001824">Verbenol (cis-)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Z-pin-2,3-ene-4-ol</td><td>PHUB001824</td><td>1833</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001824/image.svg" src="" /></td><td>NKUWZAYVBOPIIR-UHFFFAOYSA-N</td><td>13040-03-4</td><td>(2S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol</td><td>152.237</td><td></td><td></td><td></td><td>InChI=1S/C11H20/c1-7-5-8(2)10-6-9(7)11(10,3)4/h7-10H,5-6H2,1-4H3</td><td>CC1=C[C@H](O)C2CC1C2(C)C</td><td>-1.229259008687073</td><td>18.58834245842004</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001824">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1834"><td></td><td><a href="/entries/PHUB001825">2,5-dihydroxy-p-cymene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthan-1,3,5-trien-2,5-diol</td><td>PHUB001825</td><td>1834</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Thymoquinol</td><td class="structure"><img data-src="/structures/PHUB001825/image.svg" src="" /></td><td>OQIOHYHRGZNZCW-UHFFFAOYSA-N</td><td>2217-60-9</td><td>2-methyl-5-(propan-2-yl)benzene-1,4-diol</td><td>166.22</td><td>4.84e+00 g/l</td><td>2.20</td><td>-1.54</td><td>InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3</td><td>CC(C)C1=C(O)C=C(C)C(O)=C1</td><td>-5.641401006323232</td><td>10.183236086967778</td><td></td><td><a href="/entries/PHUB000096">Thymol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001825">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1835"><td></td><td><a href="/entries/PHUB001826">2-(2-hydroxy-4-methylphenyl)propan-1-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthan-1,3,5-trien-3,10-diol</td><td>PHUB001826</td><td>1835</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>9-Hydroxythymol; p-cymene-3,9-diol</td><td class="structure"><img data-src="/structures/PHUB001826/image.svg" src="" /></td><td>CLJPRXFHCRIUKW-UHFFFAOYSA-N</td><td></td><td>2-(1-hydroxypropan-2-yl)-5-methylphenol</td><td>166.22</td><td>4.85e+00 g/l</td><td>1.78</td><td>-1.54</td><td>InChI=1S/C10H14O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h3-5,8,11-12H,6H2,1-2H3</td><td>CC(CO)C1=CC=C(C)C=C1O</td><td>-2.651489905765141</td><td>10.455563141702939</td><td></td><td><a href="/entries/PHUB000096">Thymol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001826">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1836"><td></td><td><a href="/entries/PHUB001827">5-hydroxymethyl-2-(1-methylethyl)phenol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,3,5-trien-3,7-diol</td><td>PHUB001827</td><td>1836</td><td>166.099379691</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001827/image.svg" src="" /></td><td>UNNQYEJIPIBHFS-UHFFFAOYSA-N</td><td>77311-68-3</td><td>5-(hydroxymethyl)-2-(propan-2-yl)phenol</td><td>166.22</td><td>3.37e+00 g/l</td><td>2.01</td><td>-1.69</td><td>InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h3-5,7,11-12H,6H2,1-2H3</td><td>CC(C)C1=C(O)C=C(CO)C=C1</td><td>-2.8042763341605523</td><td>9.855097665582642</td><td></td><td><a href="/entries/PHUB000096">Thymol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001827">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1837"><td></td><td><a href="/entries/PHUB001828">3-hydroxy-4-(1-methylethyl)benzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-p-mentha-1,3,5-trien-7-oic acid</td><td>PHUB001828</td><td>1837</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Hydroxy-4-isopropylbenzoic acid</td><td class="structure"><img data-src="/structures/PHUB001828/image.svg" src="" /></td><td>GBNCQQKBWZJIGX-UHFFFAOYSA-N</td><td>19420-59-8</td><td>3-hydroxy-4-(propan-2-yl)benzoic acid</td><td>180.203</td><td>8.69e-01 g/l</td><td>2.58</td><td>-2.32</td><td>InChI=1S/C10H12O3/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6,11H,1-2H3,(H,12,13)</td><td>CC(C)C1=CC=C(C=C1O)C(O)=O</td><td>-5.7602799448754265</td><td>4.033829342914916</td><td></td><td><a href="/entries/PHUB000096">Thymol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001828">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1838"><td></td><td><a href="/entries/PHUB001829">2-(4-hydroxymethyl-2-hydroxyphenyl)propan-1-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menthan-1,3,5-trien-3,7,10-triol</td><td>PHUB001829</td><td>1838</td><td>182.094294311</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001829/image.svg" src="" /></td><td>QOHXGIFTUIWUKS-UHFFFAOYSA-N</td><td></td><td>5-(hydroxymethyl)-2-(1-hydroxypropan-2-yl)phenol</td><td>182.219</td><td>4.37e+00 g/l</td><td>0.58</td><td>-1.62</td><td>InChI=1S/C10H14O3/c1-7(5-11)9-3-2-8(6-12)4-10(9)13/h2-4,7,11-13H,5-6H2,1H3</td><td>CC(CO)C1=CC=C(CO)C=C1O</td><td>-2.6609304192661005</td><td>9.718017994415339</td><td></td><td><a href="/entries/PHUB000096">Thymol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001829">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1839"><td></td><td><a href="/entries/PHUB001830">2-(2-hydroxy-4-methylphenyl)propionic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-p-menthan-1,3,5-trien-10-oic acid</td><td>PHUB001830</td><td>1839</td><td>180.078644246</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001830/image.svg" src="" /></td><td>OFFRVASYEAWIFS-UHFFFAOYSA-N</td><td></td><td>2-(2-hydroxy-4-methylphenyl)propanoic acid</td><td>180.203</td><td>2.29e+00 g/l</td><td>1.74</td><td>-1.90</td><td>InChI=1S/C10H12O3/c1-6-3-4-8(9(11)5-6)7(2)10(12)13/h3-5,7,11H,1-2H3,(H,12,13)</td><td>CC(C(O)=O)C1=CC=C(C)C=C1O</td><td>-6.023327407229459</td><td>4.233106834134005</td><td></td><td><a href="/entries/PHUB000096">Thymol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001830">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1840"><td></td><td><a href="/entries/PHUB001831">(-)-caryophyllene-5,6-oxide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001831</td><td>1840</td><td>206.167065328</td><td>C<sub>14</sub>H<sub>22</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001831/image.svg" src="" /></td><td>NQJVTGDTHKEOMZ-OKZRHMCRSA-N</td><td></td><td>(1R,10S)-12,12-dimethyl-9-methylidene-4-oxatricyclo[8.2.0.0^{3,5}]dodecane</td><td>206.329</td><td>2.02e-02 g/l</td><td>3.05</td><td>-4.01</td><td>InChI=1S/C14H22O/c1-9-5-4-6-12-13(15-12)7-11-10(9)8-14(11,2)3/h10-13H,1,4-8H2,2-3H3/t10-,11-,12?,13?/m1/s1</td><td>
8CC1(C)C[C@H]2[C@H]1CC1OC1CCCC2=C</td><td>-4.2026408802717174</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001831">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1841"><td></td><td><a href="/entries/PHUB001832">(-)-caryophyllene-5,6-oxide-2,12-diol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001832</td><td>1841</td><td>240.172544633</td><td>C<sub>14</sub>H<sub>24</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001832/image.svg" src="" /></td><td>LVKFBAVJVWAIRV-YEZRFSPISA-N</td><td></td><td>(1R,10S)-9-(hydroxymethyl)-12,12-dimethyl-4-oxatricyclo[8.2.0.0^{3,5}]dodecan-9-ol</td><td>240.343</td><td>1.37e+00 g/l</td><td>1.40</td><td>-2.24</td><td>InChI=1S/C14H24O3/c1-13(2)7-10-9(13)6-12-11(17-12)4-3-5-14(10,16)8-15/h9-12,15-16H,3-8H2,1-2H3/t9-,10+,11?,12?,14?/m1/s1</td><td>
8CC1(C)C[C@H]2[C@H]1CC1OC1CCCC2(O)CO</td><td>-3.0755447624480956</td><td>13.69240939613479</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001832">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1842"><td></td><td><a href="/entries/PHUB001833">5-(3â,4â,5â-trihydroxyphenyl)-gamma-valerolactone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3',4',5'-Trihydroxyphenyl)-γ-valerolactone</td><td>PHUB001833</td><td>1842</td><td>224.068473486</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001833/image.svg" src="" /></td><td>CZVAQLJEUUFQCH-UHFFFAOYSA-N</td><td></td><td>5-[(3,4,5-trihydroxyphenyl)methyl]oxolan-2-one</td><td>224.212</td><td>1.94e+00 g/l</td><td>1.18</td><td>-2.06</td><td>InChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2</td><td>OC1=CC(CC2CCC(=O)O2)=CC(O)=C1O</td><td>-6.002982729000777</td><td>8.887604081092672</td><td></td><td><a href="/entries/PHUB000265">(-)-Epigallocatechin 3-O-gallate</a> / <a href="/entries/PHUB000264">(-)-Epigallocatechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001833">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1843"><td></td><td><a href="/entries/PHUB001834">5-(4â-hydroxyphenyl)-gamma-valerolactone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(4â²-Hydroxyphenyl)-γ-valerolactone</td><td>PHUB001834</td><td>1843</td><td>192.078644246</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001834/image.svg" src="" /></td><td>OXASBXALVLRTKO-UHFFFAOYSA-N</td><td></td><td>5-[(4-hydroxyphenyl)methyl]oxolan-2-one</td><td>192.214</td><td>9.65e-01 g/l</td><td>1.79</td><td>-2.30</td><td>InChI=1S/C11H12O3/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-4,10,12H,5-7H2</td><td>OC1=CC=C(CC2CCC(=O)O2)C=C1</td><td>-5.958343887639902</td><td>9.503501668075458</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB000261">(+)-Catechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001834">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1844"><td></td><td><a href="/entries/PHUB001835">4'-Hydroxyphenylvaleric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001835</td><td>1844</td><td>194.094294311</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001835/image.svg" src="" /></td><td>YSSJQFONKASLKM-UHFFFAOYSA-N</td><td></td><td>5-(4-hydroxyphenyl)pentanoic acid</td><td>194.23</td><td>4.33e-01 g/l</td><td>2.00</td><td>-2.65</td><td>InChI=1S/C11H14O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8,12H,1-4H2,(H,13,14)</td><td>OC(=O)CCCCC1=CC=C(O)C=C1</td><td>-5.4407907499955925</td><td>4.389895902988304</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001835">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1845"><td></td><td><a href="/entries/PHUB001836">3â,4â,5â-Trihydroxyphenylvaleric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001836</td><td>1845</td><td>226.084123551</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>5-(3,4,5-trihydroxyphenyl)valeric acid; 5-(3',4',5'-trihydroxyphenyl)valeric acid</td><td class="structure"><img data-src="/structures/PHUB001836/image.svg" src="" /></td><td>MASHJJSDLKLZLA-UHFFFAOYSA-N</td><td></td><td>5-(3,4,5-trihydroxyphenyl)pentanoic acid</td><td>226.228</td><td>8.62e-01 g/l</td><td>1.49</td><td>-2.42</td><td>InChI=1S/C11H14O5/c12-8-5-7(6-9(13)11(8)16)3-1-2-4-10(14)15/h5-6,12-13,16H,1-4H2,(H,14,15)</td><td>OC(=O)CCCCC1=CC(O)=C(O)C(O)=C1</td><td>-5.99711430726334</td><td>3.7728375276477473</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001836">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1846"><td></td><td><a href="/entries/PHUB001837">Tryptophan</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001837</td><td>1846</td><td>204.089877634</td><td>C<sub>11</sub>H<sub>12</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Amino acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001837/image.svg" src="" /></td><td>QIVBCDIJIAJPQS-UHFFFAOYSA-N</td><td></td><td>2-amino-3-(1H-indol-3-yl)propanoic acid</td><td>204.229</td><td>1.36e+00 g/l</td><td>-1.10</td><td>-2.18</td><td>InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)</td><td>NC(CC1=CNC2=C1C=CC=C2)C(O)=O</td><td>9.396082567807317</td><td>2.5439286383469852</td><td><a href="/food_sources/9">Asparagus</a> / <a href="/food_sources/10">Avocado</a> / <a href="/food_sources/12">Banana</a> / <a href="/food_sources/115">Bell pepper (Capsicum annuum, mild varieties)</a> / <a href="/food_sources/354">Bitter melon</a> / <a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/32">Cherry tomato</a> / <a href="/food_sources/73">Ginger</a> / <a href="/food_sources/352">Grape green</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/351">Mikan</a> / <a href="/food_sources/353">Okra</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/109">Peach</a> / <a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/122">Potato</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/355">Spring onion</a> / <a href="/food_sources/142">Strawberry</a> / <a href="/food_sources/71">Tomato</a> / <a href="/food_sources/154">Watermelon</a></td><td><a href="/entries/PHUB002341">Xanthurenic acid</a> / <a href="/entries/PHUB002961">Indole-3-aldehyde</a> / <a href="/entries/PHUB002962">Indole-3-lactic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001837">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1847"><td></td><td><a href="/entries/PHUB001838">4-pentenyl isothiocyanate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001838</td><td>1847</td><td>127.045570468</td><td>C<sub>6</sub>H<sub>9</sub>NS</td><td>N-containing compounds</td><td>Isothiocyanates</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Pentenyl-ITC</td><td class="structure"><img data-src="/structures/PHUB001838/image.svg" src="" /></td><td>DBISBKDNOKIADM-UHFFFAOYSA-N</td><td></td><td>5-isothiocyanatopent-1-ene</td><td>127.21</td><td>7.70e-02 g/l</td><td>2.98</td><td>-3.22</td><td>InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2</td><td>C=CCCCN=C=S</td><td>1.6145709809065687</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001838">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1848"><td></td><td><a href="/entries/PHUB001839">Methyl isothiocyanate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001839</td><td>1848</td><td>72.998620275</td><td>C<sub>2</sub>H<sub>3</sub>NS</td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Methyl-ITC</td><td class="structure"><img data-src="/structures/PHUB001839/image.svg" src="" /></td><td>LGDSHSYDSCRFAB-UHFFFAOYSA-N</td><td></td><td>isothiocyanatomethane</td><td>73.11</td><td>3.21e+00 g/l</td><td>1.07</td><td>-1.36</td><td>InChI=1S/C2H3NS/c1-3-2-4/h1H3</td><td>CN=C=S</td><td>1.474214798273661</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001839">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1849"><td></td><td><a href="/entries/PHUB001840">1,8-cineole</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>1,8-epoxy-p-menthane</td><td>PHUB001840</td><td>1849</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,8-Cineol; Cajeputol; Eucalyptol</td><td class="structure"><img data-src="/structures/PHUB001840/image.svg" src="" /></td><td>WEEGYLXZBRQIMU-WAAGHKOSSA-N</td><td></td><td>(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane</td><td>154.253</td><td>2.25e-02 g/l</td><td>3.36</td><td>-3.84</td><td>InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+</td><td>C[C@@]12CC[C@@H](CC1)C(C)(C)O2</td><td>-4.205900916339655</td><td></td><td></td><td><a href="/entries/PHUB001841">2-hydroxy-1,8-cineole</a> / <a href="/entries/PHUB001842">3-hydroxy-1,8-cineole</a> / <a href="/entries/PHUB001843">9-hydroxy-1,8-cineole</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001840">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1850"><td></td><td><a href="/entries/PHUB001841">2-hydroxy-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxy-1,8-epoxy-p-menthane</td><td>PHUB001841</td><td>1850</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001841/image.svg" src="" /></td><td>YVCUGZBVCHODNB-UHFFFAOYSA-N</td><td>60761-00-4</td><td>1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol</td><td>170.252</td><td>5.09e+00 g/l</td><td>1.83</td><td>-1.52</td><td>InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3</td><td>CC1(C)OC2(C)CCC1CC2O</td><td>-3.241467659936364</td><td>13.987956881718418</td><td></td><td><a href="/entries/PHUB001840">1,8-cineole</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001841">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1851"><td></td><td><a href="/entries/PHUB001842">3-hydroxy-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-1,8-epoxy-p-menthane</td><td>PHUB001842</td><td>1851</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001842/image.svg" src="" /></td><td>WHIKIYRWRMRQNK-UHFFFAOYSA-N</td><td></td><td>1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol</td><td>170.252</td><td>5.41e+00 g/l</td><td>1.37</td><td>-1.50</td><td>InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3</td><td>CC12CCC(C(O)C1)C(C)(C)O2</td><td>-2.9003073681053992</td><td>14.767930114070873</td><td></td><td><a href="/entries/PHUB001840">1,8-cineole</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001842">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1852"><td></td><td><a href="/entries/PHUB001843">9-hydroxy-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>9-hydroxy-1,8-epoxy-p-menthane</td><td>PHUB001843</td><td>1852</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001843/image.svg" src="" /></td><td>HTGSXANWVMWFEM-UHFFFAOYSA-N</td><td></td><td>{1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl}methanol</td><td>170.252</td><td>2.47e+00 g/l</td><td>1.43</td><td>-1.84</td><td>InChI=1S/C10H18O2/c1-9-5-3-8(4-6-9)10(2,7-11)12-9/h8,11H,3-7H2,1-2H3</td><td>CC1(CO)OC2(C)CCC1CC2</td><td>-3.0761976928754207</td><td>14.365803171295331</td><td></td><td><a href="/entries/PHUB001840">1,8-cineole</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001843">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1853"><td></td><td><a href="/entries/PHUB001844">Geranic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,7-dimethylocta-2,6-dienoic acid</td><td>PHUB001844</td><td>1853</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,8-dimethyl-2,6-octadienedioic acid</td><td class="structure"><img data-src="/structures/PHUB001844/image.svg" src="" /></td><td>ZHYZQXUYZJNEHD-VQHVLOKHSA-N</td><td>459-80-3, 4698-08-2</td><td>(2E)-3,7-dimethylocta-2,6-dienoic acid</td><td>168.236</td><td>1.22e+00 g/l</td><td>2.72</td><td>-2.14</td><td>InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+</td><td>CC(C)=CCC\C(C)=C\C(O)=O</td><td></td><td>5.057430681599353</td><td></td><td><a href="/entries/PHUB000044">Geraniol</a> / <a href="/entries/PHUB001804">Geranial</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001844">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1854"><td></td><td><a href="/entries/PHUB001845">8-hydroxygeraniol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2,6-dimethylocta-2,6-dien-1,8-diol</td><td>PHUB001845</td><td>1854</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001845/image.svg" src="" /></td><td>PREUOUJFXMCMSJ-TXFIJWAUSA-N</td><td></td><td>(2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol</td><td>170.252</td><td>3.04e+00 g/l</td><td>1.62</td><td>-1.75</td><td>InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+</td><td>C\C(CO)=C/CC\C(C)=C\CO</td><td>-2.0797068162582972</td><td>16.15821115210554</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001845">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1855"><td></td><td><a href="/entries/PHUB001846">Limonene-1,2-epoxide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,2-epoxy-p-menth-8-ene</td><td>PHUB001846</td><td>1855</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001846/image.svg" src="" /></td><td>CCEFMUBVSUDRLG-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane</td><td>152.237</td><td>3.51e-01 g/l</td><td>2.81</td><td>-2.64</td><td>InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3</td><td>CC(=C)C1CCC2(C)OC2C1</td><td>-4.224524158920892</td><td></td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001846">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1857"><td></td><td><a href="/entries/PHUB001848">Limonene-8,9-epoxide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8,9-epoxy-p-meth-1-ene</td><td>PHUB001848</td><td>1857</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoids</td><td>Monoterpenoids</td><td>acyclic</td><td></td><td class="structure"><img data-src="/structures/PHUB001848/image.svg" src="" /></td><td>PJGRMBOWSWHGDV-UHFFFAOYNA-N</td><td>184488-93-5</td><td>2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane</td><td>152.237</td><td>3.66e-01 g/l</td><td>2.62</td><td>-2.62</td><td>InChI=1/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3</td><td>CC1=CCC(CC1)C1(C)CO1</td><td>-4.202588274651706</td><td></td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001848">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1858"><td></td><td><a href="/entries/PHUB001849">S-allylcysteine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001849</td><td>1858</td><td>161.051049772</td><td>C<sub>6</sub>H<sub>11</sub>NO<sub>2</sub>S</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>L-deoxyalliin; S-2-propenyl-L-cysteine; S-prop-2-en-1-yl-L-cysteine; SAC</td><td class="structure"><img data-src="/structures/PHUB001849/image.svg" src="" /></td><td>ZFAHNWWNDFHPOH-YFKPBYRVSA-N</td><td>21593-77-1</td><td>(2R)-2-amino-3-(prop-2-en-1-ylsulfanyl)propanoic acid</td><td>161.22</td><td>1.37e+01 g/l</td><td>-1.81</td><td>-1.07</td><td>InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1</td><td>N[C@@H](CSCC=C)C(O)=O</td><td>9.137281602027453</td><td>2.527322766689279</td><td><a href="/food_sources/162">Garlic</a></td><td><a href="/entries/PHUB001852">S-Allylmercapturic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001849">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1859"><td></td><td><a href="/entries/PHUB001850">γ-glutamyl cysteine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001850</td><td>1859</td><td>250.062342733</td><td>C<sub>8</sub>H<sub>14</sub>N<sub>2</sub>O<sub>5</sub>S</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>gamma-Glu-Cys; L-gamma-glutamyl-L-cysteine</td><td class="structure"><img data-src="/structures/PHUB001850/image.svg" src="" /></td><td>RITKHVBHSGLULN-WHFBIAKZSA-N</td><td>636-58-8</td><td>(2S)-2-amino-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid</td><td>250.27</td><td>2.62e+00 g/l</td><td>-2.53</td><td>-1.98</td><td>InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1</td><td>N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O</td><td>9.239048816239574</td><td>1.9096914223488342</td><td><a href="/food_sources/162">Garlic</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001850">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1864"><td></td><td><a href="/entries/PHUB001851">Gamma-glutamyl-S-allyl-L-cysteine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001851</td><td>1864</td><td>290.093642862</td><td>C<sub>11</sub>H<sub>18</sub>N<sub>2</sub>O<sub>5</sub>S</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>GAC; L-γ-Glutamyl-S-allyl-L-cysteine</td><td class="structure"><img data-src="/structures/PHUB001851/image.svg" src="" /></td><td>FUTHBNRZCFKVQZ-YUMQZZPRSA-N</td><td></td><td>(2S)-2-amino-4-{[(1R)-1-carboxy-2-(prop-2-en-1-ylsulfanyl)ethyl]carbamoyl}butanoic acid</td><td>290.33</td><td>3.55e+00 g/l</td><td>-2.67</td><td>-1.91</td><td>InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1</td><td>[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC=C)C(O)=O)C(O)=O</td><td>9.312056198069042</td><td>1.7778738380774473</td><td><a href="/food_sources/162">Garlic</a></td><td><a href="/entries/PHUB001852">S-Allylmercapturic acid</a> / <a href="/entries/PHUB001849">S-allylcysteine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001851">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1865"><td></td><td><a href="/entries/PHUB001852">S-Allylmercapturic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001852</td><td>1865</td><td>203.061614457</td><td>C<sub>8</sub>H<sub>13</sub>NO<sub>3</sub>S</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>ALMA; N-Acetyl-S-allyl-L-cysteine; N-acetyl-S-allylcysteine</td><td class="structure"><img data-src="/structures/PHUB001852/image.svg" src="" /></td><td>LKRAEHUDIUJBSF-ZETCQYMHSA-N</td><td>23127-41-5</td><td>(2R)-2-[(Z)-(1-hydroxyethylidene)amino]-3-(prop-2-en-1-ylsulfanyl)propanoic acid</td><td>203.26</td><td>9.46e-01 g/l</td><td>0.45</td><td>-2.33</td><td>InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1</td><td>[H][C@@](CSCC=C)(\N=C(\C)O)C(O)=O</td><td>1.2473001401123078</td><td>4.060608978324654</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001852">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1867"><td></td><td><a href="/entries/PHUB001854">N-Acetyl-S-(2-carboxypropyl) cysteine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001854</td><td>1867</td><td>249.067093761</td><td>C<sub>9</sub>H<sub>15</sub>NO<sub>5</sub>S</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-methylpropanoic acid; CPMA; NACPC</td><td class="structure"><img data-src="/structures/PHUB001854/image.svg" src="" /></td><td>NCVHUCCOTCVUCB-MSZQBOFLSA-N</td><td>73614-35-4</td><td>3-{[(2R)-2-carboxy-2-acetamidoethyl]sulfanyl}-2-methylpropanoic acid</td><td>249.28</td><td>3.56e+00 g/l</td><td>0.31</td><td>-1.84</td><td>InChI=1S/C9H15NO5S/c1-5(8(12)13)3-16-4-7(9(14)15)10-6(2)11/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)/t5?,7-/m0/s1</td><td>[H]N([C@@H](CSCC(C)C(O)=O)C(O)=O)C(C)=O</td><td>-1.9963921913893667</td><td>3.5747009760631343</td><td><a href="/food_sources/42">Common cabbage</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001854">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1868"><td></td><td><a href="/entries/PHUB001855">Allyl methyl sulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001855</td><td>1868</td><td>88.034671432</td><td>C<sub>4</sub>H<sub>8</sub>S</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-methylthio-1-propene; allylmethylsulfide; AMS; methyl propenyl sulfide</td><td class="structure"><img data-src="/structures/PHUB001855/image.svg" src="" /></td><td>NVLPQIPTCCLBEU-UHFFFAOYSA-N</td><td>10152-76-8</td><td>3-(methylsulfanyl)prop-1-ene</td><td>88.17</td><td>9.16e-01 g/l</td><td>1.46</td><td>-1.98</td><td>InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3</td><td>CSCC=C</td><td></td><td></td><td><a href="/food_sources/162">Garlic</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001855">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1869"><td></td><td><a href="/entries/PHUB001856">Allyl methyl disulfite</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001856</td><td>1869</td><td>120.006742606</td><td>C<sub>4</sub>H<sub>8</sub>S<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>AMDS</td><td class="structure"><img data-src="/structures/PHUB001856/image.svg" src="" /></td><td>XNZOTQPMYMCTBZ-UHFFFAOYSA-N</td><td>2179-58-0</td><td>3-(methyldisulfanyl)prop-1-ene</td><td>120.23</td><td>6.62e-01 g/l</td><td>1.82</td><td>-2.26</td><td>InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3</td><td>CSSCC=C</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001856">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1870"><td></td><td><a href="/entries/PHUB001857">Garlic sulphur-containing compounds</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001857</td><td>1870</td><td></td><td></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001857/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001853">Hexahydro-hippuric acid</a> / <a href="/entries/PHUB001854">N-Acetyl-S-(2-carboxypropyl) cysteine</a> / <a href="/entries/PHUB001852">S-Allylmercapturic acid</a> / <a href="/entries/PHUB001855">Allyl methyl sulfide</a> / <a href="/entries/PHUB001859">Allyl methyl sulfoxide</a> / <a href="/entries/PHUB001860">Allyl methyl sulfone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001857">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1871"><td></td><td><a href="/entries/PHUB001858">Onion sulphur-containing compounds</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001858</td><td>1871</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001858/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001854">N-Acetyl-S-(2-carboxypropyl) cysteine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001858">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1872"><td></td><td><a href="/entries/PHUB001859">Allyl methyl sulfoxide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001859</td><td>1872</td><td>104.029586052</td><td>C<sub>4</sub>H<sub>8</sub>OS</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>AMSO</td><td class="structure"><img data-src="/structures/PHUB001859/image.svg" src="" /></td><td>JWWFEYMQBBFIRT-UHFFFAOYSA-N</td><td></td><td>3-methanesulfinylprop-1-ene</td><td>104.17</td><td>3.01e+01 g/l</td><td>-0.02</td><td>-0.54</td><td>InChI=1S/C4H8OS/c1-3-4-6(2)5/h3H,1,4H2,2H3</td><td>CS(=O)CC=C</td><td>-8.042369242439426</td><td>18.485054196992973</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001859">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1873"><td></td><td><a href="/entries/PHUB001860">Allyl methyl sulfone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001860</td><td>1873</td><td>120.024500672</td><td>C<sub>4</sub>H<sub>8</sub>O<sub>2</sub>S</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001860/image.svg" src="" /></td><td>WOPDMJYIAAXDMN-UHFFFAOYSA-N</td><td></td><td>3-methanesulfonylprop-1-ene</td><td>120.17</td><td>
81.01e+01 g/l</td><td>0.00</td><td>-1.08</td><td>InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3</td><td>CS(=O)(=O)CC=C</td><td></td><td>16.863249357042818</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001860">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1874"><td></td><td><a href="/entries/PHUB001861">4'-O-Methylgallic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Methoxy-trihydroxybenzoic acid</td><td>PHUB001861</td><td>1874</td><td>184.037173358</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxybenzoic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-methoxygallic acid; 4-O-methylgallic acid</td><td class="structure"><img data-src="/structures/PHUB001861/image.svg" src="" /></td><td>UBXDWYFLYYJQFR-UHFFFAOYSA-N</td><td>4319-02-2</td><td>3,5-dihydroxy-4-methoxybenzoic acid</td><td>184.147</td><td>4.93e+00 g/l</td><td>1.32</td><td>-1.57</td><td>InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)</td><td>COC1=C(O)C=C(C=C1O)C(O)=O</td><td>-4.857231269035329</td><td>3.9282695444090763</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001861">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1875"><td></td><td><a href="/entries/PHUB001862">Falcarindiol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001862</td><td>1875</td><td>260.177630013</td><td>C<sub>17</sub>H<sub>24</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Falcalindiol</td><td class="structure"><img data-src="/structures/PHUB001862/image.svg" src="" /></td><td>QWCNQXNAFCBLLV-YWALDVPYSA-N</td><td>55297-87-5</td><td>(3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol</td><td>260.377</td><td>7.39e-03 g/l</td><td>4.40</td><td>-4.55</td><td>InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1</td><td>CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C</td><td>-3.4532485953458125</td><td>13.025443773649998</td><td><a href="/food_sources/21">Caraway</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/29">Celery stalks</a> / <a href="/food_sources/188">Chervil</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/65">Fennel</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/107">Parsnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001862">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1876"><td></td><td><a href="/entries/PHUB001863">Falcarinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001863</td><td>1876</td><td>244.182715393</td><td>C<sub>17</sub>H<sub>24</sub>O</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3R,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol; Panaxynol</td><td class="structure"><img data-src="/structures/PHUB001863/image.svg" src="" /></td><td>UGJAEDFOKNAMQD-QXPKXGMISA-N</td><td>21852-80-2</td><td>(3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol</td><td>244.378</td><td>3.18e-03 g/l</td><td>5.78</td><td>-4.89</td><td>InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1</td><td>CCCCCCC\C=C/CC#CC#C[C@H](O)C=C</td><td>-3.5470119509626676</td><td>13.289410263002589</td><td><a href="/food_sources/21">Caraway</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/29">Celery stalks</a> / <a href="/food_sources/188">Chervil</a> / <a href="/food_sources/59">Dill</a> / <a href="/food_sources/65">Fennel</a> / <a href="/food_sources/74">Ginseng</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/107">Parsnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001863">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1877"><td></td><td><a href="/entries/PHUB001864">Oenanthetol acetate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001864</td><td>1877</td><td>284.177630013</td><td>C<sub>19</sub>H<sub>24</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001864/image.svg" src="" /></td><td>DYZRQRYBGTXIBN-LXIBMNCBSA-N</td><td></td><td>(2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyn-1-yl acetate</td><td>284.399</td><td>2.33e-03 g/l</td><td>6.05</td><td>-5.09</td><td>InChI=1S/C19H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h8-11,16-17H,3-7,18H2,1-2H3/b9-8+,11-10+,17-16+</td><td>CCCCCC\C=C\C=C\C#CC#C\C=C\COC(C)=O</td><td>-7.004480795618578</td><td></td><td><a href="/food_sources/59">Dill</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001864">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1878"><td></td><td><a href="/entries/PHUB001865">Falcarindiol 3-acetate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001865</td><td>1878</td><td>302.188194697</td><td>C<sub>19</sub>H<sub>26</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001865/image.svg" src="" /></td><td>UZDRBZORBWOTCF-SDNWHVSQSA-N</td><td></td><td>(9E)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-yl acetate</td><td>302.414</td><td>3.99e-03 g/l</td><td>5.01</td><td>-4.88</td><td>InChI=1S/C19H26O3/c1-4-6-7-8-9-10-11-14-18(21)15-12-13-16-19(5-2)22-17(3)20/h5,11,14,18-19,21H,2,4,6-10H2,1,3H3/b14-11+</td><td>CCCCCCC\C=C\C(O)C#CC#CC(OC(C)=O)C=C</td><td>-3.454204583830753</td><td>13.501589886075097</td><td><a href="/food_sources/23">Carrot</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/107">Parsnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001865">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1879"><td></td><td><a href="/entries/PHUB001866">Falcarindiol 8-methyl ether</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001866</td><td>1879</td><td>274.193280077</td><td>C<sub>18</sub>H<sub>26</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001866/image.svg" src="" /></td><td>ATAPIWUGAQVIQM-DRGUFAJJSA-N</td><td></td><td>(3R,9Z)-8-methoxyheptadeca-1,9-dien-4,6-diyn-3-ol</td><td>274.404</td><td>3.73e-03 g/l</td><td>5.08</td><td>-4.87</td><td>InChI=1S/C18H26O2/c1-4-6-7-8-9-10-11-15-18(20-3)16-13-12-14-17(19)5-2/h5,11,15,17-19H,2,4,6-10H2,1,3H3/b15-11-/t17-,18?/m1/s1</td><td>CCCCCCC\C=C/C(OC)C#CC#C[C@H](O)C=C</td><td>-3.5859669664010796</td><td>13.200349871053772</td><td><a href="/food_sources/28">Celeriac</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001866">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1880"><td></td><td><a href="/entries/PHUB001867">Panaxydiol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001867</td><td>1880</td><td>260.177630013</td><td>C<sub>17</sub>H<sub>24</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001867/image.svg" src="" /></td><td>DSVMWGREWREVQQ-ODQHEUEKSA-N</td><td>708257-91-4</td><td>(3R,8E,10S)-heptadeca-1,8-dien-4,6-diyne-3,10-diol</td><td>260.377</td><td>8.41e-03 g/l</td><td>4.38</td><td>-4.49</td><td>InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12+/t16-,17+/m1/s1</td><td>CCCCCCC[C@H](O)\C=C\C#CC#C[C@H](O)C=C</td><td>-1.8325148974752568</td><td>13.185129431662986</td><td><a href="/food_sources/28">Celeriac</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001867">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1881"><td></td><td><a href="/entries/PHUB001868">Falcarinone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001868</td><td>1881</td><td>242.167065328</td><td>C<sub>17</sub>H<sub>22</sub>O</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Panaxynone</td><td class="structure"><img data-src="/structures/PHUB001868/image.svg" src="" /></td><td>UQEBOJRXTNLPKZ-KHPPLWFESA-N</td><td>4117-11-7</td><td>(9Z)-heptadeca-1,9-dien-4,6-diyn-3-one</td><td>242.362</td><td>2.08e-03 g/l</td><td>5.99</td><td>-5.07</td><td>InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10-</td><td>CCCCCCC\C=C/CC#CC#CC(=O)C=C</td><td>-6.472143170179478</td><td></td><td><a href="/food_sources/23">Carrot</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/107">Parsnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001868">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1882"><td></td><td><a href="/entries/PHUB001869">Falcarinolone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001869</td><td>1882</td><td>258.161979948</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001869/image.svg" src="" /></td><td>STNWZOBISHHDCD-UVTDQMKNSA-N</td><td>18089-23-1</td><td>(9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one</td><td>258.361</td><td>3.97e-03 g/l</td><td>4.70</td><td>-4.81</td><td>InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10-</td><td>CCCCCCC\C=C/C(O)C#CC#CC(=O)C=C</td><td>-3.5708629485243377</td><td>13.234881233369144</td><td><a href="/food_sources/21">Caraway</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/28">Celeriac</a> / <a href="/food_sources/106">Parsley</a> / <a href="/food_sources/107">Parsnip</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001869">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1883"><td></td><td><a href="/entries/PHUB001870">Myo-inositol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001870</td><td>1883</td><td>180.063388106</td><td>C<sub>6</sub>H<sub>12</sub>O<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cyclohexitol</td><td class="structure"><img data-src="/structures/PHUB001870/image.svg" src="" /></td><td>CDAISMWEOUEBRE-GPIVLXJGSA-N</td><td>87-89-8</td><td>(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol</td><td>180.156</td><td>4.85e+02 g/l</td><td>-2.59</td><td>0.43</td><td>InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-</td><td>O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O</td><td>-3.6457598380654486</td><td>12.285497953856298</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001870">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1884"><td></td><td><a href="/entries/PHUB001871">Quercetin 4'-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001871</td><td>1884</td><td>381.999467696</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>10</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001871/image.svg" src="" /></td><td>WNILMGLHADIIDH-UHFFFAOYSA-N</td><td></td><td>[2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid</td><td>382.3</td><td>4.99e-01 g/l</td><td>0.70</td><td>-2.88</td><td>InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-10(8(17)3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)</td><td>OC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(O)=C(OS(O)(=O)=O)C=C1</td><td>-4.114679334206395</td><td>-2.5985183805213077</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001871">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1885"><td></td><td><a href="/entries/PHUB001872">alpha-Tocopherol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001872</td><td>1885</td><td>430.38108085</td><td>C<sub>29</sub>H<sub>50</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(+)-α-tocopherol; Vitamin E</td><td class="structure"><img data-src="/structures/PHUB001872/image.svg" src="" /></td><td>GVJHHUAWPYXKBD-IEOSBIPESA-N</td><td>59-02-9</td><td>(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol</td><td>430.717</td><td>7.04e-06 g/l</td><td>8.84</td><td>-7.79</td><td>InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1</td><td>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1</td><td>-4.852614901775799</td><td>10.802178125613777</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001872">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1886"><td></td><td><a href="/entries/PHUB001873">4-O-Methylgallic acid 3-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001873</td><td>1886</td><td>263.993988392</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001873/image.svg" src="" /></td><td>LMJIEJLSDJBABY-UHFFFAOYSA-N</td><td></td><td>3-hydroxy-4-methoxy-5-(sulfooxy)benzoic acid</td><td>264.2</td><td>4.01e+00 g/l</td><td>-0.53</td><td>-1.82</td><td>InChI=1S/C8H8O8S/c1-15-7-5(9)2-4(8(10)11)3-6(7)16-17(12,13)14/h2-3,9H,1H3,(H,10,11)(H,12,13,14)</td><td>COC1=C(O)C=C(C=C1OS(O)(=O)=O)C(O)=O</td><td>-5.005232438265872</td><td>-2.6700075590236056</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001873">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1887"><td></td><td><a href="/entries/PHUB001874">Quercetin disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001874</td><td>1887</td><td>461.95628273</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>13</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001874/image.svg" src="" /></td><td>QSVDYMPRHIGMGH-UHFFFAOYSA-N</td><td></td><td>{3,5-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromen-7-yl}oxidanesulfonic acid</td><td>462.35</td><td>2.22e-01 g/l</td><td>-0.69</td><td>-3.32</td><td>InChI=1S/C15H10O13S2/c16-8-2-1-6(3-10(8)28-30(23,24)25)15-14(19)13(18)12-9(17)4-7(5-11(12)26-15)27-29(20,21)22/h1-5,16-17,19H,(H,20,21,22)(H,23,24,25)</td><td>OC1=C(OS(O)(=O)=O)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1</td><td>-4.189635891745295</td><td>-2.975029848313068</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001874">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1888"><td></td><td><a href="/entries/PHUB001875">Betonicine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001875</td><td>1888</td><td>159.089543283</td><td>C<sub>7</sub>H<sub>13</sub>NO<sub>3</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Hydroxyproline betaine; 4-Hydroxystachydrine; Achillein</td><td class="structure"><img data-src="/structures/PHUB001875/image.svg" src="" /></td><td>MUNWAHDYFVYIKH-RITPCOANSA-N</td><td></td><td>(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate</td><td>159.185</td><td>1.22e+01 g/l</td><td>-1.54</td><td>-1.24</td><td>InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1</td><td>C[N+]1(C)C[C@H](O)C[C@H]1C([O-])=O</td><td>-3.557011720295096</td><td>3.058456074103659</td><td><a href="/food_sources/358">Horehound</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001875">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1889"><td></td><td><a href="/entries/PHUB001876">Betuletol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001876</td><td>1889</td><td>330.073952791</td><td>C<sub>17</sub>H<sub>14</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6,4'-Dimethoxy-3,5,7-trihydroxyflavone</td><td class="structure"><img data-src="/structures/PHUB001876/image.svg" src="" /></td><td>MSLBFGWANLXSOK-UHFFFAOYSA-N</td><td>35214-88-1</td><td>3,5,7-trihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one</td><td>330.292</td><td>8.32e-02 g/l</td><td>2.35</td><td>-3.60</td><td>InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)16-15(21)13(19)12-11(24-16)7-10(18)17(23-2)14(12)20/h3-7,18,20-21H,1-2H3</td><td>COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C(OC)=C2O</td><td>-3.919639326303234</td><td>6.908481704225138</td><td><a href="/food_sources/8">Apricot</a> / <a href="/food_sources/34">Chicory</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001876">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1891"><td></td><td><a href="/entries/PHUB001878">Cerasinone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001878</td><td>1891</td><td>330.1103383</td><td>C<sub>18</sub>H<sub>18</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7-Hydroxy-2',4',5-trimethoxyflavanone</td><td class="structure"><img data-src="/structures/PHUB001878/image.svg" src="" /></td><td>JVUGHKAZGNYYCA-UHFFFAOYSA-N</td><td>64166-14-9</td><td>2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one</td><td>330.336</td><td>4.78e-02 g/l</td><td>1.60</td><td>-3.84</td><td>InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3</td><td>COC1=CC(OC)=C(C=C1)C1CC(=O)C2=C(OC)C=C(O)C=C2O1</td><td>-4.280543350878845</td><td>7.857101795427936</td><td><a href="/food_sources/267">Tart cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001878">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1892"><td></td><td><a href="/entries/PHUB001879">Ephedrannin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001879</td><td>1892</td><td>556.100561464</td><td>C<sub>30</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001879/image.svg" src="" /></td><td>GPBSBBVDERLESN-QZFRTWIZSA-N</td><td></td><td>(1S,13R,21S)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),5,9,15(20),16,18-heptaen-7-one</td><td>556.479</td><td>4.34e-02 g/l</td><td>3.31</td><td>-4.11</td><td>InChI=1S/C30H20O11/c31-14-5-1-12(2-6-14)27-26(37)25(36)22-18(35)11-20-23(28(22)39-27)24-21-17(34)9-16(33)10-19(21)40-30(41-20,29(24)38)13-3-7-15(32)8-4-13/h1-11,24,29,31-35,37-38H/t24-,29-,30+/m0/s1</td><td>O[C@H]1[C@H]2C3=C(O[C@@]1(OC1=C2C2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C=C(O)C=C3O</td><td>-3.8838549896858034</td><td>7.165066351673676</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001879">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1893"><td></td><td><a href="/entries/PHUB001880">Tectochrysin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001880</td><td>1893</td><td>268.073558866</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-hydroxy-7-methoxyflavone</td><td class="structure"><img data-src="/structures/PHUB001880/image.svg" src="" /></td><td>IRZVHDLBAYNPCT-UHFFFAOYSA-N</td><td>520-28-5</td><td>5-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one</td><td>268.268</td><td>5.22e-02 g/l</td><td>3.71</td><td>-3.71</td><td>InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3</td><td>COC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1</td><td>-4.745726102201756</td><td>7.3657161979522305</td><td><a href="/food_sources/267">Tart cherry</a></td><td><a href="/entries/PHUB001880">Tectochrysin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001880">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1894"><td></td><td><a href="/entries/PHUB001881">all-trans-retinol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001881</td><td>1894</td><td>286.229665586</td><td>C<sub>20</sub>H<sub>30</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Retinol; Vitamin A</td><td class="structure"><img data-src="/structures/PHUB001881/image.svg" src="" /></td><td>FPIPGXGPPPQFEQ-OVSJKPMPSA-N</td><td>11103-57-4</td><td></td><td>286.459</td><td></td><td></td><td></td><td>InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+</td><td>C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001881">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1896"><td></td><td><a href="/entries/PHUB001883">gamma-Tocopherol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001883</td><td>1896</td><td>416.365430786</td><td>C<sub>28</sub>H<sub>48</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7,8-dimethyltocol</td><td class="structure"><img data-src="/structures/PHUB001883/image.svg" src="" /></td><td>QUEDXNHFTDJVIY-DQCZWYHMSA-N</td><td>54-28-4</td><td>(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol</td><td>416.69</td><td>7.37e-06 g/l</td><td>8.81</td><td>-7.75</td><td>InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1</td><td>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=CC(O)=C(C)C(C)=C2O1</td><td>-4.852416276824041</td><td>10.470460494566392</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001883">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1897"><td></td><td><a href="/entries/PHUB001884">6-Sulfatoxymelatonin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001884</td><td>1897</td><td>328.072907417</td><td>C<sub>13</sub>H<sub>16</sub>N<sub>2</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6-Hydroxymelatonin sulfate; 6-Sulphatoxymelatonin</td><td class="structure"><img data-src="/structures/PHUB001884/image.svg" src="" /></td><td>QQEILXDLZRLTME-UHFFFAOYSA-N</td><td>2208-40-4</td><td>[3-(2-acetamidoethyl)-5-methoxy-1H-indol-6-yl]oxidanesulfonic acid</td><td>328.34</td><td>1.10e-01 g/l</td><td>-0.40</td><td>-3.47</td><td>InChI=1S/C13H16N2O6S/c1-8(16)14-4-3-9-7-15-11-6-13(21-22(17,18)19)12(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)(H,17,18,19)</td><td>[H]N(CCC1=CN([H])C2=CC(OS(O)(=O)=O)=C(OC)C=C12)C(C)=O</td><td>-1.3913380034951062</td><td>-2.042946160189616</td><td></td><td><a href="/entries/PHUB001644">Melatonin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001884">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1898"><td></td><td><a href="/entries/PHUB001885">Cerasin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001885</td><td>1898</td><td>330.1103383</td><td>C<sub>18</sub>H<sub>18</sub>O<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001885/image.svg" src="" /></td><td>CWMMCBXYWVPWJL-FNORWQNLSA-N</td><td></td><td>(2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one</td><td>330.336</td><td>1.72e-02 g/l</td><td>3.02</td><td>-4.28</td><td>InChI=1S/C18H18O6/c1-22-13-6-4-11(16(10-13)23-2)5-7-14(20)18-15(21)8-12(19)9-17(18)24-3/h4-10,19,21H,1-3H3/b7-5+</td><td>COC1=CC(OC)=C(\C=C\C(=O)C2=C(OC)C=C(O)C=C2O)C=C1</td><td>-4.382754120389406</td><td>7.197876875754718</td><td><a href="/food_sources/267">Tart cherry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001885">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1899"><td></td><td><a href="/entries/PHUB001886">Retinal</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001886</td><td>1899</td><td>284.214015522</td><td>C<sub>20</sub>H<sub>28</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>all-trans-Retinal; all-trans-retinaldehyde; all-trans-Retinene; Vitamin A aldehyde</td><td class="structure"><img data-src="/structures/PHUB001886/image.svg" src="" /></td><td>NCYCYZXNIZJOKI-OVSJKPMPSA-N</td><td>116-31-4</td><td>(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal</td><td>284.443</td><td>4.20e-03 g/l</td><td>6.62</td><td>-4.83</td><td>InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+</td><td>C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O</td><td>-4.061304726121949</td><td></td><td></td><td><a href="/entries/PHUB000350">β-Carotene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001886">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1900"><td></td><td><a href="/entries/PHUB001887">Methyl p-Coumaric acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001887</td><td>1900</td><td>178.062994182</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>Methyl 4-hydroxycinnamate; Methyl p-Coumarate; p-Hydroxycinnamic acid methyl ester; trans-p-Coumaric Acid Methyl Ester</td><td class="structure"><img data-src="/structures/PHUB001887/image.svg" src="" /></td><td>NITWSHWHQAQBAW-QPJJXVBHSA-N</td><td>3943-97-3</td><td>methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate</td><td>178.187</td><td>9.78e-01 g/l</td><td>2.42</td><td>-2.26</td><td>InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+</td><td>COC(=O)\C=C\C1=CC=C(O)C=C1</td><td>-5.954730133757687</td><td>9.398704446238039</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001887">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1901"><td></td><td><a href="/entries/PHUB001888">Eugenol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001888</td><td>1901</td><td>244.04054466</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB001888/image.svg" src="" /></td><td>XWAZTQUZONPJEW-UHFFFAOYSA-N</td><td></td><td>[2-methoxy-4-(prop-2-en-1-yl)phenyl]oxidanesulfonic acid</td><td>244.26</td><td>2.84e-01 g/l</td><td>0.16</td><td>-2.93</td><td>InChI=1S/C10H12O5S/c1-3-4-8-5-6-9(10(7-8)14-2)15-16(11,12)13/h3,5-7H,1,4H2,2H3,(H,11,12,13)</td><td>COC1=C(OS(O)(=O)=O)C=CC(CC=C)=C1</td><td>-4.9182845049623705</td><td>-1.9879252851852858</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001888">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1902"><td></td><td><a href="/entries/PHUB001889">Vanillyl alcohol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001889</td><td>1902</td><td>154.062994182</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>4-(hydroxymethyl)-2-methoxyphenol; 4-Hydroxy-3-methoxy-benzenemethanol; Vanillic alcohol</td><td class="structure"><img data-src="/structures/PHUB001889/image.svg" src="" /></td><td>ZENOXNGFMSCLLL-UHFFFAOYSA-N</td><td>498-00-0</td><td>4-(hydroxymethyl)-2-methoxyphenol</td><td>154.165</td><td>2.94e+01 g/l</td><td>0.50</td><td>-0.72</td><td>InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3</td><td>COC1=CC(CO)=CC=C1O</td><td>-2.817579686041258</td><td>9.915136507660787</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001889">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1903"><td></td><td><a href="/entries/PHUB001890">Chavicol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001890</td><td>1903</td><td>134.073164942</td><td>C<sub>9</sub>H<sub>10</sub>O</td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(2-Propenyl)phenol; 4-Allylphenol; p-Hydroxyallylbenzene</td><td class="structure"><img data-src="/structures/PHUB001890/image.svg" src="" /></td><td>RGIBXDHONMXTLI-UHFFFAOYSA-N</td><td>501-92-8</td><td>4-(prop-2-en-1-yl)phenol</td><td>134.178</td><td>2.46e+00 g/l</td><td>2.46</td><td>-1.74</td><td>InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2</td><td>OC1=CC=C(CC=C)C=C1</td><td>-5.958425173561263</td><td>9.50147367907245</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001890">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1904"><td></td><td><a href="/entries/PHUB001891">Chavicol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001891</td><td>1904</td><td>214.029979976</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td>4-Allylphenol sulfate</td><td class="structure"><img data-src="/structures/PHUB001891/image.svg" src="" /></td><td>KFDHKOFCRYUXLA-UHFFFAOYSA-N</td><td></td><td>[4-(prop-2-en-1-yl)phenyl]oxidanesulfonic acid</td><td>214.24</td><td>5.52e-01 g/l</td><td>0.11</td><td>-2.59</td><td>InChI=1S/C9H10O4S/c1-2-3-8-4-6-9(7-5-8)13-14(10,11)12/h2,4-7H,1,3H2,(H,10,11,12)</td><td>OS(=O)(=O)OC1=CC=C(CC=C)C=C1</td><td></td><td>-1.8963618921446102</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001891">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1905"><td></td><td><a href="/entries/PHUB001892">5-Hydroxymethyl-2-furoic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001892</td><td>1905</td><td>142.026608673</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-(Hydroxymethyl)-2-furancarboxylic acid; 5-(Hydroxymethyl)furoic acid; Sumikis' acid</td><td class="structure"><img data-src="/structures/PHUB001892/image.svg" src="" /></td><td>PCSKKIUURRTAEM-UHFFFAOYSA-N</td><td></td><td>5-(hydroxymethyl)furan-2-carboxylic acid</td><td>142.11</td><td>3.09e+01 g/l</td><td>0.11</td><td>-0.66</td><td>InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)</td><td>OCC1=CC=C(O1)C(O)=O</td><td>-3.152148739312927</td><td>3.1124562891214937</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001892">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1906"><td></td><td><a href="/entries/PHUB001893">5-Hydroxymethylfurfural</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001893</td><td>1906</td><td>126.031694053</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-(Hydroxymethyl)-2-furaldehyde; 5-(Hydroxymethyl)-2-furancarbonal; 5-(Hydroxymethyl)-2-furancarboxaldehyde; 5-(Hydroxymethyl)furfural.; 5-(Hydroxymethyl)furfuraldehyde.; 5-HMF; 5-Hydroxymethyl-2-formylfuran</td><td class="structure"><img data-src="/structures/PHUB001893/image.svg" src="" /></td><td>NOEGNKMFWQHSLB-UHFFFAOYSA-N</td><td>67-47-0</td><td>5-(hydroxymethyl)furan-2-carbaldehyde</td><td>126.111</td><td>3.11e+01 g/l</td><td>-0.17</td><td>-0.61</td><td>InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2</td><td>OCC1=CC=C(O1)C=O</td><td>-3.080950200023614</td><td>13.64573265856331</td><td><a href="/food_sources/64">European plum</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001893">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1907"><td></td><td><a href="/entries/PHUB001894">(5-carboxylic acid-2-furoyl)glycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001894</td><td>1907</td><td>213.027336949</td><td>C<sub>8</sub>H<sub>7</sub>NO<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001894/image.svg" src="" /></td><td>BMLDRTOFHSQTSR-UHFFFAOYSA-N</td><td></td><td>5-[(carboxymethyl)carbamoyl]furan-2-carboxylic acid</td><td>213.145</td><td>1.13e+00 g/l</td><td>0.10</td><td>-2.28</td><td>InChI=1S/C8H7NO6/c10-6(11)3-9-7(12)4-1-2-5(15-4)8(13)14/h1-2H,3H2,(H,9,12)(H,10,11)(H,13,14)</td><td>OC(=O)CNC(=O)C1=CC=C(O1)C(O)=O</td><td>-3.1890821666688143</td><td>2.7729618646070904</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001894">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1908"><td></td><td><a href="/entries/PHUB001895">4-Methylthio-3-butenyl isothiocyanate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001895</td><td>1908</td><td>159.017641642</td><td>C<sub>6</sub>H<sub>9</sub>NS<sub>2</sub></td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Raphasatin</td><td class="structure"><img data-src="/structures/PHUB001895/image.svg" src="" /></td><td>RYSPJKHYSHFYEB-HWKANZROSA-N</td><td></td><td>(1E)-4-isothiocyanato-1-(methylsulfanyl)but-1-ene</td><td>159.27</td><td>1.09e-01 g/l</td><td>2.99</td><td>-3.17</td><td>InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3+</td><td>CS\C=C\CCN=C=S</td><td>1.3497662213058896</td><td></td><td><a href="/food_sources/254">Radish</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001895">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1909"><td></td><td><a href="/entries/PHUB001896">3'-Methyl-epicatechin-7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3â²-Methoxy-(â)-epicatechin-7-glucuronide</td><td>PHUB001896</td><td>1909</td><td>480.126776213</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>12</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001896/image.svg" src="" /></td><td>MZJSKSYVZZIYPF-VMEILSNUSA-N</td><td></td><td>6-{[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>480.422</td><td>2.28e+00 g/l</td><td>0.27</td><td>-2.32</td><td>InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)23)19-13(25)7-10-12(24)5-9(6-14(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16?,17?,18?,19-,20?,22?/m1/s1</td><td>COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OC1OC(C(O)C(O)C1O)C(O)=O)=C2</td><td>-3.292411375820786</td><td>2.843922042199331</td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001896">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1910"><td></td><td><a href="/entries/PHUB001897">3-n-Butyl phthalide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001897</td><td>1910</td><td>190.099379691</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001897/image.svg" src="" /></td><td>HJXMNVQARNZTEE-UHFFFAOYSA-N</td><td>6066-49-5</td><td>3-butyl-1,3-dihydro-2-benzofuran-1-one</td><td>190.242</td><td>6.54e-02 g/l</td><td>3.00</td><td>-3.46</td><td>InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3</td><td>CCCCC1OC(=O)C2=C1C=CC=C2</td><td>-6.930943319783303</td><td>9.37893362240197</td><td><a href="/food_sources/28">Celeriac</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001897">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1911"><td></td><td><a href="/entries/PHUB001898">Falcarindiol-3-acetate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001898</td><td>1911</td><td>278.188194697</td><td>C<sub>17</sub>H<sub>26</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001898/image.svg" src="" /></td><td>OTALOBDRHDYQFQ-LJSRDHQOSA-N</td><td>111264-34-7</td><td>(3R,8S,9Z)-8-hydroxypentadeca-1,4,6,9-tetraen-3-yl acetate</td><td>278.392</td><td>4.97e-03 g/l</td><td>4.42</td><td>-4.75</td><td>InChI=1S/C17H26O3/c1-4-6-7-8-9-12-16(19)13-10-11-14-17(5-2)20-15(3)18/h5,9-14,16-17,19H,2,4,6-8H2,1,3H3/b12-9-,13-10?,14-11?/t16-,17+/m0/s1</td><td>CCCCC\C=C/[C@H](O)C=CC=C[C@H](OC(C)=O)C=C</td><td>-1.9186794396946156</td><td>17.012156271556083</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001898">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1912"><td></td><td><a href="/entries/PHUB001899">Glucoraphasatin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-Methylthio-3-butenyl-glucosinolate</td><td>PHUB001899</td><td>1912</td><td>419.037844782</td><td>C<sub>12</sub>H<sub>21</sub>NO<sub>9</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Glucosinolates</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-Methylsulfanyl-3-butenyl glucosinolate; 4-Methylthio-3-butenyl glucosinolate; 4-Methylthiobutenyl glucosinolate; Dehydroerucin; Glucodehydroerucin; MTBITC</td><td class="structure"><img data-src="/structures/PHUB001899/image.svg" src="" /></td><td>WKDRWPTXVNSBKA-FGZYSFEDSA-N</td><td>28463-23-2</td><td>{[(Z)-[(4E)-5-(methylsulfanyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino]oxy}sulfonic acid</td><td>419.48</td><td>3.50e+00 g/l</td><td>-1.32</td><td>-2.08</td><td>InChI=1S/C12H21NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,18,19,20)/b5-3+,13-8-/t7-,9-,10+,11-,12+/m1/s1</td><td>CS\C=C\CC\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N\OS(O)(=O)=O</td><td>-0.26990316073686327</td><td>-3.581169310433021</td><td><a href="/food_sources/425">Daikon radish</a> / <a href="/food_sources/254">Radish</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001899">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1913"><td></td><td><a href="/entries/PHUB001900">Sulforaphene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(1E)-4-isothiocyanato-1-methanesulfinylbut-1-ene</td><td>PHUB001900</td><td>1913</td><td>175.012556262</td><td>C<sub>6</sub>H<sub>9</sub>NOS<sub>2</sub></td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Raphanin</td><td class="structure"><img data-src="/structures/PHUB001900/image.svg" src="" /></td><td>QKGJFQMGPDVOQE-HWKANZROSA-N</td><td>592-95-0</td><td>(1E)-4-isothiocyanato-1-methanesulfinylbut-1-ene</td><td>175.26</td><td>1.89e+00 g/l</td><td>1.62</td><td>-1.97</td><td>InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+</td><td>CS(=O)\C=C\CCN=C=S</td><td>0.6645165418591774</td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/254">Radish</a> / <a href="/food_sources/424">Radish sprouts</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001900">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1914"><td></td><td><a href="/entries/PHUB001901">Sulforaphane-N-acetyl-L-cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1-isothiocyanato-4-(methylsulfinyl)butane-N-acetyl-L-cysteine</td><td>PHUB001901</td><td>1914</td><td>340.058520654</td><td>C<sub>11</sub>H<sub>20</sub>N<sub>2</sub>O<sub>4</sub>S<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-isothiocyanato-4-(methylsulfinyl)butane-N-acetylcysteine; N-acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine</td><td class="structure"><img data-src="/structures/PHUB001901/image.svg" src="" /></td><td>IIHBKTCHILXGOT-UHFFFAOYSA-N</td><td></td><td>2-acetamido-3-{[(4-methanesulfinylbutyl)carbamothioyl]sulfanyl}propanoic acid</td><td>340.47</td><td>2.07e-01 g/l</td><td>0.12</td><td>-3.22</td><td>InChI=1S/C11H20N2O4S3/c1-8(14)13-9(10(15)16)7-19-11(18)12-5-3-4-6-20(2)17/h9H,3-7H2,1-2H3,(H,12,18)(H,13,14)(H,15,16)</td><td>CC(=O)NC(CSC(=S)NCCCCS(C)=O)C(O)=O</td><td>-1.996746037279895</td><td>3.966462346475057</td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/423">Broccoli sprouts</a> / <a href="/food_sources/254">Radish</a></td><td><a href="/entries/PHUB000821">Sulforaphane</a> / <a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000815">
8Glucoraphenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001901">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1915"><td></td><td><a href="/entries/PHUB001902">3,3â²-Diindolylmethane</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(1H-indol-3-ylmethyl)-1H-indole</td><td>PHUB001902</td><td>1915</td><td>246.115698459</td><td>C<sub>17</sub>H<sub>14</sub>N<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td></td><td class="structure"><img data-src="/structures/PHUB001902/image.svg" src="" /></td><td>VFTRKSBEFQDZKX-UHFFFAOYSA-N</td><td>1968-05-4</td><td>3-[(1H-indol-3-yl)methyl]-1H-indole</td><td>246.313</td><td></td><td></td><td></td><td>InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2</td><td>C(C1=CNC2=C1C=CC=C2)C1=CNC2=C1C=CC=C2</td><td></td><td>16.516569971636585</td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/20">Brussel sprouts</a> / <a href="/food_sources/254">Radish</a></td><td><a href="/entries/PHUB002320">Indole-3-carbinol</a> / <a href="/entries/PHUB000801">Glucobrassicin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001902">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1916"><td></td><td><a href="/entries/PHUB001903">Tragopogonic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001903</td><td>1916</td><td>288.063388106</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001903/image.svg" src="" /></td><td>LNNHADLJQPXYGH-UHFFFAOYSA-N</td><td></td><td>2,4-dihydroxy-6-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoic acid</td><td>288.255</td><td>1.18e-01 g/l</td><td>2.35</td><td>-3.39</td><td>InChI=1S/C15H12O6/c16-10-3-1-8(2-4-10)12(18)6-9-5-11(17)7-13(19)14(9)15(20)21/h1-5,7,16-17,19H,6H2,(H,20,21)</td><td>OC(=O)C1=C(O)C=C(O)C=C1CC(=O)C1=CC=C(O)C=C1</td><td>-5.7729917606853345</td><td>2.8835647450691986</td><td><a href="/food_sources/205">Common salsify</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001903">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1917"><td></td><td><a href="/entries/PHUB001904">Thunberginol C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001904</td><td>1917</td><td>272.068473486</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001904/image.svg" src="" /></td><td>WMAITHDYVBQITD-UHFFFAOYSA-N</td><td>147517-06-4</td><td>6,8-dihydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one</td><td>272.256</td><td>1.64e-01 g/l</td><td>2.14</td><td>-3.22</td><td>InChI=1S/C15H12O5/c16-10-3-1-8(2-4-10)13-6-9-5-11(17)7-12(18)14(9)15(19)20-13/h1-5,7,13,16-18H,6H2</td><td>OC1=CC=C(C=C1)C1CC2=C(C(O)=CC(O)=C2)C(=O)O1</td><td>-4.010856615539103</td><td>8.459881804053804</td><td><a href="/food_sources/205">Common salsify</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001904">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1918"><td></td><td><a href="/entries/PHUB001905">Scorzocreticoside I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001905</td><td>1918</td><td>612.205420459</td><td>C<sub>28</sub>H<sub>36</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001905/image.svg" src="" /></td><td>HTUYMKDNLBAKCJ-GONVMGGRSA-N</td><td>393510-25-3</td><td>(3S,4R)-2-(hydroxymethyl)oxane-3,4,5-triol; 7-hydroxy-2-(4-methoxyphenyl)-5-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one</td><td>612.581</td><td>1.22e+00 g/l</td><td>0.40</td><td>-2.56</td><td>InChI=1S/C22H24O10.C6H12O5/c1-29-12-4-2-10(3-5-12)14-8-13(25)18-15(30-14)6-11(24)7-16(18)31-22-21(28)20(27)19(26)17(9-23)32-22;7-1-4-6(10)5(9)3(8)2-11-4/h2-7,14,17,19-24,26-28H,8-9H2,1H3;3-10H,1-2H2/t14?,17?,19-,20+,21?,22-;3?,4?,5-,6-/m11/s1</td><td>OCC1OCC(O)[C@@H](O)[C@@H]1O.COC1=CC=C(C=C1)C1CC(=O)C2=C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C=C(O)C=C2O1</td><td>-2.9810923463048313</td><td>7.81190181875162</td><td><a href="/food_sources/205">Common salsify</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001905">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1919"><td></td><td><a href="/entries/PHUB001906">Elemicin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001906</td><td>1919</td><td>208.109944375</td><td>C<sub>12</sub>H<sub>16</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001906/image.svg" src="" /></td><td>BPLQKQKXWHCZSS-UHFFFAOYSA-N</td><td>487-11-6</td><td>1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene</td><td>208.257</td><td>1.44e-01 g/l</td><td>3.03</td><td>-3.16</td><td>InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3</td><td>COC1=CC(CC=C)=CC(OC)=C1OC</td><td>-4.445994562074973</td><td></td><td><a href="/food_sources/12">Banana</a> / <a href="/food_sources/99">Nutmeg</a></td><td><a href="/entries/PHUB001907">Methoxyeugenol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001906">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1920"><td></td><td><a href="/entries/PHUB001907">Methoxyeugenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001907</td><td>1920</td><td>194.094294311</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td>2,6-Dimethoxychavicol; 4-Allylsyringol</td><td class="structure"><img data-src="/structures/PHUB001907/image.svg" src="" /></td><td>FWMPKHMKIJDEMJ-UHFFFAOYSA-N</td><td>6627-88-9</td><td>2,6-dimethoxy-4-(prop-2-en-1-yl)phenol</td><td>194.23</td><td>1.59e+00 g/l</td><td>2.23</td><td>-2.09</td><td>InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3</td><td>COC1=CC(CC=C)=CC(OC)=C1O</td><td>-4.603104312142213</td><td>9.335852773119273</td><td><a href="/food_sources/12">Banana</a> / <a href="/food_sources/271">Star anise</a></td><td><a href="/entries/PHUB001953">Methoxyeugenol glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001907">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1921"><td></td><td><a href="/entries/PHUB001908">Nasunin (-cis)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001908</td><td>1921</td><td>905.234614129</td><td>C<sub>41</sub>H<sub>45</sub>O<sub>23</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Delphinidin-3-(p-coumaroylrutinoside)-5-glucoside</td><td class="structure"><img data-src="/structures/PHUB001908/image.svg" src="" /></td><td>KDJOUYPDRNJKNA-UHFFFAOYSA-O</td><td></td><td>3-[(6-{[(3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>905.787</td><td>5.15e-01 g/l</td><td>1.49</td><td>-3.26</td><td>InChI=1S/C41H44O23/c1-14-36(63-26(46)7-4-15-2-5-17(42)6-3-15)31(51)35(55)39(58-14)57-13-25-28(48)29(49)33(53)40(62-25)61-24-12-19-22(59-37(24)16-8-20(44)27(47)21(45)9-16)10-18(43)11-23(19)60-41-34(54)30(50)32(52)38(56)64-41/h2-12,14,25,28-36,38-41,48-56H,13H2,1H3,(H4-,42,43,44,45,46,47)/p+1</td><td>CC1OC(OCC2OC(OC3=CC4=C(OC5OC(O)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1</td><td>-3.954307129836016</td><td>6.611860091575505</td><td><a href="/food_sources/61">Eggplant</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001908">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1922"><td></td><td><a href="/entries/PHUB001909">Nasunin (-trans)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001909</td><td>1922</td><td>905.234614129</td><td>C<sub>41</sub>H<sub>45</sub>O<sub>23</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001909/image.svg" src="" /></td><td>KDJOUYPDRNJKNA-UHFFFAOYSA-O</td><td></td><td>3-[(6-{[(3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium</td><td>905.787</td><td>5.15e-01 g/l</td><td>1.49</td><td>-3.26</td><td>InChI=1S/C41H44O23/c1-14-36(63-26(46)7-4-15-2-5-17(42)6-3-15)31(51)35(55)39(58-14)57-13-25-28(48)29(49)33(53)40(62-25)61-24-12-19-22(59-37(24)16-8-20(44)27(47)21(45)9-16)10-18(43)11-23(19)60-41-34(54)30(50)32(52)38(56)64-41/h2-12,14,25,28-36,38-41,48-56H,13H2,1H3,(H4-,42,43,44,45,46,47)/p+1</td><td>CC1OC(OCC2OC(OC3=CC4=C(OC5OC(O)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1</td><td>-3.954307129836016</td><td>6.611860091575505</td><td><a href="/food_sources/61">Eggplant</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001909">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1923"><td></td><td><a href="/entries/PHUB001910">6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001910</td><td>1923</td><td>202.110613079</td><td>C<sub>12</sub>H<sub>14</sub>N<sub>2</sub>O</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001910/image.svg" src="" /></td><td>GHKJDZJAHHVUTD-UHFFFAOYSA-N</td><td></td><td>1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-6-ol</td><td>202.257</td><td>5.26e-01 g/l</td><td>1.57</td><td>-2.59</td><td>InChI=1S/C12H14N2O/c1-7-12-9(4-5-13-7)10-6-8(15)2-3-11(10)14-12/h2-3,6-7,13-15H,4-5H2,1H3</td><td>CC1NCCC2=C1NC1=CC=C(O)C=C21</td><td>9.02852349454316</td><td>9.709699625617514</td><td><a href="/food_sources/12">Banana</a> / <a href="/food_sources/85">Kiwi</a> / <a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB001954">6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001910">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1924"><td></td><td><a href="/entries/PHUB001911">Phylloquinone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001911</td><td>1924</td><td>450.349780721</td><td>C<sub>31</sub>H<sub>46</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Phyllohydroquinone; Phytomenadione; Phytonadione; Vitamin K1</td><td class="structure"><img data-src="/structures/PHUB001911/image.svg" src="" /></td><td>MBWXNTAXLNYFJB-UHFFFAOYSA-N</td><td>84-80-0</td><td>2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)-1,4-dihydronaphthalene-1,4-dione</td><td>450.707</td><td>5.92e-05 g/l</td><td>8.48</td><td>-6.88</td><td>InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3</td><td>CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O</td><td>-7.22434341203462</td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/329">Canola oil</a> / <a href="/food_sources/23">Carrot</a> / <a href="/food_sources/367">Celery leaves</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/56">Cucumber</a> / <a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/298">Green tea</a> / <a href="/food_sources/89">Lettuce</a> / <a href="/food_sources/102">Olive oil</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/114">Pepper</a> / <a href="/food_sources/122">Potato</a> / <a href="/food_sources/254">Radish</a> / <a href="/food_sources/326">soybean oil</a> / <a href="/food_sources/140">Spinach</a> / <a href="/food_sources/150">Sweet potato</a> / <a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB002090">2-methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone</a> / <a href="/entries/PHUB002091">2-methyl-3-(3'-3'-carboxymethylpropyl)-1,4-naphthoquinone</a> / <a href="/entries/PHUB001911">Phylloquinone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001911">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1925"><td></td><td><a href="/entries/PHUB001912">Pheophytin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001912</td><td>1925</td><td>870.565921499</td><td>C<sub>55</sub>H<sub>74</sub>N<sub>4</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Chlorophylls</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001912/image.svg" src="" /></td><td>CQIKWXUXPNUNDV-QJHQLPLASA-N</td><td>603-17-8</td><td>methyl (21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaene-3-carboxylate</td><td>871.22</td><td>1.91e-04 g/l</td><td>8.56</td><td>-6.66</td><td>InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51?/m1/s1</td><td>CCC1=C(C)\C2=C\C3=C(C=C)C(C)=C(N3)\C=C3/N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C)C3=C4N\C(=C/C1=N2)C(C)=C4C(=O)C3C(=O)OC</td><td>4.9482287372694405</td><td>11.775447866729511</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001912">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1926"><td></td><td><a href="/entries/PHUB001913">Pheophorbide a</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001913</td><td>1926</td><td>592.268570275</td><td>C<sub>35</sub>H<sub>36</sub>N<sub>4</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Chlorophylls</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001913/image.svg" src="" /></td><td>NSFSLUUZQIAOOX-QEWKCGBTSA-N</td><td>15664-29-6</td><td>3-[(3R,21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoic acid</td><td>592.696</td><td>1.63e-02 g/l</td><td>4.53</td><td>-4.56</td><td>InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1</td><td>CCC1=C(C)\C2=C\C3=C(C=C)C(C)=C(N3)\C=C3/N=C([C@@H](CCC(O)=O)[C@@H]3C)C3=C4N\C(=C/C1=N2)C(C)=C4C(=O)[C@@H]3C(=O)OC</td><td>4.975507385799566</td><td>3.6100110770847222</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001913">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1928"><td></td><td><a href="/entries/PHUB001915">Diosgenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001915</td><td>1928</td><td>414.313395212</td><td>C<sub>27</sub>H<sub>42</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td>Saponins (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001915/image.svg" src="" /></td><td>WQLVFSAGQJTQCK-VKROHFNGSA-N</td><td>512-04-9</td><td>(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-16'-ol</td><td>414.63</td><td>5.52e-04 g/l</td><td>4.15</td><td>-5.88</td><td>InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1</td><td>[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2</td><td>
8-1.3962771891939112</td><td>18.204289505503816</td><td><a href="/food_sources/23">Carrot</a> / <a href="/food_sources/289">Yam</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001915">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1929"><td></td><td><a href="/entries/PHUB001916">caffeic acid-3'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4â²-Hydroxycinnamic acid-3â²-glucuronide</td><td>PHUB001916</td><td>1929</td><td>356.074346715</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001916/image.svg" src="" /></td><td>BSOMSDFTZKNUHY-DUXPYHPUSA-N</td><td>1093679-73-2</td><td>6-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>356.283</td><td>6.29e+00 g/l</td><td>0.69</td><td>-1.75</td><td>InChI=1S/C15H16O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+</td><td>OC1C(OC2=C(O)C=CC(\C=C\C(O)=O)=C2)OC(C(O)C1O)C(O)=O</td><td>-3.6868279771414696</td><td>2.8794562240175425</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002638">Cranberry (Poly)phenols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001916">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1930"><td></td><td><a href="/entries/PHUB001917">caffeic acid-4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Hydroxycinnamic acid-4'-glucuronide</td><td>PHUB001917</td><td>1930</td><td>356.074346715</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001917/image.svg" src="" /></td><td>LTGOIJNQWZWJRF-DUXPYHPUSA-N</td><td></td><td>6-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>356.283</td><td>6.10e+00 g/l</td><td>0.71</td><td>-1.77</td><td>InChI=1S/C15H16O10/c16-7-5-6(2-4-9(17)18)1-3-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+</td><td>OC1C(OC2=C(O)C=C(\C=C\C(O)=O)C=C2)OC(C(O)C1O)C(O)=O</td><td>-3.686827975281513</td><td>2.8539449014272864</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002638">Cranberry (Poly)phenols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001917">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1931"><td></td><td><a href="/entries/PHUB001918">caffeic acid-4-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Hydroxycinnamic acid-4'-sulfate</td><td>PHUB001918</td><td>1931</td><td>259.999073772</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001918/image.svg" src="" /></td><td>SNVAIAITQIIEMQ-DUXPYHPUSA-N</td><td></td><td>(2E)-3-[3-hydroxy-4-(sulfooxy)phenyl]prop-2-enoic acid</td><td>260.22</td><td>7.28e-01 g/l</td><td>-0.36</td><td>-2.55</td><td>InChI=1S/C9H8O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+</td><td>OC(=O)\C=C\C1=CC(O)=C(OS(O)(=O)=O)C=C1</td><td>-4.428269762923367</td><td>-2.3524301466084654</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000634">Rosmarinic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a> / <a href="/entries/PHUB002644">Grape (Poly)phenols</a> / <a href="/entries/PHUB001447">Coffee hydroxycinnamates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001918">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1933"><td></td><td><a href="/entries/PHUB001920">3'-Methoxy-4'-hydroxyphenylacetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3â²-Methoxy-4â²-hydroxyphenylacetic acid</td><td>PHUB001920</td><td>1933</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001920/image.svg" src="" /></td><td>QRMZSPFSDQBLIX-UHFFFAOYSA-N</td><td></td><td>2-(4-hydroxy-3-methoxyphenyl)acetic acid</td><td>182.175</td><td>2.72e+00 g/l</td><td>1.02</td><td>-1.83</td><td>InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)</td><td>COC1=CC(CC(O)=O)=CC=C1O</td><td>-4.892538176084046</td><td>3.7448569898637887</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001920">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1934"><td></td><td><a href="/entries/PHUB001921">3-Hydroxybenzoic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Hydroxybenzoic acid-4-sulfate</td><td>PHUB001921</td><td>1934</td><td>247.999073772</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001921/image.svg" src="" /></td><td>ZQTJTTSZJNFQGJ-UHFFFAOYSA-N</td><td></td><td>2-[3-hydroxy-4-(sulfooxy)phenyl]acetic acid</td><td>248.21</td><td>3.02e+00 g/l</td><td>-0.78</td><td>-1.91</td><td>InChI=1S/C8H8O7S/c9-6-3-5(4-8(10)11)1-2-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)</td><td>OC(=O)CC1=CC(O)=C(OS(O)(=O)=O)C=C1</td><td>-4.421460085600957</td><td>-2.3575815891937606</td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001921">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1936"><td></td><td><a href="/entries/PHUB001923">Apigenin 7-O-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001923</td><td>1936</td><td>578.163555646</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Apigenin 7-glycosides; 7-O-[α-L-Rhamnopyranosyl-(1â6)-β-D-glucopyranoside]; Isorhoifolin</td><td class="structure"><img data-src="/structures/PHUB001923/image.svg" src="" /></td><td>FKIYLTVJPDLUDL-WCDRIBADSA-N</td><td>552-57-8</td><td>5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>578.523</td><td>1.91e+00 g/l</td><td>-0.00</td><td>-2.48</td><td>InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18-,20-,21-,22+,23+,24+,25-,26+,27-/m1/s1</td><td>C[C@H]1O[C@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(O)=C3)C(=O)C=C(O4)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O</td><td>-3.612182351683661</td><td>7.297634775502368</td><td><a href="/food_sources/219">Globe artichoke</a> / <a href="/food_sources/343">Olive, black</a> / <a href="/food_sources/116">Peppermint</a></td><td><a href="/entries/PHUB000861">Apigenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001923">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1937"><td></td><td><a href="/entries/PHUB001924">Cynaropicrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001924</td><td>1937</td><td>346.141638428</td><td>C<sub>19</sub>H<sub>22</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001924/image.svg" src="" /></td><td>KHSCYOFDKADJDJ-NQLMQOPMSA-N</td><td>35730-78-0</td><td>(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate</td><td>346.379</td><td>1.60e+00 g/l</td><td>0.54</td><td>-2.34</td><td>InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1</td><td>[H][C@@]12C[C@H](O)C(=C)[C@]1([H])[C@@]1([H])OC(=O)C(=C)[C@]1([H])[C@H](CC2=C)OC(=O)C(=C)CO</td><td>-2.844123071929464</td><td>14.42236521753816</td><td><a href="/food_sources/219">Globe artichoke</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001924">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1938"><td></td><td><a href="/entries/PHUB001925">Dehydrocyanaropicrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001925</td><td>1938</td><td>344.125988364</td><td>C<sub>19</sub>H<sub>20</sub>O<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001925/image.svg" src="" /></td><td>MSTZNVVCBOEAGA-UHFFFAOYSA-N</td><td></td><td>
83,6,9-trimethylidene-2,8-dioxo-dodecahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate</td><td>344.363</td><td>8.22e-01 g/l</td><td>0.86</td><td>-2.62</td><td>InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2</td><td>OCC(=C)C(=O)OC1CC(=C)C2CC(=O)C(=C)C2C2OC(=O)C(=C)C12</td><td>-2.844123071991972</td><td>14.896377153746238</td><td><a href="/food_sources/219">Globe artichoke</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001925">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1939"><td></td><td><a href="/entries/PHUB001926">m-coumaric acid 3-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001926</td><td>1939</td><td>244.004159152</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>3-Hydroxycinnamic acid 3-O-sulfate; 3-Hydroxycinnamic acid 3-O-sulphate</td><td class="structure"><img data-src="/structures/PHUB001926/image.svg" src="" /></td><td>YPXHXDXMTWPQTO-SNAWJCMRSA-N</td><td></td><td>(2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid</td><td>244.22</td><td></td><td></td><td></td><td>InChI=1S/C9H8O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)/b5-4+</td><td>OC(=O)\C=C\C1=CC(OS(O)(=O)=O)=CC=C1</td><td></td><td>-2.1474736995432595</td><td></td><td><a href="/entries/PHUB000634">Rosmarinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001926">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1940"><td></td><td><a href="/entries/PHUB001927">Urolithin M6</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,8,9,10-tetrahydroxy-urolithin</td><td>PHUB001927</td><td>1940</td><td>260.032087978</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,8,9,10-tetrahydroxy urolithin; 3,8,9,10-tetrahydroxy-6H-benzo[c]chromen-6-one</td><td class="structure"><img data-src="/structures/PHUB001927/image.svg" src="" /></td><td>LGXFTZDSEIQMMP-UHFFFAOYSA-N</td><td>1006683-97-1</td><td>3,8,9,10-tetrahydroxy-6H-benzo[c]chromen-6-one</td><td>260.201</td><td>4.72e-01 g/l</td><td>1.96</td><td>-2.74</td><td>InChI=1S/C13H8O6/c14-5-1-2-6-9(3-5)19-13(18)7-4-8(15)11(16)12(17)10(6)7/h1-4,14-17H</td><td>OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1O)C(=O)O2</td><td>-6.73268664037721</td><td>7.027119663803604</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001927">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1941"><td></td><td><a href="/entries/PHUB001928">Urolithin E</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001928</td><td>1941</td><td>260.032087978</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,4,8,10,terahydroxy urolithin</td><td class="structure"><img data-src="/structures/PHUB001928/image.svg" src="" /></td><td>UAOUKWCOBPGDDF-UHFFFAOYSA-N</td><td></td><td>3,4,8,10-tetrahydroxy-6H-benzo[c]chromen-6-one</td><td>260.201</td><td>4.65e-01 g/l</td><td>1.93</td><td>-2.75</td><td>InChI=1S/C13H8O6/c14-5-3-7-10(9(16)4-5)6-1-2-8(15)11(17)12(6)19-13(7)18/h1-4,14-17H</td><td>OC1=CC2=C(C(O)=C1)C1=C(OC2=O)C(O)=C(O)C=C1</td><td>
8-4.688167755291458</td><td>6.911551735232954</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001928">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1942"><td></td><td><a href="/entries/PHUB001929">Urolithin M6R</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001929</td><td>1942</td><td>260.032087978</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>4,8,9,10 tertahydroxy urolithin</td><td class="structure"><img data-src="/structures/PHUB001929/image.svg" src="" /></td><td>KJYATAZQTTUJHP-UHFFFAOYSA-N</td><td></td><td>4,8,9,10-tetrahydroxy-6H-benzo[c]chromen-6-one</td><td>260.201</td><td>5.35e-01 g/l</td><td>1.99</td><td>-2.69</td><td>InChI=1S/C13H8O6/c14-7-3-1-2-5-9-6(13(18)19-12(5)7)4-8(15)10(16)11(9)17/h1-4,14-17H</td><td>OC1=CC=CC2=C1OC(=O)C1=C2C(O)=C(O)C(O)=C1</td><td>-4.368511973509058</td><td>7.113231254175636</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001929">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1943"><td></td><td><a href="/entries/PHUB001930">Urolithin F</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001930</td><td>1943</td><td>260.032087978</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,4,9,10 terrahydroxy urolithin</td><td class="structure"><img data-src="/structures/PHUB001930/image.svg" src="" /></td><td>QDCDHGUGRIHLOR-UHFFFAOYSA-N</td><td></td><td>3,4,9,10-tetrahydroxy-6H-benzo[c]chromen-6-one</td><td>260.201</td><td>5.51e-01 g/l</td><td>1.96</td><td>-2.67</td><td>InChI=1S/C13H8O6/c14-7-4-2-6-9(10(7)16)5-1-3-8(15)11(17)12(5)19-13(6)18/h1-4,14-17H</td><td>OC1=C(O)C2=C(C=C1)C1=C(C=CC(O)=C1O)C(=O)O2</td><td>-4.688489826611869</td><td>7.159233566301126</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001930">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1944"><td></td><td><a href="/entries/PHUB001931">Urolithin M7</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,8,10-trihydroxy-urolithin</td><td>PHUB001931</td><td>1944</td><td>244.037173358</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,8,10 trihydroxy urolithin; 3,8,10-trihydroxy-6H-benzo[c]chromen-6-one</td><td class="structure"><img data-src="/structures/PHUB001931/image.svg" src="" /></td><td>AKJHSPSPAOUDFT-UHFFFAOYSA-N</td><td>531512-26-2</td><td>3,8,10-trihydroxy-6H-benzo[c]chromen-6-one</td><td>244.202</td><td>4.16e-01 g/l</td><td>2.22</td><td>-2.77</td><td>InChI=1S/C13H8O5/c14-6-1-2-8-11(5-6)18-13(17)9-3-7(15)4-10(16)12(8)9/h1-5,14-16H</td><td>OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1O)C(=O)O2</td><td>-6.90863745503257</td><td>6.902075460530994</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001931">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1945"><td></td><td><a href="/entries/PHUB001932">Urolithin CR</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001932</td><td>1945</td><td>244.037173358</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>4,8,9 trihydroxy urolithin</td><td class="structure"><img data-src="/structures/PHUB001932/image.svg" src="" /></td><td>CGAMJZWNUGVGRO-UHFFFAOYSA-N</td><td></td><td>4,8,9-trihydroxy-6H-benzo[c]chromen-6-one</td><td>244.202</td><td>4.36e-01 g/l</td><td>2.19</td><td>-2.75</td><td>InChI=1S/C13H8O5/c14-9-3-1-2-6-7-4-10(15)11(16)5-8(7)13(17)18-12(6)9/h1-5,14-16H</td><td>OC1=CC2=C(C=C1O)C1=C(OC2=O)C(O)=CC=C1</td><td>-4.366220461535047</td><td>7.406030064964707</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001932">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1946"><td></td><td><a href="/entries/PHUB001933">Urolithin M7R</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001933</td><td>1946</td><td>244.037173358</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>4,8,10 trihydroxy urolithin</td><td class="structure"><img data-src="/structures/PHUB001933/image.svg" src="" /></td><td>QDNNGFSCGOXJFB-UHFFFAOYSA-N</td><td></td><td>4,8,10-trihydroxy-6H-benzo[c]chromen-6-one</td><td>244.202</td><td>4.86e-01 g/l</td><td>2.10</td><td>-2.70</td><td>InChI=1S/C13H8O5/c14-6-4-8-11(10(16)5-6)7-2-1-3-9(15)12(7)18-13(8)17/h1-5,14-16H</td><td>OC1=CC2=C(C(O)=C1)C1=C(OC2=O)C(O)=CC=C1</td><td>-4.368264105979227</td><td>6.921284907201889</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001933">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1947"><td></td><td><a href="/entries/PHUB001934">4,9,10-Trihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001934</td><td>1947</td><td>244.037173358</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001934/image.svg" src="" /></td><td>HAEQUWQZLFLSTQ-UHFFFAOYSA-N</td><td></td><td>4,9,10-trihydroxy-6H-benzo[c]chromen-6-one</td><td>244.202</td><td>5.19e-01 g/l</td><td>2.04</td><td>-2.67</td><td>InChI=1S/C13H8O5/c14-8-5-4-7-10(11(8)16)6-2-1-3-9(15)12(6)18-13(7)17/h1-5,14-16H</td><td>OC1=CC=CC2=C1OC(=O)C1=C2C(O)=C(O)C=C1</td><td>-4.36862251225279</td><td>7.252727117963128</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001934">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1949"><td></td><td><a href="/entries/PHUB001936">3,4,9-Trihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001936</td><td>1949</td><td>244.037173358</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001936/image.svg" src="" /></td><td>OQLAFNHSUOLEAD-UHFFFAOYSA-N</td><td></td><td>3,4,9-trihydroxy-6H-benzo[c]chromen-6-one</td><td>244.202</td><td>4.33e-01 g/l</td><td>2.22</td><td>-2.75</td><td>InChI=1S/C13H8O5/c14-6-1-2-8-9(5-6)7-3-4-10(15)11(16)12(7)18-13(8)17/h1-5,14-16H</td><td>OC1=CC2=C(C=C1)C(=O)OC1=C2C=CC(O)=C1O</td><td>-4.686226912721404</td><td>7.710620226888939</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001936">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1950"><td></td><td><a href="/entries/PHUB001937">Urolithin G</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4,8 trihydroxy urolithin</td><td>PHUB001937</td><td>1950</td><td>244.037173358</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001937/image.svg" src="" /></td><td>YDELCCFAMXESST-UHFFFAOYSA-N</td><td></td><td>3,4,8-trihydroxy-6H-benzo[c]chromen-6-one</td><td>244.202</td><td>4.13e-01 g/l</td><td>2.22</td><td>-2.77</td><td>InChI=1S/C13H8O5/c14-6-1-2-7-8-3-4-10(15)11(16)12(8)18-13(17)9(7)5-6/h1-5,14-16H</td><td>OC1=CC2=C(C=C1)C1=C(OC2=O)C(O)=C(O)C=C1</td><td>-4.6858984049705725</td><td>7.243628456883448</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001937">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1951"><td></td><td><a href="/entries/PHUB001938">8,9,10-Trihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001938</td><td>1951</td><td>244.037173358</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001938/image.svg" src="" /></td><td>KJVXUMGOGWUTMT-UHFFFAOYSA-N</td><td></td><td>8,9,10-trihydroxy-6H-benzo[c]chromen-6-one</td><td>244.202</td><td>4.92e-01 g/l</td><td>2.00</td><td>-2.70</td><td>InChI=1S/C13H8O5/c14-8-5-7-10(12(16)11(8)15)6-3-1-2-4-9(6)18-13(7)17/h1-5,14-16H</td><td>OC1=CC2=C(C(O)=C1O)C1=C(OC2=O)C=CC=C1</td><td>-6.7327736545967305</td><td>7.145876707076685</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001938">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1952"><td></td><td><a href="/entries/PHUB001939">3,4,10-Trihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001939</td><td>1952</td><td>244.037173358</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001939/image.svg" src="" /></td><td>YPSLXZBZWGFGBO-UHFFFAOYSA-N</td><td></td><td>3,4,10-trihydroxy-6H-benzo[c]chromen-6-one</td><td>244.202</td><td>4.98e-01 g/l</td><td>2.05</td><td>-2.69</td><td>InChI=1S/C13H8O5/c14-8-3-1-2-7-10(8)6-4-5-9(15)11(16)12(6)18-13(7)17/h1-5,14-16H</td><td>OC1=CC=CC2=C1C1=C(OC2=O)C(O)=C(O)C=C1</td><td>-4.688262793245917</td><td>7.034901135461112</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001939">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1953"><td></td><td><a href="/entries/PHUB001940">Urolithin AR</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001940</td><td>1953</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>4,8 dihydroxy urolithin</td><td class="structure"><img data-src="/structures/PHUB001940/image.svg" src="" /></td><td>RQCIOPIDAACJPK-UHFFFAOYSA-N</td><td></td><td>4,8-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>2.76e-01 g/l</td><td>1.67</td><td>-2.92</td><td>InChI=1S/C13H8O4/c14-7-4-5-8-9-2-1-3-11(15)12(9)17-13(16)10(8)6-7/h1-6,14-15H</td><td>OC1=CC2=C(C=C1)C1=C(OC2=O)C(O)=CC=C1</td><td>-4.365970153958104</td><td>7.290518568827842</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001940">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1954"><td></td><td><a href="/entries/PHUB001941">Isourolithin AR</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001941</td><td>1954</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>4,9 dihydroxy urolithin</td><td class="structure"><img data-src="/structures/PHUB001941/image.svg" src="" /></td><td>JQZHONBMRSIPKR-UHFFFAOYSA-N</td><td></td><td>4,9-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>2.93e-01 g/l</td><td>1.73</td><td>-2.89</td><td>InChI=1S/C13H8O4/c14-7-4-5-9-10(6-7)8-2-1-3-11(15)12(8)17-13(9)16/h1-6,14-15H</td><td>OC1=CC2=C(C=C1)C(=O)OC1=C2C=CC=C1O</td><td>-4.366328186629049</td><td>8.258287672898275</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001941">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1955"><td></td><td><a href="/entries/PHUB001942">8,10-Dihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001942</td><td>1955</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001942/image.svg" src="" /></td><td>DYWXBBLOQHWJTM-UHFFFAOYSA-N</td><td></td><td>8,10-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>
83.31e-01 g/l</td><td>1.58</td><td>-2.84</td><td>InChI=1S/C13H8O4/c14-7-5-9-12(10(15)6-7)8-3-1-2-4-11(8)17-13(9)16/h1-6,14-15H</td><td>OC1=CC2=C(C(O)=C1)C1=C(OC2=O)C=CC=C1</td><td>-6.910463769098476</td><td>6.95698626349441</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001942">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1956"><td></td><td><a href="/entries/PHUB001943">3,10-Dihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001943</td><td>1956</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001943/image.svg" src="" /></td><td>LZKXOYQKPLJTBO-UHFFFAOYSA-N</td><td></td><td>3,10-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>3.35e-01 g/l</td><td>1.75</td><td>-2.83</td><td>InChI=1S/C13H8O4/c14-7-4-5-8-11(6-7)17-13(16)9-2-1-3-10(15)12(8)9/h1-6,14-15H</td><td>OC1=CC2=C(C=C1)C1=C(C=CC=C1O)C(=O)O2</td><td>-7.060219946843354</td><td>7.006927016121719</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001943">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1957"><td></td><td><a href="/entries/PHUB001944">4,10-Dihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001944</td><td>1957</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001944/image.svg" src="" /></td><td>YTFFUFMLOABUMM-UHFFFAOYSA-N</td><td></td><td>4,10-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>3.54e-01 g/l</td><td>1.54</td><td>-2.81</td><td>InChI=1S/C13H8O4/c14-9-5-2-4-8-11(9)7-3-1-6-10(15)12(7)17-13(8)16/h1-6,14-15H</td><td>OC1=CC=CC2=C1OC(=O)C1=C2C(O)=CC=C1</td><td>-4.368371445006426</td><td>7.075268758206331</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001944">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1958"><td></td><td><a href="/entries/PHUB001945">3,4-Dihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001945</td><td>1958</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001945/image.svg" src="" /></td><td>XVLDXKNPWFEZHU-UHFFFAOYSA-N</td><td></td><td>3,4-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>2.95e-01 g/l</td><td>1.73</td><td>-2.89</td><td>InChI=1S/C13H8O4/c14-10-6-5-8-7-3-1-2-4-9(7)13(16)17-12(8)11(10)15/h1-6,14-15H</td><td>OC1=C(O)C2=C(C=C1)C1=C(C=CC=C1)C(=O)O2</td><td>-4.6859900699412655</td><td>7.89026547418587</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001945">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1959"><td></td><td><a href="/entries/PHUB001946">9,10-Dihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001946</td><td>1959</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001946/image.svg" src="" /></td><td>UTEGQKZBAHXWAL-UHFFFAOYSA-N</td><td></td><td>9,10-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>3.41e-01 g/l</td><td>1.63</td><td>-2.83</td><td>InChI=1S/C13H8O4/c14-9-6-5-8-11(12(9)15)7-3-1-2-4-10(7)17-13(8)16/h1-6,14-15H</td><td>OC1=C(O)C2=C(C=C1)C(=O)OC1=C2C=CC=C1</td><td>-6.414300021048364</td><td>7.2892979403907585</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001946">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1960"><td></td><td><a href="/entries/PHUB001947">8,9-Dihydroxyurolithin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001947</td><td>1960</td><td>228.042258738</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001947/image.svg" src="" /></td><td>RNGUQXOVPRCDIT-UHFFFAOYSA-N</td><td></td><td>8,9-dihydroxy-6H-benzo[c]chromen-6-one</td><td>228.203</td><td>2.94e-01 g/l</td><td>1.67</td><td>-2.89</td><td>InChI=1S/C13H8O4/c14-10-5-8-7-3-1-2-4-12(7)17-13(16)9(8)6-11(10)15/h1-6,14-15H</td><td>OC1=CC2=C(C=C1O)C1=C(OC2=O)C=CC=C1</td><td>-6.417886335715508</td><td>7.4398106974854805</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001947">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1962"><td></td><td><a href="/entries/PHUB001949">Urolithin M5</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001949</td><td>1962</td><td>276.027002598</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>3,4,8,9,10 pentahydroxy urolithin</td><td class="structure"><img data-src="/structures/PHUB001949/image.svg" src="" /></td><td>ZELMDXUEWHBWPN-UHFFFAOYSA-N</td><td></td><td>3,4,8,9,10-pentahydroxy-6H-benzo[c]chromen-6-one</td><td>276.2</td><td>6.26e-01 g/l</td><td>1.75</td><td>-2.64</td><td>InChI=1S/C13H8O7/c14-6-2-1-4-8-5(3-7(15)9(16)11(8)18)13(19)20-12(4)10(6)17/h1-3,14-18H</td><td>OC1=CC2=C(C(O)=C1O)C1=C(OC2=O)C(O)=C(O)C=C1</td><td>-4.688391931732056</td><td>7.060879797726931</td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001949">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1963"><td></td><td><a href="/entries/PHUB001950">Salsolinol-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001950</td><td>1963</td><td>259.051443697</td><td>C<sub>10</sub>H<sub>13</sub>NO<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td></td><td class="structure"><img data-src="/structures/PHUB001950/image.svg" src="" /></td><td>DFPNWHGWIXZYTR-LURJTMIESA-N</td><td></td><td>[(1S)-7-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl]oxidanesulfonic acid</td><td>259.28</td><td>1.40e+00 g/l</td><td>-1.08</td><td>-2.27</td><td>InChI=1S/C10H13NO5S/c1-6-8-5-9(12)10(16-17(13,14)15)4-7(8)2-3-11-6/h4-6,11-12H,2-3H2,1H3,(H,13,14,15)/t6-/m0/s1</td><td>C[C@@H]1NCCC2=C1C=C(O)C(OS(O)(=O)=O)=C2</td><td>8.514430187268085</td><td>-2.0760512044341493</td><td></td><td><a href="/entries/PHUB000834">(-)-Salsolinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001950">Show Entry</a></td></tr><tr data-biomarker="biomarker" data-kind="metabolite" id="1964"><td></td><td><a href="/entries/PHUB001951">Dopamine 3-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span> <span title="biomarker" class="label-biomarker"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001951</td><td>1964</td><td>233.035793632</td><td>C<sub>8</sub>H<sub>11</sub>NO<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amine metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dopamine 3-sulfate</td><td class="structure"><img data-src="/structures/PHUB001951/image.svg" src="" /></td><td>NZKRYJGNYPYXJZ-UHFFFAOYSA-N</td><td>51317-41-0</td><td>[5-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid</td><td>233.24</td><td>4.06e+00 g/l</td><td>-1.22</td><td>-1.76</td><td>InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)</td><td>NCCC1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td>9.690975470011407</td><td>-2.0656130835308564</td><td></td><td><a href="/entries/PHUB000775">Dopamine</a></td><td>Banana</td><td class="shower"><a class="btn-show" href="/entries/PHUB001951">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1965"><td></td><td><a href="/entries/PHUB001952">Dopamine 4-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001952</td><td>1965</td><td>233.035793632</td><td>C<sub>8</sub>H<sub>11</sub>NO<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amine metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Hydroxytyramine-4-O-sulfate; Dopamine 4-sulfate</td><td class="structure"><img data-src="/structures/PHUB001952/image.svg" src="" /></td><td>DEKNNWJXAQTLFA-UHFFFAOYSA-N</td><td>38339-02-5</td><td>[4-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid</td><td>233.24</td><td>3.76e+00 g/l</td><td>-1.19</td><td>-1.79</td><td>InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)</td><td>NCCC1=CC=C(OS(O)(=O)=O)C(O)=C1</td><td>9.635548288610206</td><td>-2.0836583133295066</td><td></td><td><a href="/entries/PHUB000775">Dopamine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001952">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1966"><td></td><td><a href="/entries/PHUB001953">Methoxyeugenol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001953</td><td>1966</td><td>370.126382288</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001953/image.svg" src="" /></td><td>APLPMGGRFBGNJD-JZJWZLNFSA-N</td><td></td><td>(2S,4S)-6-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>370.354</td><td>6.67e+00 g/l</td><td>0.43</td><td>-1.74</td><td>InChI=1S/C17H22O9/c1-4-5-8-6-9(23-2)14(10(7-8)24-3)25-17-13(20)11(18)12(19)15(26-17)16(21)22/h4,6-7,11-13,15,17-20H,1,5H2,2-3H3,(H,21,22)/t11-,12?,13?,15-,17?/m0/s1</td><td>COC1=CC(CC=C)=CC(OC)=C1OC1O[C@@H](C(O)[C@H](O)C1O)C(O)=O</td><td>-3.68682919947748</td><td>3.055924960255488</td><td></td><td><a href="/entries/PHUB001907">Methoxyeugenol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001953">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1967"><td></td><td><a href="/entries/PHUB001954">6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001954</td><td>1967</td><td>282.067428113</td><td>C<sub>12</sub>H<sub>14</sub>N<sub>2</sub>O<sub>4</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td></td><td class="structure"><img data-src="/structures/PHUB001954/image.svg" src="" /></td><td>BQROOOCQKJXHAB-UHFFFAOYSA-N</td><td></td><td>{1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-6-yl}oxidanesulfonic acid</td><td>282.31</td><td>1.73e-01 g/l</td><td>-0.52</td><td>-3.21</td><td>InChI=1S/C12H14N2O4S/c1-7-12-9(4-5-13-7)10-6-8(18-19(15,16)17)2-3-11(10)14-12/h2-3,6-7,13-14H,4-5H2,1H3,(H,15,16,17)</td><td>CC1NCCC2=C1NC1=CC=C(OS(O)(=O)=O)C=C21</td><td>9.1672962641666</td><td>-1.6334205928507293</td><td></td><td><a href="/entries/PHUB001910">6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001954">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1968"><td></td><td><a href="/entries/PHUB001955">Citrulline</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001955</td><td>1968</td><td>175.095691291</td><td>C<sub>6</sub>H<sub>13</sub>N<sub>3</sub>O<sub>3</sub></td><td>N-containing compounds</td><td>Amino acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001955/image.svg" src="" /></td><td>RHGKLRLOHDJJDR-UHFFFAOYSA-N</td><td>627-77-0</td><td>2-amino-5-(carbamoylamino)pentanoic acid</td><td>175.188</td><td>2.18e+01 g/l</td><td>-3.27</td><td>-0.90</td><td>InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)</td><td>NC(CCCNC(N)=O)C(O)=O</td><td>9.225134668659093</td><td>2.2682474980163243</td><td><a href="/food_sources/154">Watermelon</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001955">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1969"><td></td><td><a href="/entries/PHUB001956">Perseitol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001956</td><td>1969</td><td>212.089602855</td><td>C<sub>7</sub>H<sub>16</sub>O<sub>7</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001956/image.svg" src="" /></td><td>OXQKEKGBFMQTML-BIVRFLNRSA-N</td><td>527-06-0</td><td>(2R,3R,4R,5R,6S)-heptane-1,2,3,4,5,6,7-heptol</td><td>212.198</td><td>2.89e+02 g/l</td><td>-2.71</td><td>0.13</td><td>InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4+,5-,6-,7+/m1/s1</td><td>OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO</td><td>-2.974211733461736</td><td>12.460608929313874</td><td><a href="/food_sources/10">Avocado</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001956">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1970"><td></td><td><a href="/entries/PHUB001957">2-isopropylmalic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001957</td><td>1970</td><td>176.068473486</td><td>C<sub>7</sub>H<sub>12</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001957/image.svg" src="" /></td><td>BITYXLXUCSKTJS-UHFFFAOYSA-N</td><td></td><td>2-hydroxy-2-(propan-2-yl)butanedioic acid</td><td>176.168</td><td>1.81e+02 g/l</td><td>-0.29</td><td>0.01</td><td>InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)</td><td>CC(C)C(O)(CC(O)=O)C(O)=O</td><td>-4.140578200901909</td><td>3.629835264652625</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001957">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1971"><td></td><td><a href="/entries/PHUB001958">3-Methoxytyramine sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001958</td><td>1971</td><td>247.051443697</td><td>C<sub>9</sub>H<sub>13</sub>NO<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001958/image.svg" src="" /></td><td>ORZHQEJEAKXCJA-UHFFFAOYSA-N</td><td></td><td>[4-(2-aminoethyl)-2-methoxyphenyl]oxidanesulfonic acid</td><td>247.27</td><td>8.32e-01 g/l</td><td>-1.06</td><td>-2.47</td><td>InChI=1S/C9H13NO5S/c1-14-9-6-7(4-5-10)2-3-8(9)15-16(11,12)13/h2-3,6H,4-5,10H2,1H3,(H,11,12,13)</td><td>COC1=CC(CCN)=CC=C1OS(O)(=O)=O</td><td>9.77317134350388</td><td>-1.9812815045477903</td><td></td><td><a href="/entries/PHUB000775">Dopamine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001958">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1972"><td></td><td><a href="/entries/PHUB001959">Acetylphenol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001959</td><td>1972</td><td>216.009244532</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-acetylphenyl sulfate</td><td class="structure"><img data-src="/structures/PHUB001959/image.svg" src="" /></td><td>HOFGLAYWQRGTKC-UHFFFAOYSA-N</td><td></td><td>(4-acetylphenyl)oxidanesulfonic acid</td><td>216.21</td><td></td><td></td><td></td><td>InChI=1S/C8H8O5S/c1-6(9)7-2-4-8(5-3-7)13-14(10,11)12/h2-5H,1H3,(H,10,11,12)</td><td>CC(=O)C1=CC=C(OS(O)(=O)=O)C=C1</td><td>-7.384566775030167</td><td>-2.3236138229286736</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001959">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1973"><td></td><td><a href="/entries/PHUB001960">Tyramine O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001960</td><td>1973</td><td>217.040879012</td><td>C<sub>8</sub>H<sub>11</sub>NO<sub>4</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amine metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001960/image.svg" src="" /></td><td>DYDUXGMDSXJQFT-UHFFFAOYSA-N</td><td></td><td>[4-(2-aminoethyl)phenyl]oxidanesulfonic acid</td><td>217.24</td><td>1.63e+00 g/l</td><td>-1.19</td><td>-2.13</td><td>InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)</td><td>NCCC1=CC=C(OS(O)(=O)=O)C=C1</td><td>9.795063748561153</td><td>-1.8877808008428345</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001960">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1974"><td></td><td><a href="/entries/PHUB001961">Methoxyeugenol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001961</td><td>1974</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001961/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001961">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1975"><td></td><td><a href="/entries/PHUB001962">Sinapic acid sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001962</td><td>1975</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001962/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001962">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1977"><td></td><td><a href="/entries/PHUB001964">Hydroxycinnamic acid sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxycinnamic acid sulfate</td><td>PHUB001964</td><td>1977</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001964/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002652">Oat (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001964">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1978"><td></td><td><a href="/entries/PHUB001965">L-argininate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001965</td><td>1978</td><td>173.104399255</td><td>C<sub>6</sub>H<sub>13</sub>N<sub>4</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Amino acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001965/image.svg" src="" /></td><td>ODKSFYDXXFIFQN-BYPYZUCNSA-M</td><td></td><td>(2S)-2-amino-5-carbamimidamidopentanoate</td><td>173.197</td><td>4.48e+00 g/l</td><td>-1.28</td><td>-1.63</td><td>InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m0/s1</td><td>N[C@@H](CCCNC(N)=N)C([O-])=O</td><td>12.41100429474531</td><td>2.4118378885304885</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001965">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1979"><td></td><td><a href="/entries/PHUB001966">4-vinylguaiacol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001966</td><td>1979</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001966/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001966">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1980"><td></td><td><a href="/entries/PHUB001967">Pyrogallol 1-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2,3-dihydroxybenzene-1-sulfate</td><td>PHUB001967</td><td>1980</td><td>205.988509087</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Benzene-2,3-diol-1-sulfate; Pyrogallol-3-sulfate</td><td class="structure"><img data-src="/structures/PHUB001967/image.svg" src="" /></td><td>NGVLEQPKHLWZLN-UHFFFAOYSA-N</td><td></td><td>(2,3-dihydroxyphenyl)oxidanesulfonic acid</td><td>206.17</td><td></td><td></td><td></td><td>InChI=1S/C6H6O6S/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3,7-8H,(H,9,10,11)</td><td>OC1=C(O)C(OS(O)(=O)=O)=CC=C1</td><td>-4.729867291720829</td><td>-2.5938631822315235</td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001967">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1981"><td></td><td><a href="/entries/PHUB001968">Deoxypyrogallol-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001968</td><td>1981</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001968/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001968">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1982"><td></td><td><a href="/entries/PHUB001969">Methylpyrogallol-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxy-methoxybenzene-sulfate</td><td>PHUB001969</td><td>1982</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB001969/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001969">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1983"><td></td><td><a href="/entries/PHUB001970">Urolithin A-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8-hydroxy-urolithin-3-sulfate</td><td>PHUB001970</td><td>1983</td><td>307.999073772</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>(8-hydroxy-6-oxobenzo[c]chromen-3-yl) hydrogen sulfate; 3,8-dihydroxy-urolithin 3-sulfate; urolithin A-sulfate</td><td class="structure"><img data-src="/structures/PHUB001970/image.svg" src="" /></td><td>WMPNAWQWWZFJTQ-UHFFFAOYSA-N</td><td></td><td></td><td>308.26</td><td></td><td></td><td></td><td>InChI=1S/C13H8O7S/c14-7-1-3-9-10-4-2-8(20-21(16,17)18)6-12(10)19-13(15)11(9)5-7/h1-6,14H,(H,16,17,18)</td><td>OC1=CC2=C(C=C1)C1=C(OC2=O)C=C(OS(O)(=O)=O)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001970">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1985"><td></td><td><a href="/entries/PHUB001972">Isourolithin A sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001972</td><td>1985</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB001972/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001972">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1986"><td></td><td><a href="/entries/PHUB001973">Dimethylellagic acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001973</td><td>1986</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001973/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001973">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1987"><td></td><td><a href="/entries/PHUB001974">N-Acetyldopamine-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001974</td><td>1987</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001974/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001974">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1988"><td></td><td><a href="/entries/PHUB001975">Tellimagrandin I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001975</td><td>1988</td><td>786.091572477</td><td>C<sub>34</sub>H<sub>26</sub>O<sub>22</sub></td><td>Polyphenols</td><td>Ellagitannins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB001975/image.svg" src="" /></td><td>YKDNTEQLKGYZHT-HTCCRONFSA-N</td><td>79786-08-6</td><td>(10R,11S,12R,15R)-3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2(7),3,5,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate</td><td>786.56</td><td>1.65e+00 g/l</td><td>2.66</td><td>-2.68</td><td>InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34?/m1/s1</td><td>OC1O[C@@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1</td><td>-6.053671594660662</td><td>7.0613382912117455</td><td><a href="/food_sources/50">Common walnut</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001975">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="1990"><td></td><td><a href="/entries/PHUB001977">Iberverin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001977</td><td>1990</td><td>146.00926803</td><td>C<sub>5</sub>H<sub>8</sub>NS<sub>2</sub></td><td>N-containing compounds</td><td>Isothiocyanates</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-isothiocyanato-3-(methylsulfanyl)propane; 3- propylisothiocyanate; 3-isothiocyanatopropyl methyl sulfide; 3-methylmercaptopropyl isothiocyanate; 3-methylthiopropyl isothiocyanate; Ibervirin; isothiocyanic acid 3-(methylthio)propyl ester</td><td class="structure"><img data-src="/structures/PHUB001977/image.svg" src="" /></td><td>ZSDZGVFBVKXZIZ-UHFFFAOYSA-N</td><td>505-79-3</td><td>1-isothiocyanato-3-(methylsulfanyl)propan-2-ylium</td><td>146.25</td><td>1.11e-01 g/l</td><td>2.94</td><td>-3.21</td><td>InChI=1S/C5H8NS2/c1-8-4-2-3-6-5-7/h2H,3-4H2,1H3/q+1</td><td>CSC[CH+]CN=C=S</td><td>0.1081064333877259</td><td>7.376365101285966</td><td><a href="/food_sources/132">Rocket salad</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001977">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="1991"><td></td><td><a href="/entries/PHUB001978">Iberin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001978</td><td>1991</td><td>163.012556262</td><td>C<sub>5</sub>H<sub>9</sub>NOS<sub>2</sub></td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-isothiocyanatopropyl methyl sulfoxide; 3-Methylsulphinylpropyl isothiocyanate; IMSP; Methylsulphinylpropylisothiocyanate</td><td class="structure"><img data-src="/structures/PHUB001978/image.svg" src="" /></td><td>LELAOEBVZLPXAZ-UHFFFAOYSA-N</td><td>505-44-2</td><td>1-isothiocyanato-3-methanesulfinylpropane</td><td>163.25</td><td></td><td></td><td></td><td>InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3</td><td>CS(=O)CCCN=C=S</td><td>0.6996990233984336</td><td></td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/42">Common cabbage</a> / <a href="/food_sources/83">Kale</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001978">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1993"><td></td><td><a href="/entries/PHUB001980">5-hydroxyanthranilic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-hydroxy-2-aminobenzoic acid</td><td>PHUB001980</td><td>1993</td><td>153.042593089</td><td>C<sub>7</sub>H<sub>7</sub>NO<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>2-amino-5-hydroxybenzoic acid</td><td class="structure"><img data-src="/structures/PHUB001980/image.svg" src="" /></td><td>HYNQTSZBTIOFKH-UHFFFAOYSA-N</td><td>394-31-0</td><td>2-amino-5-hydroxybenzoic acid</td><td>153.137</td><td>1.19e+01 g/l</td><td>0.70</td><td>-1.11</td><td>InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)</td><td>NC1=C(C=C(O)C=C1)C(O)=O</td><td>5.342488460159981</td><td>2.1939406256600127</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001980">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1994"><td></td><td><a href="/entries/PHUB001981">3-hydroxymandelic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-2-hydroxy-2-(3'-hydroxyphenyl)acetic acid</td><td>PHUB001981</td><td>1994</td><td>168.042258738</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>4</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>(3-hydroxyphenyl)-2-hydroxyacetic acid; (3-hydroxyphenyl)-2-hydroxyethanoic acid; (3'-hydroxyphenyl)-2-hydroxyacetic acid; 2-hydroxy-2-(3-hydroxyphenyl)acetic acid; 2-hydroxy-2-(3-hydroxyphenyl)ethanoic acid</td><td class="structure"><img data-src="/structures/PHUB001981/image.svg" src="" /></td><td>OLSDAJRAVOVKLG-UHFFFAOYSA-N</td><td>17119-15-2</td><td>2-hydroxy-2-(3-hydroxyphenyl)acetic acid</td><td>168.148</td><td>1.05e+01 g/l</td><td>0.89</td><td>-1.20</td><td>InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)</td><td>OC(C(O)=O)C1=CC(O)=CC=C1</td><td>-4.132531240571597</td><td>3.303530000093164</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001981">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1995"><td></td><td><a href="/entries/PHUB001982">2-hydroxy-3-(3',4'-dihydroxyphenyl)propanoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-2-hydroxy-3-(3',4'-dihydroxyphenyl)propanoic acid</td><td>PHUB001982</td><td>1995</td><td>198.052823422</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>2-hydroxy-3-(3,4-dihydroxyphenyl)propanoic acid; 2-hydroxy-3-(3â,4â-dihydroxyphenyl)propionic acid; 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid; 3-(3,4-dihydroxyphenyl)-2-hydroxypropionic acid; 3-(3,4-dihydroxyphenyl)lactic acid; 3-(3',4'-dihydroxyphenyl)-2-hydroxypropanoic acid; 3-(3',4'-dihydroxyphenyl)lactic acid; Danshensu; Salvianic acid</td><td class="structure"><img data-src="/structures/PHUB001982/image.svg" src="" /></td><td>PAFLSMZLRSPALU-UHFFFAOYSA-N</td><td>23028-17-3</td><td>3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid</td><td>198.174</td><td>6.70e+00 g/l</td><td>0.77</td><td>-1.47</td><td>InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)</td><td>OC(CC1=CC=C(O)C(O)=C1)C(O)=O</td><td>-3.8352708457687448</td><td>3.258224734768921</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001982">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1996"><td></td><td><a href="/entries/PHUB001983">2-hydroxy-3-(4'-hydroxyphenyl)propanoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-2-hydroxy-3-(4'-hydroxyphenyl)propanoic acid </td><td>PHUB001983</td><td>1996</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>2-hydroxy-3-(4-hydroxyphenyl)propanoic acid; 2-hydroxy-3-(4-hydroxyphenyl)propionic acid; 3-(4-hydroxyphenyl)-2-hydroxypropanoic acid; 3-(4-hydroxyphenyl)lactic acid; 3-(4'-hydroxyphenyl)-2-hydroxypropanoic acid; 3-(4'-hydroxyphenyl)-2-hydroxypropionic acid; 3-(4'-hydroxyphenyl)lactic acid</td><td class="structure"><img data-src="/structures/PHUB001983/image.svg" src="" /></td><td>JVGVDSSUAVXRDY-UHFFFAOYSA-N</td><td>306-23-0</td><td>2-hydroxy-3-(4-hydroxyphenyl)propanoic acid</td><td>182.175</td><td>4.79e+00 g/l</td><td>0.87</td><td>-1.58</td><td>InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)</td><td>OC(CC1=CC=C(O)C=C1)C(O)=O</td><td>-3.8298154633716117</td><td>3.5839647995095922</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001983">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="1997"><td></td><td><a href="/entries/PHUB001984">3-(phenyl)lactic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(R/S)-2-hydroxy-3-(phenyl)propanoic acid</td><td>PHUB001984</td><td>1997</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>2-hydroxy-3-(phenyl)propionic acid; 3-(phenyl)-2-hydroxypropanoic acid; 3-(phenyl)-2-hydroxypropionic acid</td><td class="structure"><img data-src="/structures/PHUB001984/image.svg" src="" /></td><td>VOXXWSYKYCBWHO-UHFFFAOYSA-N</td><td>828-01-3</td><td>2-hydroxy-3-phenylpropanoic acid</td><td>166.176</td><td>9.80e+00 g/l</td><td>0.84</td><td>-1.23</td><td>InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)</td><td>OC(CC1=CC=CC=C1)C(O)=O</td><td>-3.8373742935175534</td><td>4.020980916532307</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001984">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2005"><td></td><td><a href="/entries/PHUB001987">4-hydroxy-5-(3',4'-dihydroxyphenyl)valeric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(3',4'-dihydroxyphenyl)valeric acid</td><td>PHUB001987</td><td>2005</td><td>226.084123551</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>4-hydroxy-5-(3,4-dihydroxyphenyl)valeric acid; 5-(3,4-dihydroxyphenyl)-4-hydroxypentanoic acid; 5-(3,4-dihydroxyphenyl)-4-hydroxyvaleric acid; 5-(3,4-dihydroxyphenyl)-γ-hydroxypentanoic acid; 5-(3',4'-dihydroxyphenyl)-4-hydroxyvaleric acid</td><td class="structure"><img data-src="/structures/PHUB001987/image.svg" src="" /></td><td>JDBYFCLHVYVXCX-MRVPVSSYSA-N</td><td></td><td></td><td>226.228</td><td></td><td></td><td></td><td>InChI=1S/C11H14O5/c12-8(2-4-11(15)16)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,15,16)/t8-/m1/s1</td><td>O[C@H](CCC(O)=O)CC1=CC=C(O)C(O)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001987">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2006"><td></td><td><a href="/entries/PHUB001988">4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001988</td><td>2006</td><td>320.056588649</td><td>C<sub>12</sub>H<sub>16</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>4-hydroxy-5-(3-methoxyphenyl)valeric acid-4-sulfate; 4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-3'-methoxy-4'-sulfate; 5-(3-methoxyphenyl)-4-hydroxyvaleric acid-4-sulfate; 5-(3â-methoxyphenyl)-4-hydroxyvaleric acid-4'-sulfate</td><td class="structure"><img data-src="/structures/PHUB001988/image.svg" src="" /></td><td>GUEAZORXKKSCMA-UHFFFAOYSA-N</td><td></td><td>4-hydroxy-5-[3-methoxy-4-(sulfooxy)phenyl]pentanoic acid</td><td>320.31</td><td>8.53e-01 g/l</td><td>-0.91</td><td>-2.57</td><td>InChI=1S/C12H16O8S/c1-19-11-7-8(6-9(13)3-5-12(14)15)2-4-10(11)20-21(16,17)18/h2,4,7,9,13H,3,5-6H2,1H3,(H,14,15)(H,16,17,18)</td><td>COC1=CC(CC(O)CCC(O)=O)=CC=C1OS(O)(=O)=O</td><td>-2.753862094722508</td><td>-2.03387899130351</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001988">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2007"><td></td><td><a href="/entries/PHUB001989">4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
84-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-3'-sulfate</td><td>PHUB001989</td><td>2007</td><td>306.040938585</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-3'-sulfate; 4-hydroxy-5-(4-hydroxyphenyl)valeric acid-3-sulfate; 5-(4-hydroxyphenyl)-4-hydroxyvaleric acid-3-sulfate; 5-(4'-hydroxyphenyl)-4-hydroxyvaleric acid-3'-sulfate</td><td class="structure"><img data-src="/structures/PHUB001989/image.svg" src="" /></td><td>HROSNTXKMPHTSL-UHFFFAOYSA-N</td><td></td><td>4-hydroxy-5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid</td><td>306.29</td><td>1.61e+00 g/l</td><td>-0.89</td><td>-2.28</td><td>InChI=1S/C11H14O8S/c12-8(2-4-11(14)15)5-7-1-3-9(13)10(6-7)19-20(16,17)18/h1,3,6,8,12-13H,2,4-5H2,(H,14,15)(H,16,17,18)</td><td>OC(CCC(O)=O)CC1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td>-2.7437791410730012</td><td>-1.9991922497948977</td><td></td><td><a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001989">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2008"><td></td><td><a href="/entries/PHUB001990">4ʹ-methoxyhippuric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4ʹ-methoxyhippuric acid</td><td>PHUB001990</td><td>2008</td><td>209.068807838</td><td>C<sub>10</sub>H<sub>11</sub>NO<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>2-(4-ethoxybenzamido)acetic acid; 4-methoxyhippuric acid; N-(4-methoxybenzoyl)glycine</td><td class="structure"><img data-src="/structures/PHUB001990/image.svg" src="" /></td><td>SIEIOUWSTGWJGE-UHFFFAOYSA-N</td><td>13214-64-7</td><td>2-[(4-methoxyphenyl)formamido]acetic acid</td><td>209.201</td><td>1.24e+00 g/l</td><td>0.49</td><td>-2.23</td><td>InChI=1S/C10H11NO4/c1-15-8-4-2-7(3-5-8)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)</td><td>COC1=CC=C(C=C1)C(=O)NCC(O)=O</td><td>-1.1762786679703232</td><td>3.12771233241685</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001990">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2009"><td></td><td><a href="/entries/PHUB001991">4-sulfoxy-5-(3â,4â-dihydroxyphenyl)valeric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001991</td><td>2009</td><td>306.040938585</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>4-sulfoxy-5-(3,4-dihydroxyphenyl)valeric acid; 5-(3-hydroxyphenyl)-4-sulphoxyvaleric acid; 5-(3,4-dihydroxyphenyl)-4-sulfoxyvaleric acid; 5-(3'-hydroxyphenyl)-4'-sulphoxyvaleric acid; 5-(3',4'-dihydroxyphenyl)-4-sulfoxyvaleric acid</td><td class="structure"><img data-src="/structures/PHUB001991/image.svg" src="" /></td><td>NBKHZVHBUVNGQF-UHFFFAOYSA-N</td><td></td><td>5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid</td><td>306.29</td><td>1.84e+00 g/l</td><td>-0.52</td><td>-2.22</td><td>InChI=1S/C11H14O8S/c12-9-3-1-7(6-10(9)13)5-8(2-4-11(14)15)19-20(16,17)18/h1,3,6,8,12-13H,2,4-5H2,(H,14,15)(H,16,17,18)</td><td>OC(=O)CCC(CC1=CC(O)=C(O)C=C1)OS(O)(=O)=O</td><td>-6.289148277474</td><td>-1.935098731027867</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001991">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2010"><td></td><td><a href="/entries/PHUB001992">4-sulfoxy-5-(4'-hydroxy-3'-methoxyphenyl)valeric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001992</td><td>2010</td><td>320.056588649</td><td>C<sub>12</sub>H<sub>16</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>4-sulfoxy-5-(4-hydroxy-3-methoxyphenyl)valeric acid; 5-(4-hydroxy-3-methoxyphenyl)-4-sulfoxyvaleric acid; 5-(4'-hydroxy-3'-methoxyphenyl)-4-sulfoxyvaleric acid</td><td class="structure"><img data-src="/structures/PHUB001992/image.svg" src="" /></td><td>JQISKEAFUDWLCF-UHFFFAOYSA-N</td><td></td><td>5-(4-hydroxy-3-methoxyphenyl)-4-(sulfooxy)pentanoic acid</td><td>320.31</td><td>1.14e+00 g/l</td><td>-0.48</td><td>-2.45</td><td>InChI=1S/C12H16O8S/c1-19-11-7-8(2-4-10(11)13)6-9(3-5-12(14)15)20-21(16,17)18/h2,4,7,9,13H,3,5-6H2,1H3,(H,14,15)(H,16,17,18)</td><td>COC1=CC(CC(CCC(O)=O)OS(O)(=O)=O)=CC=C1O</td><td>-4.89285996512746</td><td>-1.8607185700304534</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001992">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2011"><td></td><td><a href="/entries/PHUB001993">5-(3',4'-dihydroxyphenyl)-γ-valerolactone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3â²,4â²-Dihydroxyphenyl)-γ-valerolactone</td><td>PHUB001993</td><td>2011</td><td>208.073558866</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>[M6]; 5-(3,4-dihydroxyphenyl)-γ-valerolactone; 5-(dihydroxyphenyl)-valerolactone; 5-(dihydroxyphenyl)-γ-valerolactone; δ-(3,4-dihydroxyphenyl)-γ-valerolactone</td><td class="structure"><img data-src="/structures/PHUB001993/image.svg" src="" /></td><td>ZNXXWTPQHVLMQT-MRVPVSSYSA-N</td><td>21618-92-8, 1108192-01-3, 191666-22-5</td><td></td><td>208.213</td><td></td><td></td><td></td><td>InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2/t8-/m1/s1</td><td>OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002654">Red Wine Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001993">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2012"><td></td><td><a href="/entries/PHUB001994">5-(3',5'-dihydroxyphenyl)valeric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001994</td><td>2012</td><td>210.089208931</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>5-(3,5-dihydroxyphenyl)valeric acid</td><td class="structure"><img data-src="/structures/PHUB001994/image.svg" src="" /></td><td>QHXNJIMVPAFCPR-UHFFFAOYSA-N</td><td>74356-41-5</td><td>5-(3,5-dihydroxyphenyl)pentanoic acid</td><td>210.229</td><td>7.26e-01 g/l</td><td>1.78</td><td>-2.46</td><td>InChI=1S/C11H14O4/c12-9-5-8(6-10(13)7-9)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)</td><td>OC(=O)CCCCC1=CC(O)=CC(O)=C1</td><td>-5.665058856205951</td><td>4.118382175200911</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001994">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2013"><td></td><td><a href="/entries/PHUB001995">5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3'-Hydroxyphenyl)-γ-valerolactone-4'-sulfate</td><td>PHUB001995</td><td>2013</td><td>288.0303739</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>7</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>5-(3-hydroxyphenyl)-γ-valerolactone-4-sulfate; 5-(3',4'-dihydroxyphenyl)-γ-valerolactone-4'-sulfate; M6-sulfate</td><td class="structure"><img data-src="/structures/PHUB001995/image.svg" src="" /></td><td>YAXFVDUJDAQPTJ-UHFFFAOYSA-N</td><td></td><td>{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid</td><td>288.27</td><td>8.95e-01 g/l</td><td>-0.50</td><td>-2.51</td><td>InChI=1S/C11H12O7S/c12-9-3-1-7(5-8-2-4-11(13)17-8)6-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16)</td><td>OC1=CC=C(CC2CCC(=O)O2)C=C1OS(O)(=O)=O</td><td>-4.413491424833225</td><td>-2.1298547235396534</td><td></td><td><a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001995">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2014"><td></td><td><a href="/entries/PHUB001996">5-(3'-methoxyphenyl)-γ-valerolactone-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001996</td><td>2014</td><td>302.046023965</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>5-(3-methoxyphenyl)-γ-valerolactone-4-sulfate; 5-(3',4'-dihydroxyphenyl)-γ-valerolactone-3'-methoxy-4'-sulfate; 5-(4'-hydroxy-3'-methoxyphenyl)-γ-valerolactone-4'-sulfate</td><td class="structure"><img data-src="/structures/PHUB001996/image.svg" src="" /></td><td>FYRRHCSCZYSADR-UHFFFAOYSA-N</td><td></td><td>{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid</td><td>302.3</td><td>2.14e-01 g/l</td><td>-0.44</td><td>-3.15</td><td>InChI=1S/C12H14O7S/c1-17-11-7-8(6-9-3-5-12(13)18-9)2-4-10(11)19-20(14,15)16/h2,4,7,9H,3,5-6H2,1H3,(H,14,15,16)</td><td>COC1=CC(CC2CCC(=O)O2)=CC=C1OS(O)(=O)=O</td><td>-4.915055610837539</td><td>-2.0779261468112624</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001996">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2015"><td></td><td><a href="/entries/PHUB001997">5-(4'-hydroxyphenyl)-γ-valerolactone-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB001997</td><td>2015</td><td>288.0303739</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td>5-(3',4'-dihydroxyphenyl)-γ-valerolactone-3'-sulfate; 5-(4-hydroxyphenyl)-γ-valerolactone-3-sulfate; M6-sulfate</td><td class="structure"><img data-src="/structures/PHUB001997/image.svg" src="" /></td><td>YAXFVDUJDAQPTJ-UHFFFAOYSA-N</td><td></td><td>{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid</td><td>288.27</td><td>8.95e-01 g/l</td><td>-0.50</td><td>-2.51</td><td>InChI=1S/C11H12O7S/c12-9-3-1-7(5-8-2-4-11(13)17-8)6-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16)</td><td>OC1=CC=C(CC2CCC(=O)O2)C=C1OS(O)(=O)=O</td><td>-4.413491424833225</td><td>-2.1298547235396534</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001997">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2016"><td></td><td><a href="/entries/PHUB001998">isovanillin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-4-methoxybenzaldehyde</td><td>PHUB001998</td><td>2016</td><td>152.047344118</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>3</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB001998/image.svg" src="" /></td><td>JVTZFYYHCGSXJV-UHFFFAOYSA-N</td><td>621-59-0</td><td>3-hydroxy-4-methoxybenzaldehyde</td><td>152.149</td><td>5.13e+00 g/l</td><td>1.36</td><td>-1.47</td><td>InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3</td><td>COC1=CC=C(C=O)C=C1O</td><td>-4.900996361335673</td><td>9.392493632458516</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001998">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2017"><td></td><td><a href="/entries/PHUB001999">Urolithin A-3,8-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Urolithin-3,8-diglucuronide</td><td>PHUB001999</td><td>2017</td><td>580.106434693</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>16</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>(2S,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxobenzo[c]chromen; 3,8-dihydroxy-urolithin-diglucuronide; urolithin A-diglucuronide</td><td class="structure"><img data-src="/structures/PHUB001999/image.svg" src="" /></td><td>SXMJSEFKPOZNAT-ILJCXFEASA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-[(3-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxo-6H-benzo[c]chromen-8-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>580.451</td><td>2.25e+00 g/l</td><td>-0.41</td><td>-2.41</td><td>InChI=1S/C25H24O16/c26-13-15(28)19(21(32)33)40-24(17(13)30)37-7-1-3-9-10-4-2-8(6-12(10)39-23(36)11(9)5-7)38-25-18(31)14(27)16(29)20(41-25)22(34)35/h1-6,13-20,24-31H,(H,32,33)(H,34,35)/t13-,14-,15-,16-,17+,18+,19-,20-,24+,25+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.731998649688452</td><td>2.821107768201382</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB001999">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2019"><td></td><td><a href="/entries/PHUB002001">Urolithin B-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Urolithin-3-O-sulfate</td><td>PHUB002001</td><td>2019</td><td>292.004159152</td><td>C<sub>13</sub>H<sub>8</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td>(6-oxobenzo[c]chromen-3-yl) hydrogen sulfate; 8-hydroxy-urolithin-3-sulfate; urolithin-B-sulfate</td><td class="structure"><img data-src="/structures/PHUB002001/image.svg" src="" /></td><td>LRRVKQQFGIEMSA-UHFFFAOYSA-N</td><td></td><td>{6-oxo-6H-benzo[c]chromen-3-yl}oxidanesulfonic acid</td><td>292.26</td><td>1.23e-01 g/l</td><td>0.54</td><td>-3.38</td><td>InChI=1S/C13H8O6S/c14-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)18-13)19-20(15,16)17/h1-7H,(H,15,16,17)</td><td>OS(=O)(=O)OC1=CC=C2C(OC(=O)C3=CC=CC=C23)=C1</td><td>-7.050497856402056</td><td>-2.219526371669452</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002001">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2022"><td></td><td><a href="/entries/PHUB002003">Hordatine A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002003</td><td>2022</td><td>550.301601736</td><td>C<sub>28</sub>H<sub>38</sub>N<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002003/image.svg" src="" /></td><td>KVYNYRIOAYQBFK-AIIPJEMGSA-N</td><td>7073-64-5</td><td>(2S,3S)-N-(4-carbamimidamidobutyl)-5-[(1E)-2-[(4-carbamimidamidobutyl)carbamoyl]eth-1-en-1-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide</td><td>550.664</td><td>4.32e-02 g/l</td><td>1.23</td><td>-4.11</td><td>InChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m0/s1</td><td>NC(=N)NCCCCNC(=O)\C=C\C1=CC2=C(O[C@@H]([C@H]2C(=O)NCCCCNC(N)=N)C2=CC=C(O)C=C2)C=C1</td><td>12.42612499622819</td><td>9.466803229188852</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002003">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2023"><td></td><td><a href="/entries/PHUB002004">Aspalathin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002004</td><td>2023</td><td>452.131861593</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>(1S)-1,5-anhydro-1-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4,6-trihydroxyphenyl}-D-glucitol; 1-(3-C-beta-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-1-propanone; 3-(3,4-dihydroxyphenyl)-3'-beta-D-glucopyranosyl-2',4',6'-trihydroxypropiophenone</td><td class="structure"><img data-src="/structures/PHUB002004/image.svg" src="" /></td><td>VCPUQYKWJRESOC-VJXVFPJBSA-N</td><td></td><td>3-(3,4-dihydroxyphenyl)-1-{2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one</td><td>452.412</td><td>2.49e+00 g/l</td><td>0.03</td><td>-2.26</td><td>InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2/t14-,17-,19+,20-,21+/m1/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C(C(=O)CCC2=CC=C(O)C(O)=C2)=C(O)C=C1O</td><td>-3.644730891777995</td><td>7.538555145957981</td><td><a href="/food_sources/133">Rooibos tea</a></td><td><a href="/entries/PHUB002005">3-methoxy-aspalathin</a> / <a href="/entries/PHUB002006">Aspalathin-glucuronide</a> / <a href="/entries/PHUB002007">Aspalathin-sulfate</a> / <a href="/entries/PHUB002008">3-methoxy-aspalathin-glucuronide</a> / <a href="/entries/PHUB002009">3-methoxy-aspalathin-sulfate</a> / <a href="/entries/PHUB002013">Aspalathin aglycone-glucuronide</a> / <a href="/entries/PHUB002004">Aspalathin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002004">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2024"><td></td><td><a href="/entries/PHUB002005">3-methoxy-aspalathin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-methoxyaspalathin</td><td>PHUB002005</td><td>2024</td><td>466.147511657</td><td>C<sub>22</sub>H<sub>26</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>3-O-Methylaspalathin</td><td class="structure"><img data-src="/structures/PHUB002005/image.svg" src="" /></td><td>HKQVIWOPVKPHIP-DGHBBABESA-N</td><td></td><td>3-(4-hydroxy-3-methoxyphenyl)-1-{2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one</td><td>466.439</td><td>1.61e+00 g/l</td><td>0.26</td><td>-2.46</td><td>InChI=1S/C22H26O11/c1-32-14-6-9(2-4-10(14)24)3-5-11(25)16-12(26)7-13(27)17(19(16)29)22-21(31)20(30)18(28)15(8-23)33-22/h2,4,6-7,15,18,20-24,26-31H,3,5,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1</td><td>COC1=CC(CCC(=O)C2=C(O)C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2O)=CC=C1O</td><td>-2.979192626940293</td><td>7.544617872667329</td><td></td><td><a href="/entries/PHUB002004">Aspalathin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002005">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2025"><td></td><td><a href="/entries/PHUB002006">Aspalathin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Aspalathin-glucuronide</td><td>PHUB002006</td><td>2025</td><td></td><td>C<sub>27</sub>H<sub>32</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>Aspalathin-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002006/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002004">Aspalathin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002006">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2026"><td></td><td><a href="/entries/PHUB002007">Aspalathin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Aspalathin-sulfate</td><td>PHUB002007</td><td>2026</td><td></td><td>C<sub>21</sub>H<sub>24</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>Aspalathin-O-sulfate</td><td class="structure"><img data-src="/structures/PHUB002007/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002004">Aspalathin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002007">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2027"><td></td><td><a href="/entries/PHUB002008">3-methoxy-aspalathin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-methoxyaspalathin-glucuronide</td><td>PHUB002008</td><td>2027</td><td></td><td>C<sub>28</sub>H<sub>34</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>3-O-Methyl-aspalathin-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002008/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002004">Aspalathin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002008">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2028"><td></td><td><a href="/entries/PHUB002009">3-methoxy-aspalathin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-methoxyaspalathin-sulfate</td><td>PHUB002009</td><td>2028</td><td></td><td>C<sub>22</sub>H<sub>26</sub>O<sub>14</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002009/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002004">Aspalathin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002009">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2029"><td></td><td><a href="/entries/PHUB002010">Nothofagin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002010</td><td>2029</td><td>436.136946973</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-; 3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2; 3'-C-glucosylphloretin</td><td class="structure"><img data-src="/structures/PHUB002010/image.svg" src="" /></td><td>VZBPTZZTCBNBOZ-VJXVFPJBSA-N</td><td>11023-94-2</td><td>3-(4-hydroxyphenyl)-1-{2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one</td><td>436.413</td><td>2.13e+00 g/l</td><td>0.13</td><td>-2.31</td><td>InChI=1S/C21H24O10/c22-8-14-17(27)19(29)20(30)21(31-14)16-13(26)7-12(25)15(18(16)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-2,4-5,7,14,17,19-23,25-30H,3,6,8H2/t14-,17-,19+,20-,21+/m1/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C(C(=O)CCC2=CC=C(O)C=C2)=C(O)C=C1O</td><td>-2.979192626940293</td><td>7.541597882955646</td><td><a href="/food_sources/133">Rooibos tea</a></td><td><a href="/entries/PHUB002011">Nothofagin-glucuronide</a> / <a href="/entries/PHUB002012">Nothofagin aglycone-glucuronide</a> / <a href="/entries/PHUB002010">Nothofagin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002010">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2030"><td></td><td><a href="/entries/PHUB002011">Nothofagin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Nothofagin-glucuronide</td><td>PHUB002011</td><td>2030</td><td></td><td>C<sub>27</sub>H<sub>32</sub>O<sub>16</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>Nothofagin-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002011/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002010">Nothofagin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002011">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2031"><td></td><td><a href="/entries/PHUB002012">Nothofagin aglycone-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2â,4,4â,6â-tetrahydroxy-dihydrochalcone-glucuronide</td><td>PHUB002012</td><td>2031</td><td></td><td>C<sub>21</sub>H<sub>22</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>2â,4,4â,6â-tetrahydroxy-dihydrochalcone-O-glucuronide; Nothofagin aglycone-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002012/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002010">Nothofagin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002012">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2032"><td></td><td><a href="/entries/PHUB002013">Aspalathin aglycone-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2â,3,4â,4,6â-pentahydroxy-dihydrochalcone-glucuronide</td><td>PHUB002013</td><td>2032</td><td></td><td>C<sub>21</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>2â,3,4â,4,6â-pentahydroxy-dihydrochalcone-O-glucuronide; Aspalathin aglycone-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002013/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002004">Aspalathin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002013">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2034"><td></td><td><a href="/entries/PHUB002015">Phloretin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Phloretin-glucuronide</td><td>PHUB002015</td><td>2034</td><td></td><td>C<sub>21</sub>H<sub>22</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>Phloretin-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002015/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002018">Apple dihydrochalcones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002015">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2035"><td></td><td><a href="/entries/PHUB002016">Phloretin sulfo-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Phloretin-sulfoglucuronide</td><td>PHUB002016</td><td>2035</td><td></td><td>C<sub>21</sub>H<sub>22</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>Phloretin-O-glucuronide-O-sulfate</td><td class="structure"><img data-src="/structures/PHUB002016/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002018">Apple dihydrochalcones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002016">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2036"><td></td><td><a href="/entries/PHUB002017">Phloretin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Phloretin-sulfate</td><td>PHUB002017</td><td>2036</td><td></td><td>C<sub>15</sub>H<sub>14</sub>O<sub>8</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Dihydrochalcones metabolites</td><td>Phloretin-O-sulfate</td><td class="structure"><img data-src="/structures/PHUB002017/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002018">Apple dihydrochalcones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002017">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2037"><td></td><td><a href="/entries/PHUB002018">Apple dihydrochalcones</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002018</td><td>2037</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002018/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001344">Phloretin</a> / <a href="/entries/PHUB001345">Phloretin-2'-glucuronide</a> / <a href="/entries/PHUB002015">Phloretin-glucuronide</a> / <a href="/entries/PHUB002016">Phloretin sulfo-glucuronide</a> / <a href="/entries/PHUB002017">Phloretin-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002018">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2038"><td></td><td><a href="/entries/PHUB002019">3',5'-di-C-glucopyranosylphloretin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002019</td><td>2038</td><td>598.189770395</td><td>C<sub>27</sub>H<sub>34</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002019/image.svg" src="" /></td><td>WAWHTTXPRUWFCZ-MWNZOLAUSA-N</td><td></td><td>3-(4-hydroxyphenyl)-1-{2,4,6-trihydroxy-3-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one</td><td>598.554</td><td>1.26e+01 g/l</td><td>-1.08</td><td>-1.68</td><td>InChI=1S/C27H34O15/c28-7-12-17(32)22(37)24(39)26(41-12)15-19(34)14(11(31)6-3-9-1-4-10(30)5-2-9)20(35)16(21(15)36)27-25(40)23(38)18(33)13(8-29)42-27/h1-2,4-5,12-13,17-18,22-30,32-40H,3,6-8H2/t12?,13?,17-,18-,22?,23?,24-,25-,26-,27+/m1/s1</td><td>OCC1O[C@H]([C@H](O)C(O)[C@@H]1O)C1=C(O)C(C(=O)CCC2=CC=C(O)C=C2)=C(O)C([C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)=C1O</td><td>-3.649126476912081</td><td>7.123354989803098</td><td><a href="/food_sources/229">Kumquat</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002019">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2039"><td></td><td><a href="/entries/PHUB002020">Carnosic Acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002020</td><td>2039</td><td>332.198759382</td><td>C<sub>20</sub>H<sub>28</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(4AR)-5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carbox; 4a(2H)-Phenanthrenecarboxylic acid; RoseOx; Salvin</td><td class="structure"><img data-src="/structures/PHUB002020/image.svg" src="" /></td><td>QRYRORQUOLYVBU-VBKZILBWSA-N</td><td>3650-09-7</td><td>(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic acid</td><td>332.44</td><td>7.79e-02 g/l</td><td>4.16</td><td>-3.63</td><td>InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1</td><td>CC(C)C1=C(O)C(O)=C2C(CC[C@H]3C(C)(C)CCC[C@]23C(O)=O)=C1</td><td>-6.009160585229941</td><td>4.292945414120731</td><td><a href="/food_sources/376">Basil</a> / <a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/134">Rosemary</a> / <a href="/food_sources/374">Rosemary tea</a> / <a href="/food_sources/381">Thyme (Thymus capitatus )</a></td><td><a href="/entries/PHUB002020">Carnosic Acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002020">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2041"><td></td><td><a href="/entries/PHUB002022">Methyl carnosate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002022</td><td>2041</td><td>346.214409446</td><td>C<sub>21</sub>H<sub>30</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>methyl (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-c</td><td class="structure"><img data-src="/structures/PHUB002022/image.svg" src="" /></td><td>IIJLVJMZYPZQLW-MZVUKIKXSA-N</td><td></td><td>methyl (4aR)-5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylate</td><td>346.467</td><td>2.41e-02 g/l</td><td>4.74</td><td>-4.16</td><td>InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(24)25-5)16(13)18(23)17(14)22/h11-12,15,22-23H,6-10H2,1-5H3/t15?,21-/m1/s1</td><td>COC(=O)[C@]12CCCC(C)(C)C1CCC1=CC(C(C)C)=C(O)C(O)=C21</td><td>-6.009161702981391</td><td>9.464626032934891</td><td><a href="/food_sources/376">Basil</a> / <a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/134">Rosemary</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002022">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2042"><td></td><td><a href="/entries/PHUB002023">Methoxy carnosol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002023</td><td>2042</td><td>346.214409446</td><td>C<sub>21</sub>H<sub>30</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002023/image.svg" src="" /></td><td>QQNSARJGBPMQDI-YCRPNKLZSA-N</td><td></td><td>(4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic acid</td><td>346.467</td><td>
81.04e-02 g/l</td><td>4.68</td><td>-4.52</td><td>InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1</td><td>COC1=C(C=C2CC[C@H]3C(C)(C)CCC[C@]3(C(O)=O)C2=C1O)C(C)C</td><td>-4.884940048366394</td><td>4.331572871998162</td><td><a href="/food_sources/376">Basil</a> / <a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/134">Rosemary</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002023">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2043"><td></td><td><a href="/entries/PHUB002024">Epirosmanol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002024</td><td>2043</td><td>346.178023937</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002024/image.svg" src="" /></td><td>LCAZOMIGFDQMNC-UHFFFAOYSA-N</td><td></td><td>3,4,8-trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one</td><td>346.423</td><td>7.10e-01 g/l</td><td>3.23</td><td>-2.69</td><td>InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3</td><td>CC(C)C1=CC2=C(C(O)=C1O)C13CCCC(C)(C)C1C(OC3=O)C2O</td><td>-3.508214327249384</td><td>9.179287230737058</td><td><a href="/food_sources/376">Basil</a> / <a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/48">Common sage</a> / <a href="/food_sources/49">Common thyme</a> / <a href="/food_sources/134">Rosemary</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002024">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2044"><td></td><td><a href="/entries/PHUB002025">Rosmanol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002025</td><td>2044</td><td>330.183109317</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002025/image.svg" src="" /></td><td>VYFFPVYOQFBGNO-UHFFFAOYSA-N</td><td></td><td>3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one</td><td>330.424</td><td>3.81e-02 g/l</td><td>4.28</td><td>-3.94</td><td>InChI=1S/C20H26O4/c1-10(2)12-8-11-9-13-17-19(3,4)6-5-7-20(17,18(23)24-13)14
8(11)16(22)15(12)21/h8,10,13,17,21-22H,5-7,9H2,1-4H3</td><td>CC(C)C1=CC2=C(C(O)=C1O)C13CCCC(C)(C)C1C(C2)OC3=O</td><td>-6.050495915054732</td><td>9.274013825408502</td><td><a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/134">Rosemary</a> / <a href="/food_sources/374">Rosemary tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002025">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2045"><td></td><td><a href="/entries/PHUB002026">Rosmadial</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002026</td><td>2045</td><td>344.162373873</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002026/image.svg" src="" /></td><td>JBWRHBJFAVSAMJ-UHFFFAOYSA-N</td><td></td><td>7-hydroxy-5',5'-dimethyl-2-oxo-6-(propan-2-yl)-2H-spiro[1-benzofuran-3,1'-cyclohexane]-4,6'-dicarbaldehyde</td><td>344.407</td><td>1.64e-02 g/l</td><td>3.76</td><td>-4.32</td><td>InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)15-17(16(13)23)25-18(24)20(15)7-5-6-19(3,4)14(20)10-22/h8-11,14,23H,5-7H2,1-4H3</td><td>CC(C)C1=C(O)C2=C(C(C=O)=C1)C1(CCCC(C)(C)C1C=O)C(=O)O2</td><td>-5.571579231100667</td><td>8.500217800806883</td><td><a href="/food_sources/45">Common oregano</a> / <a href="/food_sources/134">Rosemary</a> / <a href="/food_sources/378">White sage (Salvia apiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002026">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2046"><td></td><td><a href="/entries/PHUB002027">3-Hydroxyphloridzin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002027</td><td>2046</td><td>452.131861593</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002027/image.svg" src="" /></td><td>AONTYURQWYQJNQ-QNDFHXLGSA-N</td><td></td><td>1-(2,4-dihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)propan-1-one</td><td>452.412</td><td>1.44e+00 g/l</td><td>0.27</td><td>-2.50</td><td>InChI=1S/C21H24O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-15-7-10(23)6-14(27)17(15)12(25)4-2-9-1-3-11(24)13(26)5-9/h1,3,5-7,16,18-24,26-30H,2,4,8H2/t16-,18-,19+,20-,21-/m1/s1</td><td>[H][C@]1(CO)O[C@@]([H])(OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-2.981092346304827</td><td>7.863305247200087</td><td><a href="/food_sources/7">Apple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002027">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2047"><td></td><td><a href="/entries/PHUB002028">Cafestol linoleate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002028</td><td>2047</td><td>578.433510348</td><td>C<sub>38</sub>H<sub>58</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002028/image.svg" src="" /></td><td>QBYRZXFGMOAYTG-QGTVDBMJSA-N</td><td></td><td>[(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6-dien-17-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate</td><td>578.878</td><td>1.20e-03 g/l</td><td>9.31</td><td>-5.68</td><td>InChI=1S/C38H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)42-29-38(40)28-37-25-21-32-31-23-26-41-33(31)22-24-36(32,2)34(37)20-19-30(38)27-37/h7-8,10-11,23,26,30,32,34,40H,3-6,9,12-22,24-25,27-29H2,1-2H3/b8-7-,11-10-/t30-,32-,34+,36-,37+,38+/m1/s1</td><td>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC2=C(C=CO2)[C@H]1CC3</td><td>-2.745392583663205</td><td>13.752214944221015</td><td><a href="/food_sources/173">Arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002028">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2048"><td></td><td><a href="/entries/PHUB002029">Cafestol oleate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002029</td><td>2048</td><td>580.449160412</td><td>C<sub>38</sub>H<sub>60</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002029/image.svg" src="" /></td><td>GDGISUYKWSTPFO-CZYKCIIGSA-N</td><td></td><td>[(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6-dien-17-yl]methyl (9Z)-octadec-9-enoate</td><td>580.894</td><td>1.22e-03 g/l</td><td>9.38</td><td>-5.68</td><td>InChI=1S/C38H60O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)42-29-38(40)28-37-25-21-32-31-23-26-41-33(31)22-24-36(32,2)34(37)20-19-30(38)27-37/h10-11,23,26,30,32,34,40H,3-9,12-22,24-25,27-29H2,1-2H3/b11-10-/t30-,32-,34+,36-,37+,38+/m1/s1</td><td>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC2=C(C=CO2)[C@H]1CC3</td><td>-2.745392583663205</td><td>13.752214944221015</td><td><a href="/food_sources/173">Arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002029">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2049"><td></td><td><a href="/entries/PHUB002030">Cafestol palmitate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002030</td><td>2049</td><td>568.449160412</td><td>C<sub>37</sub>H<sub>60</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Hexadecanoic acid</td><td class="structure"><img data-src="/structures/PHUB002030/image.svg" src="" /></td><td>YKXJCUWHMPOGTD-GCWFXXEKSA-N</td><td></td><td>[(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6-dien-17-yl]methyl heptadecanoate</td><td>568.883</td><td>1.33e-03 g/l</td><td>8.89</td><td>-5.63</td><td>InChI=1S/C37H60O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(38)41-28-37(39)27-36-24-20-31-30-22-25-40-32(30)21-23-35(31,2)33(36)19-18-29(37)26-36/h22,25,29,31,33,39H,3-21,23-24,26-28H2,1-2H3/t29-,31-,33+,35-,36+,37+/m1/s1</td><td>[H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCC1=C2C=CO1)[C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)C4
8</td><td>-2.745392583663205</td><td>13.752214944221015</td><td><a href="/food_sources/173">Arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002030">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2050"><td></td><td><a href="/entries/PHUB002031">Cafestol stearate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002031</td><td>2050</td><td>596.480460541</td><td>C<sub>39</sub>H<sub>64</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002031/image.svg" src="" /></td><td>FNJONHVYAFLGBB-HUQKSBPVSA-N</td><td></td><td>[(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6-dien-17-yl]methyl nonadecanoate</td><td>596.937</td><td>1.22e-03 g/l</td><td>9.34</td><td>-5.69</td><td>InChI=1S/C39H64O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(40)43-30-39(41)29-38-26-22-33-32-24-27-42-34(32)23-25-37(33,2)35(38)21-20-31(39)28-38/h24,27,31,33,35,41H,3-23,25-26,28-30H2,1-2H3/t31-,33-,35+,37-,38+,39+/m1/s1</td><td>[H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCC1=C2C=CO1)[C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)C4</td><td>-2.745392583663205</td><td>13.752214944221015</td><td><a href="/food_sources/173">Arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002031">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2051"><td></td><td><a href="/entries/PHUB002032">isoKahweol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002032</td><td>2051</td><td>314.188194697</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002032/image.svg" src="" /></td><td>FBPQUOTVJDTLEJ-KDLSBZNDSA-N</td><td></td><td>(1S,12S,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-3,5(9),6-trien-17-ol</td><td>314.425</td><td>3.21e-02 g/l</td><td>3.01</td><td>-3.99</td><td>InChI=1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h4,6,9,13,17,21-22H,2-3,5,7-8,10-12H2,1H3/t13?,17?,18-,19+,20+/m1/s1</td><td>C[C@@]12CCC3=C(C=CO3)C1=CC[C@@]13CC(CCC21)[C@@](O)(CO)C3</td><td>-2.7894379944364887</td><td>13.684962819969776</td><td><a href="/food_sources/373">Arabica coffee oil</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002032">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2052"><td></td><td><a href="/entries/PHUB002033">Kahweol linoleate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002033</td><td>2052</td><td>576.417860283</td><td>C<sub>38</sub>H<sub>56</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002033/image.svg" src="" /></td><td>IXGJXUJPPPSOLY-ZZUKZXIGSA-N</td><td></td><td>[(1S,12R,17S)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6,10-trien-17-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate</td><td>
8576.862</td><td>1.18e-03 g/l</td><td>9.09</td><td>-5.69</td><td>InChI=1S/C38H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)42-29-38(40)28-37-25-21-32-31-23-26-41-33(31)22-24-36(32,2)34(37)20-19-30(38)27-37/h7-8,10-11,22-24,26,30,32,34,40H,3-6,9,12-21,25,27-29H2,1-2H3/b8-7-,11-10-/t30?,32?,34?,36-,37-,38+/m0/s1</td><td>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]1(O)C[C@]23CC1CCC2[C@@]1(C)C=CC2=C(C=CO2)C1CC3</td><td>-2.792598844970369</td><td>13.752198991897757</td><td><a href="/food_sources/173">Arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002033">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2053"><td></td><td><a href="/entries/PHUB002034">Kahweol oleate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002034</td><td>2053</td><td>578.433510348</td><td>C<sub>38</sub>H<sub>58</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002034/image.svg" src="" /></td><td>MDXDAWWJXQHCAA-AVLAEDCVSA-N</td><td></td><td>[(1S,12R,17S)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6,10-trien-17-yl]methyl (9Z)-octadec-9-enoate</td><td>578.878</td><td>1.14e-03 g/l</td><td>9.35</td><td>-5.70</td><td>InChI=1S/C38H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)42-29-38(40)28-37-25-21-32-31-23-26-41-33(31)22-24-36(32,2)34(37)20-19-30(38)27-37/h10-11,22-24,26,30,32,34,40H,3-9,12-21,25,27-29H2,1-2H3/b11-10-/t30?,32?,34?,36-,37-,38+/m0/s1</td><td>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]1(O)C[C@]23CC1CCC2[C@@]1(C)C=CC2=C(C=CO2)C1CC3</td><td>-2.792598844970369</td><td>13.752198991897757</td><td><a href="/food_sources/173">Arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002034">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2054"><td></td><td><a href="/entries/PHUB002035">Kahweol palmitate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002035</td><td>2054</td><td>552.417860283</td><td>C<sub>36</sub>H<sub>56</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002035/image.svg" src="" /></td><td>UMZARYXKQBKPOL-UHFFFAOYSA-N</td><td></td><td>{17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6,10-trien-17-yl}methyl hexadecanoate</td><td>552.84</td><td>1.30e-03 g/l</td><td>8.76</td><td>-5.63</td><td>InChI=1S/C36H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)40-27-36(38)26-35-23-19-30-29-21-24-39-31(29)20-22-34(30,2)32(35)18-17-28(36)25-35/h20-22,24,28,30,32,38H,3-19,23,25-27H2,1-2H3</td><td>CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC2C1(C)C=CC2=C(C=CO2)C1CC3</td><td>-2.792598844970369</td><td>13.752198991897757</td><td><a href="/food_sources/173">Arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002035">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2055"><td></td><td><a href="/entries/PHUB002036">Kahweol stearate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002036</td><td>2055</td><td>580.449160412</td><td>C<sub>38</sub>H<sub>60</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002036/image.svg" src="" /></td><td>OLTNJPOJIQNIFK-JYWPBKCASA-N</td><td></td><td>[(1S,12R,17S)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6,10-trien-17-yl]methyl octadecanoate</td><td>580.894</td><td>1.12e-03 g/l</td><td>9.21</td><td>-5.71</td><td>InChI=1S/C38H60O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)42-29-38(40)28-37-25-21-32-31-23-26-41-33(31)22-24-36(32,2)34(37)20-19-30(38)27-37/h22-24,26,30,32,34,40H,3-21,25,27-29H2,1-2H3/t30?,32?,34?,36-,37-,38+/m0/s1</td><td>CCCCCCCCCCCCCCCCCC(=O)OC[C@]1(O)C[C@]23CC1CCC2[C@@]1(C)C=CC2=C(C=CO2)C1CC3</td><td>-2.792598844970369</td><td>13.752198991897757</td><td><a href="/food_sources/173">Arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002036">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2062"><td></td><td><a href="/entries/PHUB002037">isorosmanol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002037</td><td>2062</td><td>348.193674002</td><td>C<sub>20</sub>H<sub>28</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002037/image.svg" src="" /></td><td>IIVYBNOCPTUYEX-ISRXXPTPSA-N</td><td></td><td>(1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2,4-dien-15-one</td><td>348.439</td><td>1.03e+00 g/l</td><td>1.81</td><td>-2.53</td><td>InChI=1S/C20H28O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h9,11,15-17,21-23H,5-8H2,1-4H3/t11?,15-,16+,17-,20-/m0/s1</td><td>[H]O[C@H]1[C@]2([H])OC(=O)[C@@]3(CCCC(C)(C)[C@]13[H])C1=C(O[H])C(O[H])=C(CC21)C(C)C</td><td>-3.3038534959507735</td><td>8.866117720654863</td><td><a href="/food_sources/134">Rosemary</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002037">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2063"><td></td><td><a href="/entries/PHUB002038">Epiisorosmanol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002038</td><td>2063</td><td>346.178023937</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6beta-Hydroxycarnosol</td><td class="structure"><img data-src="/structures/PHUB002038/image.svg" src="" /></td><td>UXVPWKDITRJELA-WWNBULGVSA-N</td><td></td><td>(1R,8R,9S,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one</td><td>346.423</td><td>7.74e-01 g/l</td><td>3.23</td><td>-2.65</td><td>InChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3/t15-,16-,17+,20+/m1/s1</td><td>CC(C)C1=C(O)C(O)=C2C(=C1)[C@H]1OC(=O)[C@@]22CCCC(C)(C)[C@@H]2[C@@H]1O</td><td>-3.3460793334908083</td><td>9.17673808522416</td><td><a href="/food_sources/134">Rosemary</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002038">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2064"><td></td><td><a href="/entries/PHUB002039">Sageone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002039</td><td>2064</td><td>300.172544633</td><td>C<sub>19</sub>H<sub>24</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4(1H)-phenanthrenone, 2,3,9,10-tetrahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl); 5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,9,10-hexahydrophenanthren-4-one; 5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,9,10-tetrahydrophenanthren-4-one; 5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3,9,10-tetrahydrophenanthren-4-one</td><td class="structure"><img data-src="/structures/PHUB002039/image.svg" src="" /></td><td>NPQAMUFQEFLLCY-UHFFFAOYSA-N</td><td></td><td>5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,9,10-hexahydrophenanthren-4-one</td><td>300.398</td><td>2.70e-02 g/l</td><td>4.15</td><td>-4.05</td><td>InChI=1S/C19H24O3/c1-10(2)12-9-11-5-6-13-16(15(11)18(22)17(12)21)14(20)7-8-19(13,3)4/h9-10,21-22H,5-8H2,1-4H3</td><td>CC(C)C1=C(O)C(O)=C2C(CCC3=C2C(=O)CCC3(C)C)=C1</td><td>-5.3162756502594535</td><td>9.099790010086057</td><td><a href="/food_sources/134">Rosemary</a> / <a href="/food_sources/378">White sage (Salvia apiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002039">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2065"><td></td><td><a href="/entries/PHUB002040">16-Hydroxycarnosol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002040</td><td>2065</td><td>346.178023937</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002040/image.svg" src="" /></td><td>MWLHJCBZAWPKEY-FXYJVSRZSA-N</td><td></td><td>(1R)-3,4-dihydroxy-5-(1-hydroxypropan-2-yl)-11,11-dimethyl-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one</td><td>346.423</td><td>1.46e-01 g/l</td><td>3.05</td><td>-3.37</td><td>InChI=1S/C20H26O5/c1-10(9-21)11-7-12-13-8-14-19(2,3)5-4-6-20(14,18(24)25-13)15(12)17(23)16(11)22/h7,10,13-14,21-23H,4-6,8-9H2,1-3H3/t10?,13?,14?,20-/m1/s1</td><td>CC(CO)C1=C(O)C(O)=C2C(=C1)C1CC3C(C)(C)CCC[C@]23C(=O)O1</td><td>-2.67237343164975</td><td>9.119295817105517</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002040">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2066"><td></td><td><a href="/entries/PHUB002041">Rosmadiphenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002041</td><td>2066</td><td>316.203844762</td><td>C<sub>20</sub>H<sub>28</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>14,15-dihydroxy-7,7-dimethyl-13-(propan-2-yl)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),12,14-trien-2-on; 14,15-dihydroxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one</td><td class="structure"><img data-src="/structures/PHUB002041/image.svg" src="" /></td><td>WIEOUDNBMYRSRD-UHFFFAOYSA-N</td><td></td><td>4,5-dihydroxy-12,12-dimethyl-6-(propan-2-yl)tricyclo[9.4.0.0^{3,8}]pentadeca-3,5,7-trien-2-one</td><td>316.441</td><td>3.46e-02 g/l</td><td>4.40</td><td>-3.96</td><td>InChI=1S/C20H28O3/c1-11(2)14-10-12-7-8-15-13(6-5-9-20(15,3)4)17(21)16(12)19(23)18(14)22/h10-11,13,15,22-23H,5-9H2,1-4H3</td><td>CC(C)C1=C(O)C(O)=C2C(CCC3C(CCCC3(C)C)C2=O)=C1</td><td>-5.629823483658896</td><td>9.306136349198672</td><td><a href="/food_sources/134">Rosemary</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002041">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2067"><td></td><td><a href="/entries/PHUB002042">Rosmaquinone A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002042</td><td>2067</td><td>358.178023937</td><td>C<sub>21</sub>H<sub>26</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002042/image.svg" src="" /></td><td>CEYZNONDZLXUNG-XFYJMZHFSA-N</td><td></td><td>(1R,8R)-8-methoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2(7),5-diene-3,4,15-trione</td><td>358.434</td><td>2.22e-02 g/l</td><td>3.13</td><td>-4.21</td><td>InChI=1S/C21H26O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18H,6-8H2,1-5H3/t16-,17?,18?,21+/m1/s1</td><td>CO[C@H]1C2OC(=O)[C@@]3(CCCC(C)(C)C23)C2=C1C=C(C(C)C)C(=O)C2=O</td><td>-4.172457333166413</td><td></td><td><a href="/food_sources/134">Rosemary</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002042">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2068"><td></td><td><a href="/entries/PHUB002043">Rosmaquinone B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002043</td><td>2068</td><td>358.178023937</td><td>C<sub>21</sub>H<sub>26</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002043/image.svg" src="" /></td><td>CEYZNONDZLXUNG-RJPLPAITSA-N</td><td></td><td>(1R,8S)-8-methoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2(7),5-diene-3,4,15-trione</td><td>358.434</td><td>2.22e-02 g/l</td><td>3.13</td><td>-4.21</td><td>InChI=1S/C21H26O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18H,6-8H2,1-5H3/t16-,17?,18?,21-/m0/s1</td><td>CO[C@@H]1C2OC(=O)[C@@]3(CCCC(C)(C)C23)C2=C1C=C(C(C)C)C(=O)C2=O</td><td>-4.172457333166413</td><td></td><td><a href="/food_sources/134">Rosemary</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002043">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2069"><td></td><td><a href="/entries/PHUB002044">Steviol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002044</td><td>2069</td><td>318.219494826</td><td>C<sub>20</sub>H<sub>30</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(-)-Steviol; (14-alpha)-13-Hydroxykaur-16-en-18-oic acid; (4alpha)-13-Hydroxykaur-16-en-18-oic acid hydrate; 13alpha-hydroxy-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid; Hydroxydehydrostevic acid; Steviol (Hydroxydehydrostevic acid); Steviol hydrate</td><td class="structure"><img data-src="/structures/PHUB002044/image.svg" src="" /></td><td>QFVOYBUQQBFCRH-VQSWZGCSSA-N</td><td>471-80-7</td><td>
8(1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid</td><td>318.457</td><td>1.58e-02 g/l</td><td>3.18</td><td>-4.31</td><td>InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1</td><td>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O</td><td>-0.9240323527129165</td><td>4.704006032449091</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002044">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2070"><td></td><td><a href="/entries/PHUB002045">Stevioside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002045</td><td>2070</td><td>804.377965092</td><td>C<sub>38</sub>H<sub>60</sub>O<sub>18</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Steviosin</td><td class="structure"><img data-src="/structures/PHUB002045/image.svg" src="" /></td><td>UEDUENGHJMELGK-HYDKPPNVSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9S,10R,13S)-13-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate</td><td>804.88</td><td>4.51e+00 g/l</td><td>-1.20</td><td>-2.25</td><td>InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1</td><td>[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]2([H])O[C@@]23C[C@]4(CC2=C)CC[C@]2([H])[C@@](C)(CCC[C@@]2(C)[C@]4([H])CC3)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.6483775957536797</td><td>11.841073042119964</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td><a href="/entries/PHUB002092">Steviol glucuronide</a> / <a href="/entries/PHUB002044">Steviol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002045">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2071"><td></td><td><a href="/entries/PHUB002046">Caffarolide A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002046</td><td>2071</td><td>572.407689523</td><td>C<sub>35</sub>H<sub>56</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002046/image.svg" src="" /></td><td>JONCHSJGLDZBNS-JVCQSHISSA-N</td><td></td><td>15-{[(1S,4S,9R,12S,17R)-9,17-dihydroxy-7-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-5-en-17-yl]methoxy}hexadecanal</td><td>572.827</td><td>2.05e-04 g/l</td><td>6.81</td><td>-6.45</td><td>InChI=1S/C35H56O6/c1-26(14-12-10-8-6-4-2-3-5-7-9-11-13-21-36)40-25-34(38)24-33-19-17-29-28(30(33)16-15-27(34)23-33)18-20-35(39)31(29)22-32(37)41-35/h21-22,26-30,38-39H,2-20,23-25H2,1H3/t26?,27?,28-,29+,30?,33+,34+,35-/m1/s1</td><td>[H]C1C[C@@]2(O)OC(=O)C=C2[C@@]2([H])CC[C@@]34CC(CCC3[C@]12[H])[C@@](O)(COC(C)CCCCCCCCCCCCCC=O)C4</td><td>-3.3340597557293203</td><td>11.270145327266114</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002046">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2072"><td></td><td><a href="/entries/PHUB002047">Caffarolide B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002047</td><td>2072</td><td>586.423339588</td><td>C<sub>36</sub>H<sub>58</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002047/image.svg" src="" /></td><td>XLKFUMHNYWPWRE-ZAPSMSBRSA-N</td><td></td><td>16-{[(1S,4S,9R,12S,17R)-9,17-dihydroxy-7-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-5-en-17-yl]methoxy}heptadecanal</td><td>586.854</td><td>1.62e-04 g/l</td><td>7.13</td><td>-6.56</td><td>InChI=1S/C36H58O6/c1-27(15-13-11-9-7-5-3-2-4-6-8-10-12-14-22-37)41-26-35(39)25-34-20-18-30-29(31(34)17-16-28(35)24-34)19-21-36(40)32(30)23-33(38)42-36/h22-23,27-31,39-40H,2-21,24-26H2,1H3/t27?,28?,29-,30+,31?,34+,35+,36-/m1/s1</td><td>[H]C1C[C@@]2(O)OC(=O)C=C2[C@@]2([H])CC[C@@]34CC(CCC3[C@]12[H])[C@@](O)(COC(C)CCCCCCCCCCCCCCC=O)C4</td><td>-3.3340597557293203</td><td>11.270145327266114</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002047">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2073"><td></td><td><a href="/entries/PHUB002048">Caffarolide C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002048</td><td>2073</td><td>586.423339588</td><td>C<sub>36</sub>H<sub>58</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002048/image.svg" src="" /></td><td>XLKFUMHNYWPWRE-ZAPSMSBRSA-N</td><td></td><td>16-{[(1S,4S,9R,12S,17R)-9,17-dihydroxy-7-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-5-en-17-yl]methoxy}heptadecanal</td><td>586.854</td><td>1.62e-04 g/l</td><td>7.13</td><td>-6.56</td><td>InChI=1S/C36H58O6/c1-27(15-13-11-9-7-5-3-2-4-6-8-10-12-14-22-37)41-26-35(39)25-34-20-18-30-29(31(34)17-16-28(35)24-34)19-21-36(40)32(30)23-33(38)42-36/h22-23,27-31,39-40H,2-21,24-26H2,1H3/t27?,28?,29-,30+,31?,34+,35+,36-/m1/s1</td><td>[H]C1C[C@@]2(O)OC(=O)C=C2[C@@]2([H])CC[C@@]34CC(CCC3[C@]12[H])[C@@](O)(COC(C)CCCCCCCCCCCCCCC=O)C4</td><td>-3.3340597557293203</td><td>11.270145327266114</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002048">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2074"><td></td><td><a href="/entries/PHUB002049">Caffarolide D</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002049</td><td>2074</td><td>602.418254208</td><td>C<sub>36</sub>H<sub>58</sub>O<sub>7</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002049/image.svg" src="" /></td><td>VGGNNSUAZOODRF-AEEXCMIYSA-N</td><td></td><td>15-{[(1S,4S,9R,11R,12S,17R)-9,17-dihydroxy-11-methoxy-7-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-5-en-17-yl]methoxy}hexadecanal</td><td>602.853</td><td>2.13e-04 g/l</td><td>6.15</td><td>-6.45</td><td>InChI=1S/C36H58O7/c1-26(15-13-11-9-7-5-3-4-6-8-10-12-14-20-37)42-25-35(39)24-34-19-18-28-30-21-32(38)43-36(30,40)23-31(41-2)33(28)29(34)17-16-27(35)22-34/h20-21,26-29,31,33,39-40H,3-19,22-25H2,1-2H3/t26?,27?,28-,29?,31-,33-,34+,35+,36-/m1/s1</td><td>[H][C@]12CC[C@@]34CC(CCC3[C@]1([H])[C@@H](C[C@@]1(O)OC(=O)C=C21)OC)[C@@](O)(COC(C)CCCCCCCCCCCCCC=O)C4</td><td>-3.3340606055295274</td><td>11.185828327862264</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002049">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2075"><td></td><td><a href="/entries/PHUB002050">Caffarolide E</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002050</td><td>2075</td><td>602.418254208</td><td>C<sub>36</sub>H<sub>58</sub>O<sub>7</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002050/image.svg" src="" /></td><td>RDRCNMSYNMOQSU-AEEXCMIYSA-N</td><td></td><td>16-{[(1S,4S,9R,11R,12S,17R)-9,11,17-trihydroxy-7-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadec-5-en-17-yl]methoxy}heptadecanal</td><td>602.853</td><td>5.84e-04 g/l</td><td>6.18</td><td>-6.01</td><td>InChI=1S/C36H58O7/c1-26(15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-37)42-25-35(40)24-34-19-18-28-30-21-32(39)43-36(30,41)23-31(38)33(28)29(34)17-16-27(35)22-34/h20-21,26-29,31,33,38,40-41H,2-19,22-25H2,1H3/t26?,27?,28-,29?,31-,33-,34+,35+,36-/m1/s1</td><td>[H][C@]12CC[C@@]34CC(CCC3[C@]1([H])[C@H](O)C[C@@]1(O)OC(=O)C=C21)[C@@](O)(COC(C)CCCCCCCCCCCCCCC=O)C4</td><td>-2.9153531052950656</td><td>11.186178276478044</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002050">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2076"><td></td><td><a href="/entries/PHUB002051">Caffarolide F</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002051</td><td>2076</td><td>594.392039459</td><td>C<sub>37</sub>H<sub>54</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002051/image.svg" src="" /></td><td>MHYIYOMRMZPBFV-YVNQMPKCSA-N</td><td></td><td>(10Z,13E)-18-{[(1S,11S,17R)-11,17-dihydroxy-7-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5,9-dien-17-yl]methoxy}octadeca-10,13-dienal</td><td>594.833</td><td>6.01e-04 g/l</td><td>7.28</td><td>-6.00</td><td>InChI=1S/C37H54O6/c38-21-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22-42-27-37(41)26-36-20-19-29-30-23-34(40)43-33(30)24-32(39)35(29)31(36)18-17-28(37)25-36/h2,4,8,10,21,23-24,28-29,31-32,35,39,41H,1,3,5-7,9,11-20,22,25-27H2/b4-2-,10-8+/t28?,29?,31?,32-,35?,36+,37+/m1/s1</td><td>O[C@@H]1C=C2OC(=O)C=C2C2CC[C@@]34CC(CCC3C12)[C@@](O)(COCCCC\C=C\C\C=C/CCCCCCCCC=O)C4</td><td>-3.052610385407702</td><td>13.687875111276721</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002051">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2077"><td></td><td><a href="/entries/PHUB002052">Caffarolide G</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002052</td><td>2077</td><td>608.407689523</td><td>C<sub>38</sub>H<sub>56</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002052/image.svg" src="" /></td><td>VSDITDSJXKJBKO-KBBBHREUSA-N</td><td></td><td>(10Z,13E)-18-{[(1S,4S,11S,12S,17R)-11,17-dihydroxy-7-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5,9-dien-17-yl]methoxy}nonadeca-10,13-dienal</td><td>608.86</td><td>5.00e-04 g/l</td><td>7.50</td><td>-6.09</td><td>InChI=1S/C38H56O6/c1-28(17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22-39)43-27-38(42)26-37-21-20-30-31-23-35(41)44-34(31)24-33(40)36(30)32(37)19-18-29(38)25-37/h3,5,9,11,22-24,28-30,32-33,36,40,42H,2,4,6-8,10,12-21,25-27H2,1H3/b5-3-,11-9+/t28?,29?,30-,32?,33-,36-,37+,38+/m1/s1</td><td>[H][C@]12CC[C@@]34CC(CCC3[C@]1([H])[C@H](O)C=C1OC(=O)C=C21)[C@@](O)(COC(C)CCC\C=C\C\C=C/CCCCCCCCC=O)C4</td><td>-3.0526103854077062</td><td>13.687303030465715</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002052">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2078"><td></td><td><a href="/entries/PHUB002053">Caffarolide H</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002053</td><td>2078</td><td>580.376389394</td><td>C<sub>36</sub>H<sub>52</sub>O<sub>6</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002053/image.svg" src="" /></td><td>SHMMQCCBOUQFCJ-ARZQGUFSSA-N</td><td></td><td>(9E,12Z)-11-{[(1S,4S,11S,12S,17R)-11,17-dihydroxy-7-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5,9-dien-17-yl]methoxy}heptadeca-9,12-dienal</td><td>580.806</td><td>1.04e-03 g/l</td><td>6.94</td><td>-5.75</td><td>InChI=1S/C36H52O6/c1-2-3-4-11-14-27(15-12-9-7-5-6-8-10-13-20-37)41-25-36(40)24-35-19-18-28-29-21-33(39)42-32(29)22-31(38)34(28)30(35)17-16-26(36)23-35/h11-12,14-15,20-22,26-28,30-31,34,38,40H,2-10,13,16-19,23-25H2,1H3/b14-11-,15-12+/t26?,27?,28-,30?,31-,34-,35+,36+/m1/s1</td><td>[H][C@]12CC[C@@]34CC(CCC3[C@]1([H])[C@H](O)C=C1OC(=O)C=C21)[C@@](O)(COC(\C=C/CCCC)\C=C\CCCCCCCC=O)C4</td><td>-3.052610385407715</td><td>13.685960745277374</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002053">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2079"><td></td><td><a href="/entries/PHUB002054">Mascaroside III</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002054</td><td>2079</td><td>684.278191477</td><td>C<sub>36</sub>H<sub>44</sub>O<sub>13</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002054/image.svg" src="" /></td><td>ZLDOZMNYMGWHLY-AFIFYKMBSA-N</td><td></td><td>methyl (2E)-3-{3-[(6-{[(1S,4S,12R,13R,14S,16S,17R)-14,17-dihydroxy-12-methyl-10-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6-dien-17-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-4-hydroxyphenyl}prop-2-enoate</td><td>684.735</td><td>1.93e-01 g/l</td><td>1.83</td><td>-3.55</td><td>InChI=1S/C36H44O13/c1-34-14-24(39)31-20(8-10-46-31)21(34)7-9-35-13-19(12-23(38)32(34)35)36(44,16-35)17-48-33-30(43)29(42)28(41)26(49-33)15-47-25-11-18(3-5-22(25)37)4-6-27(40)45-2/h3-6,8,10-11,19,21,23,26,28-30,32-33,37-38,41-44H,7,9,12-17H2,1-2H3/b6-4+/t19-,21-,23+,26?,28?,29?,30?,32+,33?,34-,35+,36+/m1/s1</td><td>[H]OC1=C(OCC2OC(OC[C@@]3(O)C[C@]45C[C@H]3C[C@H](O)[C@@]4([H])[C@]3(C)CC(=O)C4=C(C=CO4)[C@@]3([H])CC5)C(O)C(O)C2O)C=C(\C=C\C(=O)OC([H])([H])[H])C=C1</td><td>-2.842403878944671</td><td>9.84135667145664</td><td><a href="/food_sources/384">Roasted arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002054">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2080"><td></td><td><a href="/entries/PHUB002055">Mascaroside IV</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002055</td><td>2080</td><td>714.288756161</td><td>C<sub>37</sub>H<sub>46</sub>O<sub>14</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002055/image.svg" src="" /></td><td>IUKGLEWESBGLBL-XCJKRFKGSA-N</td><td></td><td>methyl (2E)-3-{4-[(6-{[(1S,4S,12R,13S,14S,16S,17R)-14,17-dihydroxy-10-oxo-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6-dien-17-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,5-dimethoxyphenyl}prop-2-enoate</td><td>714.761</td><td>1.92e-01 g/l</td><td>1.30</td><td>-3.57</td><td>InChI=1S/C37H46O14/c1-45-25-10-18(4-5-28(40)47-3)11-26(46-2)34(25)49-15-27-30(41)31(42)32(43)35(51-27)50-17-37(44)16-36-8-6-20-21-7-9-48-33(21)24(39)13-22(20)29(36)23(38)12-19(37)14-36/h4-5,7,9-11,19-20,22-23,27,29-32,35,38,41-44H,6,8,12-17H2,1-3H3/b5-4+/t19-,20-,22-,23+,27?,29-,30?,31?,32?,35?,36+,37+/m1/s1</td><td>[H]C([H])([H])OC(=O)\C=C\C1=CC(OC)=C(OCC2OC(OC[C@@]3(O)C[C@]45C[C@H]3C[C@H](O)[C@@]4([H])[C@]3([H])CC(=O)C4=C(C=CO4)[C@@]3([H])CC5)C(O)C(O)C2O)C(OC
8)=C1</td><td>-2.838772282440596</td><td>12.199496512553864</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002055">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2081"><td></td><td><a href="/entries/PHUB002056">Mascaroside V</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002056</td><td>2081</td><td>386.209324066</td><td>C<sub>23</sub>H<sub>30</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002056/image.svg" src="" /></td><td>PBWMBXWDLWAMRM-VVXAZOIHSA-N</td><td></td><td>(1'S,4'S,12'R,13'R,14'S,16'R)-14'-hydroxy-5,5,12'-trimethyl-8'-oxaspiro[1,4-dioxolane-2,17'-pentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadecane]-5'(9'),6'-dien-10'-one</td><td>386.488</td><td>3.04e-02 g/l</td><td>2.36</td><td>-4.10</td><td>InChI=1S/C23H30O5/c1-20(2)27-12-23(28-20)11-22-6-4-15-14-5-7-26-18(14)17(25)10-21(15,3)19(22)16(24)8-13(23)9-22/h5,7,13,15-16,19,24H,4,6,8-12H2,1-3H3/t13-,15+,16-,19-,21+,22-,23?/m0/s1</td><td>[H][C@]12CC[C@@]34C[C@H](C[C@H](O)[C@@]3([H])[C@]1(C)CC(=O)C1=C2C=CO1)C1(COC(C)(C)O1)C4</td><td>-2.842410921240255</td><td>14.85731131515934</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002056">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2082"><td></td><td><a href="/entries/PHUB002057">20-nor-cofaryloside I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002057</td><td>2082</td><td>334.214409446</td><td>C<sub>20</sub>H<sub>30</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002057/image.svg" src="" /></td><td>XCVYSZKHDFAIHD-NGTVOIFHSA-N</td><td></td><td>(1S,2R,6R,8S,11R,12R)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-15-oxapentacyclo[11.2.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-14-one</td><td>334.456</td><td>5.89e-02 g/l</td><td>1.78</td><td>-3.75</td><td>InChI=1S/C20H30O4/c1-12-14-4-8-20(24-16(14)22)15(12)5-7-18-9-13(3-6-17(18,20)2)19(23,10-18)11-21/h12-15,21,23H,3-11H2,1-2H3/t12-,13?,14?,15+,17+,18-,19-,20-/m0/s1</td><td>[H][C@]12CC[C@@]34CC(CC[C@@]3(C)[C@]11CCC([C@@H]2C)C(=O)O1)[C@@](O)(CO)C4</td><td>-3.075757797732578</td><td>13.684916191881502</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002057">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2083"><td></td><td><a href="/entries/PHUB002058">20-nor-cofaryloside II</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002058</td><td>2083</td><td>392.256274259</td><td>C<sub>23</sub>H<sub>36</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002058/image.svg" src="" /></td><td>XAZNQMJCWUFFAV-HHWNAZJKSA-N</td><td></td><td>(1'S,2R,4'S,5'S,9'R,10'S,13'R)-9'-hydroxy-5,5,5',10'-tetramethylspiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane]-5'-carboxylic acid</td><td>392.536</td><td>5.23e-03 g/l</td><td>3.42</td><td>-4.88</td><td>InChI=1S/C23H36O5/c1-18(2)27-14-22(28-18)13-21-11-7-16-19(3,17(24)25)8-5-9-23(16,26)20(21,4)10-6-15(22)12-21/h15-16,26H,5-14H2,1-4H3,(H,24,25)/t15-,16+,19+,20+,21+,22+,23-/m1/s1</td><td>[H][C@@]12CC[C@@]34C[C@@H](CC[C@]3(C)[C@@]1(O)CCC[C@]2(C)C(O)=O)[C@@]1(COC(C)(C)O1)C4</td><td>-3.1756061238522766</td><td>4.363315655025397</td><td><a href="/food_sources/383">Green arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002058">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2084"><td></td><td><a href="/entries/PHUB002059">Paniculoside VI</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002059</td><td>2084</td><td>642.304012301</td><td>C<sub>35</sub>H<sub>46</sub>O<sub>11</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002059/image.svg" src="" /></td><td>XQHWFSQHOPUSQQ-JKXMCDIQSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl (1S,5R,9S,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-3-ene-5-carboxylate</td><td>642.742</td><td>5.43e-02 g/l</td><td>2.53</td><td>-4.07</td><td>InChI=1S/C35H46O11/c1-32-13-3-14-33(2,24(32)12-15-34-16-21(7-10-25(32)34)35(43,18-34)19-37)31(42)46-30-29(28(41)27(40)23(17-36)44-30)45-26(39)11-6-20-4-8-22(38)9-5-20/h4-6,8-9,11-12,21,23,25,27-30,36-38,40-41,43H,3,7,10,13-19H2,1-2H3/b11-6+/t21?,23-,25?,27-,28+,29-,30+,32-,33-,34+,35+/m1/s1</td><td>C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)\C=C\C3=CC=C(O)C=C3)C1=CC[C@@]13CC(CCC21)[C@@](O)(CO)C3</td><td>-2.9810943291388607</td><td>9.398325774779707</td><td><a href="/food_sources/384">Roasted arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002059">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2085"><td></td><td><a href="/entries/PHUB002060">Cofaryloside I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002060</td><td>2085</td><td>632.283276857</td><td>C<sub>33</sub>H<sub>44</sub>O<sub>12</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002060/image.svg" src="" /></td><td>PHXOQJTVMPSDAD-RWXRVYDKSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyloxy)-6-(hydroxymethyl)oxan-2-yl (1S,5R,9R,10S,14R)-10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-3-ene-5-carboxylate</td><td>632.703</td><td>3.04e-01 g/l</td><td>1.21</td><td>-3.32</td><td>InChI=1S/C33H44O12/c1-29(10-3-11-30(2)22(29)9-12-31-14-19(8-13-33(30,31)42)32(41,16-31)17-35)28(40)45-27-25(24(38)23(37)21(15-34)43-27)44-26(39)18-4-6-20(36)7-5-18/h4-7,9,19,21,23-25,27,34-38,41-42H,3,8,10-17H2,1-2H3/t19?,21-,23-,24+,25-,27+,29-,30-,31+,32+,33-/m1/s1</td><td>C[C@]1(CCC[C@]2(C)C1=CC[C@@]13CC(CC[C@@]21O)[C@@](O)(CO)C3)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)C1=CC=C(O)C=C1</td><td>-2.9810943291502934</td><td>8.490313918655062</td><td><a href="/food_sources/384">Roasted arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002060">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2086"><td></td><td><a href="/entries/PHUB002061">Villanovane I</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002061</td><td>2086</td><td>496.267232868</td><td>C<sub>26</sub>H<sub>40</sub>O<sub>9</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002061/image.svg" src="" /></td><td>JASMPJFUPMIAFM-PWNYSOLVSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1S,2R,6R,12R)-12-hydroxy-12-(hydroxymethyl)-2,6-dimethyltetracyclo[11.2.1.0^{1,10}.0^{2,7}]hexadec-9-ene-6-carboxylate</td><td>496.597</td><td>8.50e-01 g/l</td><td>0.37</td><td>-2.77</td><td>InChI=1S/C26H40O9/c1-23(22(32)35-21-20(31)19(30)18(29)16(12-27)34-21)7-3-8-24(2)17(23)5-4-14-11-26(33,13-28)15-6-9-25(14,24)10-15/h4,15-21,27-31,33H,3,5-13H2,1-2H3/t15?,16-,17?,18-,19+,20-,21+,23-,24-,25+,26+/m1/s1</td><td>C[C@]1(CCC[C@]2(C)C1CC=C1C[C@](O)(CO)C3CC[C@@]21C3)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810936801694723</td><td>12.180609667462544</td><td><a href="/food_sources/384">Roasted arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002061">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2087"><td></td><td><a href="/entries/PHUB002062">Mozambioside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002062</td><td>2087</td><td>508.230847359</td><td>C<sub>26</sub>H<sub>36</sub>O<sub>10</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002062/image.svg" src="" /></td><td>FNIBRRHOZLASGI-UHFFFAOYSA-N</td><td>70717-95-2</td><td>17-hydroxy-17-(hydroxymethyl)-12-methyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[14.2.1.0^{1,13}.0^{4,12}.0^{5,9}]nonadeca-5(9),6-dien-10-one</td><td>508.564</td><td>2.39e+00 g/l</td><td>-0.77</td><td>-2.33</td><td>InChI=1S/C26H36O10/c1-24-8-15(29)21-13(3-5-34-21)14(24)2-4-25-7-12(26(33,10-25)11-28)6-16(22(24)25)35-23-20(32)19(31)18(30)17(9-27)36-23/h3,5,12,14,16-20,22-23,27-28,30-33H,2,4,6-11H2,1H3</td><td>CC12CC(=O)C3=C(C=CO3)C1CCC13CC(CC(OC4OC(CO)C(O)C(O)C4O)C21)C(O)(CO)C3</td><td>-2.981083542798875</td><td>12.196036400181647</td><td><a href="/food_sources/384">Roasted arabica coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002062">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2088"><td></td><td><a href="/entries/PHUB002063">Bengalensol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002063</td><td>2088</td><td>330.183109317</td><td>C<sub>20</sub>H<sub>26</sub>O<sub>4</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002063/image.svg" src="" /></td><td>YANUZUAPWHSRRX-YMKPUJIPSA-N</td><td></td><td>(1S,12R,16R)-16-(hydroxymethyl)-12-methyl-8,15-dioxahexacyclo[14.2.1.1^{14,17}.0^{1,13}.0^{4,12}.0^{5,9}]icos-5(9)-en-10-one</td><td>330.424</td><td>5.64e-02 g/l</td><td>1.30</td><td>-3.77</td><td>InChI=1S/C20H26O4/c1-18-8-14(22)16-12(3-5-23-16)13(18)2-4-19-7-11-6-15(17(18)19)24-20(11,9-19)10-21/h11,13,15,17,21H,2-10H2,1H3/t11?,13?,15?,17?,18-,19+,20+/m1/s1</td><td>C[C@@]12CC(=O)C3=C(CCO3)C1CC[C@]13CC4CC(O[C@]4(CO)C1)C23</td><td>-3.080192567131614</td><td>14.356669942543178</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002063">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2089"><td></td><td><a href="/entries/PHUB002064">Steviolbioside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002064</td><td>2089</td><td>642.32514167</td><td>C<sub>32</sub>H<sub>50</sub>O<sub>13</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(-)-Steviolbioside</td><td class="structure"><img data-src="/structures/PHUB002064/image.svg" src="" /></td><td>OMHUCGDTACNQEX-YXHQYMSVSA-N</td><td>41093-60-1</td><td>(1R,5R,9S,13S)-13-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid</td><td>642.739</td><td>1.37e+00 g/l</td><td>-0.05</td><td>-2.67</td><td>InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18?,19?,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1</td><td>C[C@@]12CCC[C@](C)(C1CC[C@@]13CC(=C)[C@@](C1)(CCC23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O</td><td>-2.981083576687362</td><td>4.590477835538766</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002064">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2090"><td></td><td><a href="/entries/PHUB002065">Dulcoside A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002065</td><td>2090</td><td>788.383050472</td><td>C<sub>38</sub>H<sub>60</sub>O<sub>17</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002065/image.svg" src="" /></td><td>CANAPGLEBDTCAF-NDPBZPQMSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,5R,9S,13S)-13-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate</td><td>788.881</td><td>2.28e+00 g/l</td><td>-1.20</td><td>-2.54</td><td>InChI=1S/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20?,21?,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37+,38-/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@]23C[C@]4(CC2=C)CCC2[C@@](C)(CCC[C@@]2(C)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C4CC3)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.6121826294395807</td><td>11.846118362935682</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002065">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2091"><td></td><td><a href="/entries/PHUB002066">Rebaudioside A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002066</td><td>2091</td><td>966.430788514</td><td>C<sub>44</sub>H<sub>70</sub>O<sub>23</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Rebaudiana a; Stevioside A3; Truvia</td><td class="structure"><img data-src="/structures/PHUB002066/image.svg" src="" /></td><td>HELXLJCILKEWJH-UXNRVLLZSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,5R,9S,13S)-13-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate</td><td>967.021</td><td>1.44e+01 g/l</td><td>-1.45</td><td>-1.83</td><td>InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-33(58)30(55)26(51)20(14-47)62-38)23(43)6-10-44(17,16-43)67-39-35(65-37-32(57)29(54)25(50)19(13-46)61-37)34(27(52)21(15-48)63-39)64-36-31(56)28(53)24(49)18(12-45)60-36/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22?,23?,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1</td><td>C[C@@]12CCC[C@](C)(C1CC[C@@]13CC(=C)[C@@](C1)(CCC23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.648397751535034</td><td>11.750304583017469</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td><a href="/entries/PHUB002092">Steviol glucuronide</a> / <a href="/entries/PHUB002044">Steviol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002066">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2092"><td></td><td><a href="/entries/PHUB002067">Rebaudioside B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002067</td><td>2092</td><td>804.377965092</td><td>C<sub>38</sub>H<sub>60</sub>O<sub>18</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Stevioside A4</td><td class="structure"><img data-src="/structures/PHUB002067/image.svg" src="" /></td><td>DRSKVOAJKLUMCL-DPTONFDPSA-N</td><td>58543-17-2</td><td>(1R,5R,9S,13S)-13-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid</td><td>804.88</td><td>6.28e+00 g/l</td><td>-1.06</td><td>-2.11</td><td>InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20?,21?,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1</td><td>C[C@@]12CCC[C@](C)(C1CC[C@@]13CC(=C)[C@@](C1)(CCC23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O</td><td>-3.64837757528178</td><td>4.59047782699569</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002067">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2093"><td></td><td><a href="/entries/PHUB002068">Rebaudioside C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002068</td><td>2093</td><td>950.435873894</td><td>C<sub>44</sub>H<sub>70</sub>O<sub>22</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002068/image.svg" src="" /></td><td>QSRAJVGDWKFOGU-DADQEYCJSA-N</td><td>63550-99-2</td><td>(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,5R,9S,13S)-13-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate</td><td>951.022</td><td>1.10e+01 g/l</td><td>-1.14</td><td>-1.94</td><td>InChI=1S/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22?,23?,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43+,44-/m0/s1</td><td>C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@]34C[C@]5(CC3=C)CCC3[C@@](C)(CCC[C@@]3(C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C5CC4)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O</td><td>-3.648397751535034</td><td>11.75066207027187</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002068">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2094"><td></td><td><a href="/entries/PHUB002069">Rebaudioside D</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002069</td><td>2094</td><td>1128.483611936</td><td>C<sub>50</sub>H<sub>80</sub>O<sub>28</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(-)-Rebaudioside D; Reb D; Reb-D; Rebaudioside D, (-)-; Rebaudioside-D</td><td class="structure"><img data-src="/structures/PHUB002069/image.svg" src="" /></td><td>RPYRMTHVSUWHSV-UHFFFAOYSA-N</td><td>63279-13-0</td><td>4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 13-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate</td><td>1129.162</td><td>2.30e+01 g/l</td><td>-1.89</td><td>-1.69</td><td>InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3</td><td>CC12CCCC(C)(C1CCC13CC(=C)C(C1)(CCC23)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O</td><td>-3.6555430198915224</td><td>11.750581418900856</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002069">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2095"><td></td><td><a href="/entries/PHUB002070">Rebaudioside E</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002070</td><td>2095</td><td>966.430788514</td><td>C<sub>44</sub>H<sub>70</sub>O<sub>23</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(-)-Rebaudioside E</td><td class="structure"><img data-src="/structures/PHUB002070/image.svg" src="" /></td><td>RLLCWNUIHGPAJY-SUSMWBCFSA-N</td><td>63279-14-1</td><td>(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (1R,5R,9S,13S)-13-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate</td><td>967.021</td><td>1.29e+01 g/l</td><td>-1.43</td><td>-1.87</td><td>InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(30(55)26(51)20(14-47)62-38)64-36-32(57)28(53)24(49)18(12-45)60-36)23(43)6-10-44(17,16-43)67-39-35(31(56)27(52)21(15-48)63-39)65-37-33(58)29(54)25(50)19(13-46)61-37/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22?,23?,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1</td><td>C[C@@]12CCC[C@](C)(C1CC[C@@]13CC(=C)[C@@](C1)(CCC23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.648674931615439</td><td>11.841370168477598</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002070">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2096"><td></td><td><a href="/entries/PHUB002071">Rebaudioside F</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002071</td><td>2096</td><td>936.42022383</td><td>C<sub>43</sub>H<sub>68</sub>O<sub>22</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002071/image.svg" src="" /></td><td>HYLAUKAHEAUVFE-RDHUZAIOSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,5R,9S,13S)-13-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate</td><td>936.995</td><td>1.20e+01 g/l</td><td>-1.44</td><td>-1.89</td><td>InChI=1S/C43H68O22/c1-17-11-42-9-5-22-40(2,7-4-8-41(22,3)39(57)64-37-32(56)29(53)26(50)20(13-45)60-37)23(42)6-10-43(17,16-42)65-38-34(63-35-30(54)24(48)18(47)15-58-35)33(27(51)21(14-46)61-38)62-36-31(55)28(52)25(49)19(12-44)59-36/h18-38,44-56H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22?,23?,24+,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,37+,38+,40-,41-,42-,43+/m1/s1</td><td>C[C@@]12CCC[C@](C)(C1CC[C@@]13CC(=C)[C@@](C1)(CCC23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.648397751535034</td><td>11.751420903491688</td><td><a href="/food_sources/379">Stevia (Stevia rebaudiana)</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002071">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2099"><td></td><td><a href="/entries/PHUB002074">Akhdardiol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002074</td><td>2099</td><td>306.255880335</td><td>C<sub>20</sub>H<sub>34</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002074/image.svg" src="" /></td><td>RIQATFSOVFFVRX-LPLOCXIKSA-N</td><td></td><td>(1S,4aS,7S,8aR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-tetradecahydrophenanthren-8a-ol</td><td>306.49</td><td>1.46e-03 g/l</td><td>3.75</td><td>-5.32</td><td>InChI=1S/C20H34O2/c1-5-17(2)11-7-16-19(4)10-6-9-18(3,14-21)15(19)8-12-20(16,22)13-17/h5,15-16,21-22H,1,6-14H2,2-4H3/t15?,16?,17-,18+,19-,20+/m0/s1</td><td>C[C@@]1(CCC2[C@@]3(C)CCC[C@](C)(CO)C3CC[C@@]2(O)C1)C=C</td><td>0.07163757172309948</td><td>18.592349172626022</td><td><a href="/food_sources/45">Common oregano</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002074">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2100"><td></td><td><a href="/entries/PHUB002075">Akhdarenol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002075</td><td>2100</td><td>288.24531565</td><td>C<sub>20</sub>H<sub>32</sub>O</td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Pimara-7,15-dien-18-ol</td><td class="structure"><img data-src="/structures/PHUB002075/image.svg" src="" /></td><td>DUEINKIQNGZKPL-GNWGEKMJSA-N</td><td></td><td>[(1S,4aR,7S)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-yl]methanol</td><td>288.475</td><td>7.13e-04 g/l</td><td>5.14</td><td>-5.61</td><td>InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16?,17?,18-,19+,20+/m0/s1</td><td>C[C@@]1(CCC2C(C1)=CCC1[C@@](C)(CO)CCC[C@]21C)C=C</td><td>-1.2013795592574859</td><td>18.652081483179046</td><td><a href="/food_sources/45">Common oregano</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002075">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2101"><td></td><td><a href="/entries/PHUB002076">Akhdartriol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002076</td><td>2101</td><td>322.250794955</td><td>C<sub>20</sub>H<sub>34</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Pimar-15-ene-8,11,18-triol</td><td class="structure"><img data-src="/structures/PHUB002076/image.svg" src="" /></td><td>XZOKOJUOYUVAJC-BZCCYEEASA-N</td><td></td><td>(2S,4R,4bS,8S,10aR)-2-ethenyl-8-(hydroxymethyl)-2,4b,8-trimethyl-tetradecahydrophenanthrene-4,10a-diol</td><td>322.489</td><td>9.05e-02 g/l</td><td>2.54</td><td>-3.55</td><td>InChI=1S/C20H34O3/c1-5-17(2)11-14(22)16-19(4)9-6-8-18(3,13-21)15(19)7-10-20(16,23)12-17/h5,14-16,21-23H,1,6-13H2,2-4H3/t14-,15?,16?,17+,18-,19+,20-/m1/s1</td><td>C[C@@]1(C[C@@H](O)C2[C@@]3(C)CCC[C@](C)(CO)C3CC[C@@]2(O)C1)C=C</td><td>-1.227506665539833</td><td>14.277162692769446</td><td><a href="/food_sources/45">Common oregano</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002076">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2102"><td></td><td><a href="/entries/PHUB002077">Amyrin-(beta)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002077</td><td>2102</td><td>426.38616623</td><td>C<sub>30</sub>H<sub>50</sub>O</td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3β)-olean-12-en-3-ol; 3β-hydroxyolean-12-ene; amyrin; beta-Amyrenol; beta-Amyrin</td><td class="structure"><img data-src="/structures/PHUB002077/image.svg" src="" /></td><td>JFSHUTJDVKUMTJ-QHPUVITPSA-N</td><td>559-70-6</td><td>(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol</td><td>426.729</td><td>7.15e-05 g/l</td><td>7.53</td><td>-6.78</td><td>InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1</td><td>[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C</td><td>-0.8351218782716128</td><td>19.489433291560097</td><td><a href="/food_sources/45">Common oregano</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002077">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2111"><td></td><td><a href="/entries/PHUB002086">Thymoquinone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002086</td><td>2111</td><td>164.083729626</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>2</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-3,6-diene-2,5-dione</td><td class="structure"><img data-src="/structures/PHUB002086/image.svg" src="" /></td><td>KEQHJBNSCLWCAE-UHFFFAOYSA-N</td><td>490-91-5</td><td></td><td>164.204</td><td></td><td></td><td></td><td>InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3</td><td>CC(C)C1=CC(=O)C(C)=CC1=O</td><td></td><td></td><td><a href="/food_sources/387">Black cumin</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002086">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2113"><td></td><td><a href="/entries/PHUB002088">Menaquinone-7</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002088</td><td>2113</td><td>648.490631301</td><td>C<sub>46</sub>H<sub>64</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Miscellaneous terpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Vitamin K2</td><td class="structure"><img data-src="/structures/PHUB002088/image.svg" src="" /></td><td>RAKQPZMEYJZGPI-UHFFFAOYSA-N</td><td>2124-57-4</td><td>2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl)-3-methyl-1,4-dihydronaphthalene-1,4-dione</td><td>649.016</td><td>2.29e-04 g/l</td><td>9.58</td><td>-6.45</td><td>InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3</td><td>CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O</td><td>-7.224343414413889</td><td></td><td><a href="/food_sources/202">Common buckwheat</a> / <a href="/food_sources/245">Natto</a> / <a href="/food_sources/388">Sauerkraut</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002088">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2115"><td></td><td><a href="/entries/PHUB002090">2-methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002090</td><td>2115</td><td>298.12050906</td><td>C<sub>18</sub>H<sub>18</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002090/image.svg" src="" /></td><td>BCNIZSHMXASUGF-UHFFFAOYSA-N</td><td>34185-71-2</td><td></td><td>298.338</td><td></td><td></td><td></td><td>InChI=1S/C18H18O4/c1-11(8-10-16(19)20)7-9-13-12(2)17(21)14-5-3-4-6-15(14)18(13)22/h3-7H,8-10H2,1-2H3,(H,19,20)</td><td>CC(CCC(O)=O)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB001911">Phylloquinone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002090">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2116"><td></td><td><a href="/entries/PHUB002091">2-methyl-3-(3'-3'-carboxymethylpropyl)-1,4-naphthoquinone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002091</td><td>2116</td><td>272.104858995</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002091/image.svg" src="" /></td><td>ALLYVKRLOHDVKI-UHFFFAOYSA-N</td><td></td><td>2-methyl-4-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)butanoic acid</td><td>272.3</td><td>6.76e-02 g/l</td><td>2.38</td><td>-3.61</td><td>InChI=1S/C16H16O4/c1-9(16(19)20)7-8-11-10(2)14(17)12-5-3-4-6-13(12)15(11)18/h3-6,9H,7-8H2,1-2H3,(H,19,20)</td><td>CC(CCC1=C(C)C(=O)C2=C(C=CC=C2)C1=O)C(O)=O</td><td>-7.215270896918987</td><td>3.9053555081283307</td><td></td><td><a href="/entries/PHUB001911">Phylloquinone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002091">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2117"><td></td><td><a href="/entries/PHUB002092">Steviol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002092</td><td>2117</td><td>494.251582804</td><td>C<sub>26</sub>H<sub>38</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Diterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002092/image.svg" src="" /></td><td>UWKMRMSZJBDGGY-BWTHVTCGSA-N</td><td></td><td>3,4,5-trihydroxy-6-[(4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carbonyloxy]oxane-2-carboxylic acid</td><td>494.581</td><td>5.75e-01 g/l</td><td>1.35</td><td>-2.93</td><td>InChI=1S/C26H38O9/c1-13-11-25-9-5-14-23(2,15(25)6-10-26(13,33)12-25)7-4-8-24(14,3)22(32)35-21-18(29)16(27)17(28)19(34-21)20(30)31/h14-19,21,27-29,33H,1,4-12H2,2-3H3,(H,30,31)/t14-,15-,16?,17?,18?,19?,21?,23+,24+,25?,26-/m0/s1</td><td>C[C@@]12CCC[C@](C)([C@H]1CCC13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-0.9239247176092089</td><td>3.3583730279871107</td><td></td><td><a href="/entries/PHUB002045">Stevioside</a> / <a href="/entries/PHUB002066">Rebaudioside A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002092">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2118"><td></td><td><a href="/entries/PHUB002093">3 β-monoglucuronyl-18-β-glycyrrhetinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002093</td><td>2118</td><td>646.371697939</td><td>C<sub>36</sub>H<sub>54</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-MGA; 3beta-D-(monoglucuronyl)-18beta-glycyrrhetinic acid; glycyrrhetic acid 3-O-beta-D-monoglucuronide; glycyrrhetic acid-3-O-glucuronide; glycyrrhetyl 3-monoglucuronide</td><td class="structure"><img data-src="/structures/PHUB002093/image.svg" src="" /></td><td>HLDYLAJAWSKPFZ-UHFFFAOYSA-N</td><td>34096-83-8</td><td>6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>646.818</td><td>1.06e-02 g/l</td><td>3.97</td><td>-4.78</td><td>InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)</td><td>CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.686499495698764</td><td>3.5367642642030934</td><td></td><td><a href="/entries/PHUB000171">Glycyrrhizin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002093">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2119"><td></td><td><a href="/entries/PHUB002094">Ginsenoside C</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002094</td><td>2119</td><td>622.444468956</td><td>C<sub>36</sub>H<sub>62</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Compound K; Ginsenoside K; IH901</td><td class="structure"><img data-src="/structures/PHUB002094/image.svg" src="" /></td><td>FVIZARNDLVOMSU-IRFFNABBSA-N</td><td>39262-14-1</td><td>(2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>622.884</td><td>1.49e-02 g/l</td><td>3.73</td><td>-4.62</td><td>InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1</td><td>[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@]([H])(O)C[C@]1([H])[C@@]3(C)CC[C@]([H])(O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC=C(C)C)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-0.8348778947848967</td><td>12.209293436965016</td><td></td><td><a href="/entries/PHUB002097">Ginsenoside Rb2</a> / <a href="/entries/PHUB002585">Ginsenosides</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002094">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2120"><td></td><td><a href="/entries/PHUB002095">Ginsenoside Rd</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002095</td><td>2120</td><td>946.5501158</td><td>C<sub>48</sub>H<sub>82</sub>O<sub>18</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(20S)-ginsenoside Rd; Gypenoside VIII</td><td class="structure"><img data-src="/structures/PHUB002095/image.svg" src="" /></td><td>RLDVZILFNVRJTL-IWFVLDDISA-N</td><td>52705-93-8</td><td>(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>947.166</td><td>3.90e-01 g/l</td><td>0.73</td><td>-3.39</td><td>InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1</td><td>[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.648377595753652</td><td>11.847210111164959</td><td></td><td><a href="/entries/PHUB002097">Ginsenoside Rb2</a> / <a href="/entries/PHUB002098">Ginsenoside Rc</a> / <a href="/entries/PHUB002585">Ginsenosides</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002095">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2121"><td></td><td><a href="/entries/PHUB002096">Ginsenoside F2</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002096</td><td>2121</td><td>784.497292378</td><td>C<sub>42</sub>H<sub>72</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(20S)-ginsenoside F2</td><td class="structure"><img data-src="/structures/PHUB002096/image.svg" src="" /></td><td>SWIROVJVGRGSPO-JBVRGBGGSA-N</td><td>62025-49-4</td><td>(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>785.025</td><td>8.82e-02 g/l</td><td>2.24</td><td>-3.95</td><td>InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1</td><td>[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</td><td>-2.9810835440417778</td><td>11.909325785602055</td><td></td><td><a href="/entries/PHUB002097">Ginsenoside Rb2</a> / <a href="/entries/PHUB002585">Ginsenosides</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002096">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2122"><td></td><td><a href="/entries/PHUB002097">Ginsenoside Rb2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002097</td><td>2122</td><td>1078.592374538</td><td>C<sub>53</sub>H<sub>90</sub>O<sub>22</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(20S)-ginsenoside Rb2</td><td class="structure"><img data-src="/structures/PHUB002097/image.svg" src="" /></td><td>NODILNFGTFIURN-GZPRDHCNSA-N</td><td>11021-13-9</td><td>(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>1079.281</td><td>7.84e-01 g/l</td><td>-0.02</td><td>-3.14</td><td>InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1</td><td>[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.648674371948831</td><td>11.752724815252483</td><td><a href="/food_sources/74">Ginseng</a></td><td><a href="/entries/PHUB002095">Ginsenoside Rd</a> / <a href="/entries/PHUB002096">Ginsenoside F2</a> / <a href="/entries/PHUB002094">Ginsenoside C</a> / <a href="/entries/PHUB002101">Protopanaxadiol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002097">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2123"><td></td><td><a href="/entries/PHUB002098">Ginsenoside Rc</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002098</td><td>2123</td><td>1078.592374538</td><td>C<sub>53</sub>H<sub>90</sub>O<sub>22</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Panaxoside RC</td><td class="structure"><img data-src="/structures/PHUB002098/image.svg" src="" /></td><td>JDCPEKQWFDWQLI-LUQKBWBOSA-N</td><td>11021-14-0</td><td>(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-(2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methylhept-5-en-2-yl)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>1079.281</td><td>7.80e-01 g/l</td><td>-0.17</td><td>-3.14</td><td>InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,50-,51+,52+,53-/m0/s1</td><td>[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.648674371948831</td><td>11.751525969235242</td><td><a href="/food_sources/74">Ginseng</a></td><td><a href="/entries/PHUB002095">Ginsenoside Rd</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002098">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2124"><td></td><td><a href="/entries/PHUB002099">Ginsenoside Rb1</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002099</td><td>2124</td><td>1108.602939222</td><td>C<sub>54</sub>H<sub>92</sub>O<sub>23</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002099/image.svg" src="" /></td><td>GZYPWOGIYAIIPV-JBDTYSNRSA-N</td><td></td><td>(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>1109.307</td><td>1.07e+00 g/l</td><td>-0.24</td><td>-3.02</td><td>InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1</td><td>[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O</td><td>-3.648674371948831</td><td>11.751605954439547</td><td><a href="/food_sources/74">Ginseng</a></td><td><a href="/entries/PHUB002100">Ginsenoside Rg3</a> / <a href="/entries/PHUB002102">Ginsenoside Rh2</a> / <a href="/entries/PHUB002101">Protopanaxadiol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002099">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2125"><td></td><td><a href="/entries/PHUB002100">Ginsenoside Rg3</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002100</td><td>2125</td><td>784.497292378</td><td>C<sub>42</sub>H<sub>72</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(20S)-ginsenoside Rg3; (20S)-propanaxadiol; 20S-propanaxadiol; ginsenoside Rg3</td><td class="structure"><img data-src="/structures/PHUB002100/image.svg" src="" /></td><td>RWXIFXNRCLMQCD-JBVRGBGGSA-N</td><td>14197-60-5</td><td>(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>785.025</td><td>9.90e-02 g/l</td><td>2.27</td><td>-3.90</td><td>InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1</td><td>[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@](C)(O)CCC=C(C)C</td><td>-2.9011008357131507</td><td>12.088937100618224</td><td></td><td><a href="/entries/PHUB002099">Ginsenoside Rb1</a> / <a href="/entries/PHUB002585">Ginsenosides</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002100">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2126"><td></td><td><a href="/entries/PHUB002101">Protopanaxadiol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002101</td><td>2126</td><td>460.391645534</td><td>C<sub>30</sub>H<sub>52</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td>Saponins (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002101/image.svg" src="" /></td><td>PYXFVCFISTUSOO-BKYULYPYSA-N</td><td></td><td>(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol</td><td>460.743</td><td>3.49e-03 g/l</td><td>5.36</td><td>-5.12</td><td>InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30?/m0/s1</td><td>[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(O)CCC=C(C)C</td><td>-0.835121836431343</td><td>14.53039578199013</td><td><a href="/food_sources/74">Ginseng</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002101">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2127"><td></td><td><a href="/entries/PHUB002102">Ginsenoside Rh2</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002102</td><td>2127</td><td>622.444468956</td><td>C<sub>36</sub>H<sub>62</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(20S)-ginsenoside Rh2</td><td class="structure"><img data-src="/structures/PHUB002102/image.svg" src="" /></td><td>CKUVNOCSBYYHIS-IRFFNABBSA-N</td><td>78214-33-2</td><td>(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>622.884</td><td>1.22e-02 g/l</td><td>3.77</td><td>-4.71</td><td>InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1</td><td>[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(O)CCC=C(C)C</td><td>-2.8388984516715547</td><td>12.208474411414986</td><td></td><td><a href="/entries/PHUB002099">Ginsenoside Rb1</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002102">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2128"><td></td><td><a href="/entries/PHUB002103">11β,13-dihydrolactucin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002103</td><td>2128</td><td>278.11542368</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>5</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>11,13-dihydrolactucin</td><td class="structure"><img data-src="/structures/PHUB002103/image.svg" src="" /></td><td>ZHZZKRDEPZMPLJ-WLVQVHLUSA-N</td><td></td><td>(3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione</td><td>278.304</td><td>3.89e+00 g/l</td><td>-0.19</td><td>-1.86</td><td>InChI=1S/C15H18O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,7,9,12-14,16-17H,3,5H2,1-2H3/t7-,9-,12+,13-,14-/m0/s1</td><td>[H][C@]12OC(=O)[C@@H](C)[C@]1([H])[C@@H](O)CC(C)=C1C(=O)C=C(CO)[C@]21[H]</td><td>-2.7605588236894016</td><td>14.547117109329545</td><td><a href="/food_sources/34">Chicory</a></td><td><a href="/entries/PHUB002281">Dihydrolactucin-sulfate</a> / <a href="/entries/PHUB002103">11β,13-dihydrolactucin</a> / <a href="/entries/PHUB002415">Hexahydrolactucin glucuronide</a> / <a href="/entries/PHUB002416">Hexahydrolactucin</a> / <a href="/entries/PHUB002417">Hexahydrolactucin sulfate</a> / <a href="/entries/PHUB002418">Tetrahydrolactucin-glucuronide</a> / <a href="/entries/PHUB002419">Tetrahydrolactucin sulfate</a> / <a href="/entries/PHUB002420">Tetrahydrolactucin</a> / <a href="/entries/PHUB002282">Dihydrolactucin-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002103">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2165"><td></td><td><a href="/entries/PHUB002107">1,3-dimethyluric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,3-dimethyluricacid</td><td>PHUB002107</td><td>2165</td><td>196.059640134</td><td>C<sub>7</sub>H<sub>8</sub>N<sub>4</sub>O<sub>3</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>Oxytheophylline</td><td class="structure"><img data-src="/structures/PHUB002107/image.svg" src="" /></td><td>OTSBKHHWSQYEHK-UHFFFAOYSA-N</td><td>944-73-0</td><td>1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione</td><td>196.166</td><td>8.69e+00 g/l</td><td>-0.74</td><td>-1.35</td><td>InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)</td><td>CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O</td><td>-5.922888493165294</td><td>7.742717171687908</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB000791">Theophylline</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002107">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2167"><td></td><td><a href="/entries/PHUB002109">Naringenin-4´,7-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002109</td><td>2167</td><td>624.132649442</td><td>C<sub>27</sub>H<sub>28</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002109/image.svg" src="" /></td><td>CZHIYNFDJFACBG-CPSCBBHWSA-N</td><td></td><td></td><td>624.504</td><td></td><td></td><td></td><td>InChI=1S/C27H28O16/c28-11-5-10(40-27-21(35)17(31)20(34)24(43-27)26(38)39)6-14-15(11)12(29)7-13(41-14)8-1-3-9(4-2-8)22-18(32)16(30)19(33)23(42-22)25(36)37/h1-6,13,16-24,27-28,30-35H,7H2,(H,36,37)(H,38,39)/t13-,16?,17?,18?,19?,20?,21?,22?,23?,24?,27?/m0/s1</td><td>OC1C(O)C(OC2=CC=C(C=C2)[C@@H]2CC(=O)C3=C(O2)C=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C3O)OC(C1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002109">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2168"><td></td><td><a href="/entries/PHUB002110">Naringenin-5,7-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002110</td><td>2168</td><td>624.132649442</td><td>C<sub>27</sub>H<sub>28</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002110/image.svg" src="" /></td><td>DIYPMOKNXMETOU-VAHUSHOJSA-N</td><td></td><td>6-{[(2S)-7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>624.504</td><td>4.74e+00 g/l</td><td>-0.03</td><td>-2.12</td><td>InChI=1S/C27H28O17/c28-9-3-1-8(2-4-9)12-7-11(29)15-13(41-12)5-10(40-26-20(34)16(30)18(32)22(43-26)24(36)37)6-14(15)42-27-21(35)17(31)19(33)23(44-27)25(38)39/h1-6,12,16-23,26-28,30-35H,7H2,(H,36,37)(H,38,39)/t12-,16?,17?,18?,19?,20?,21?,22?,23?,26?,27?/m0/s1</td><td>OC1C(O)C(OC2=CC3=C(C(=O)C[C@H](O3)C3=CC=C(O)C=C3)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C2)OC(C1O)C(O)=O</td><td>-3.7319986544082746</td><td>2.3905960139208093</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002110">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2169"><td></td><td><a href="/entries/PHUB002111">Naringenin-4',5-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002111</td><td>2169</td><td>608.137734822</td><td>C<sub>27</sub>H<sub>28</sub>O<sub>16</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002111/image.svg" src="" /></td><td>ORKRYRQSJHKQJM-QDKVKDNSSA-N</td><td></td><td>6-{4-[(2S)-5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>608.505</td><td>1.86e+00 g/l</td><td>-0.08</td><td>-2.52</td><td>InChI=1S/C27H28O16/c28-11-8-14(9-4-6-10(7-5-9)39-26-20(33)16(29)18(31)22(42-26)24(35)36)40-12-2-1-3-13(15(11)12)41-27-21(34)17(30)19(32)23(43-27)25(37)38/h1-7,14,16-23,26-27,29-34H,8H2,(H,35,36)(H,37,38)/t14-,16?,17?,18?,19?,20?,21?,22?,23?,26?,27?/m0/s1</td><td>OC1C(O)C(OC2=CC=C(C=C2)[C@@H]2CC(=O)C3=C(O2)C=CC=C3OC2OC(C(O)C(O)C2O)C(O)=O)OC(C1O)C(O)=O</td><td>-3.7319986496737187</td><td>2.738901456360863</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002111">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2171"><td></td><td><a href="/entries/PHUB002113">Hesperetin-5-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002113</td><td>2171</td><td>478.111126148</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002113/image.svg" src="" /></td><td>CBVJYALZVWCCEC-HXGZNJKZSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[(2S)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid</td><td>478.406</td><td>1.99e+00 g/l</td><td>0.74</td><td>-2.38</td><td>
8InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)24)13-7-11(25)16-14(32-13)5-9(23)6-15(16)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13-,17?,18?,19?,20?,22?/m0/s1</td><td>COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.686827060576842</td><td>2.7692601776497052</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002113">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2172"><td></td><td><a href="/entries/PHUB002114">Hesperetin-glucuronyl-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002114</td><td>2172</td><td>557.0595</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>15</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002114/image.svg" src="" /></td><td></td><td></td><td></td><td>557.0595</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002114">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2173"><td></td><td><a href="/entries/PHUB002115">Eriodictyol-glucuronyl-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002115</td><td>2173</td><td>543.0439</td><td>C<sub>21</sub>H<sub>19</sub>O<sub>15</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002115/image.svg" src="" /></td><td></td><td></td><td></td><td>543.0439</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002115">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2174"><td></td><td><a href="/entries/PHUB002116">Methoxyphenylacetic acid-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002116</td><td>2174</td><td>357.0816</td><td>C<sub>15</sub>H<sub>17</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002116/image.svg" src="" /></td><td></td><td></td><td></td><td>356.0816</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002116">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2175"><td></td><td><a href="/entries/PHUB002117">Hesperetin-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hesperetin-diglucuronide</td><td>PHUB002117</td><td>2175</td><td>654.143214126</td><td>C<sub>28</sub>H<sub>30</sub>O<sub>18</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002117/image.svg" src="" /></td><td></td><td></td><td></td><td>-1.0</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002117">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2176"><td></td><td><a href="/entries/PHUB002118">Naringenin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Naringenin-glucuronide</td><td>PHUB002118</td><td>2176</td><td>448.100561482</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002118/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000387">Naringenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002118">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2177"><td></td><td><a href="/entries/PHUB002119">Hesperetin-3´,5-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002119</td><td>2177</td><td>638.148299506</td><td>C<sub>28</sub>H<sub>30</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002119/image.svg" src="" /></td><td>YYGJMAZBWYEMIC-IKBMIOPTSA-N</td><td></td><td></td><td>638.531</td><td>2.71e+00 g/l</td><td>-0.01</td><td>-2.37</td><td>InChI=1S/C28H30O17/c1-8-2-3-9(4-12(8)42-27-21(35)17(31)19(33)23(44-27)25(37)38)13-7-11(30)16-14(41-13)5-10(29)6-15(16)43-28-22(36)18(32)20(34)24(45-28)26(39)40/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40)/t13?,17-,18-,19-,20-,21+,22+,23-,24-,27?,28?/m0/s1</td><td>CC1=CC=C(C=C1OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1CC(=O)C2=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(O)C=C2O1</td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002119">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2178"><td></td><td><a href="/entries/PHUB002120">6-Hydroxydaidzein</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one</td><td>PHUB002120</td><td>2178</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002120/image.svg" src="" /></td><td>GYLUFQJZYAJQDI-UHFFFAOYSA-N</td><td>17817-31-1</td><td>6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>270.24</td><td>1.14e-01 g/l</td><td>3.08</td><td>-3.37</td><td>InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H</td><td>OC1=CC=C(C=C1)C1=COC2=C(C=C(O)C(O)=C2)C1=O</td><td>-5.322125573061659</td><td>6.582051557346977</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a> / <a href="/entries/PHUB000223">Daidzin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002120">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2179"><td></td><td><a href="/entries/PHUB002121">8-Hydroxydaidzein</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>7,8-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one</td><td>PHUB002121</td><td>2179</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002121/image.svg" src="" /></td><td>BMZFZTMWBCFKSS-UHFFFAOYSA-N</td><td>75187-63-2</td><td>7,8-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>270.24</td><td>1.29e-01 g/l</td><td>3.09</td><td>-3.32</td><td>InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H</td><td>OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2O)C1=O</td><td>-5.390418760554791</td><td>6.7007541937492885</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a> / <a href="/entries/PHUB000223">Daidzin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002121">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2180"><td></td><td><a href="/entries/PHUB002122">3'-Hydroxydaidzein</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one</td><td>PHUB002122</td><td>2180</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002122/image.svg" src="" /></td><td>DDKGKOOLFLYZDL-UHFFFAOYSA-N</td><td></td><td>3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one</td><td>270.24</td><td>1.06e-01 g/l</td><td>3.05</td><td>-3.41</td><td>InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H</td><td>OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC(O)=C(O)C=C1</td><td>-5.33620244110205</td><td>6.4751111499991385</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a> / <a href="/entries/PHUB000223">Daidzin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002122">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2183"><td></td><td><a href="/entries/PHUB002125">Genistein 4',7-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>PHUB002125</td><td>2183</td><td>622.116999377</td><td>C<sub>27</sub>H<sub>26</sub>O<sub>17</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002125/image.svg" src="" /></td><td>DFJSPRNCKDBZIJ-MWBUVXCNSA-N</td><td></td><td></td><td>622.488</td><td>1.83e+00 g/l</td><td>0.20</td><td>-2.53</td><td>InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000226">Genistin</a> / <a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002125">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2184"><td></td><td><a href="/entries/PHUB002126">Genistein-7-O-glucuronide-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-3-(4-sulfooxyphenyl)chromen-7-yl]oxyoxane-2-carboxylic acid</td><td>PHUB002126</td><td>2184</td><td>526.041726434</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>14</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002126/image.svg" src="" /></td><td>KYWPDPYIBFQJOX-ZFORQUDYSA-N</td><td></td><td></td><td>526.42</td><td></td><td></td><td></td><td>InChI=1S/C21H18O14S/c22-12-5-10(33-21-18(26)16(24)17(25)19(34-21)20(27)28)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)35-36(29,30)31/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31)/t16-,17-,18+,19-,21+/m0/s1</td><td>[H][C@@]1(OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=C(OS(O)(=O)=O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000226">Genistin</a> / <a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002126">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2185"><td></td><td><a href="/entries/PHUB002127">Genistein 4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>PHUB002127</td><td>2185</td><td>446.0849114</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002127/image.svg" src="" /></td><td>NHEBJNCJBWUPCK-ZFORQUDYSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>446.364</td><td>1.05e+00 g/l</td><td>0.99</td><td>-2.63</td><td>InChI=1S/C21H18O11/c22-9-5-12(23)14-13(6-9)30-7-11(15(14)24)8-1-3-10(4-2-8)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2=COC3=C(C(O)=CC(O)=C3)C2=O)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.686826761383337</td><td>3.1858610011957627</td><td></td><td><a href="/entries/PHUB000226">Genistin</a> / <a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002127">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2186"><td></td><td><a href="/entries/PHUB002128">Genistein 7-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate</td><td>PHUB002128</td><td>2186</td><td>350.009638456</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002128/image.svg" src="" /></td><td>DKEIWIJUHWVGRC-UHFFFAOYSA-N</td><td></td><td>[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxidanesulfonic acid</td><td>350.3</td><td>2.35e-01 g/l</td><td>0.86</td><td>-3.17</td><td>InChI=1S/C15H10O8S/c16-9-3-1-8(2-4-9)11-7-22-13-6-10(23-24(19,20)21)5-12(17)14(13)15(11)18/h1-7,16-17H,(H,19,20,21)</td><td>OC1=CC=C(C=C1)C1=COC2=CC(OS(O)(=O)=O)=CC(O)=C2C1=O</td><td>-5.3496237239795175</td><td>-2.6099024743448487</td><td></td><td><a href="/entries/PHUB000226">Genistin</a> / <a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002128">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2187"><td></td><td><a href="/entries/PHUB002129">Genistein 4'-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenyl] hydrogen sulfate</td><td>PHUB002129</td><td>2187</td><td>350.009638456</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>8</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002129/image.svg" src="" /></td><td>KIWWRRLFZKBEAL-UHFFFAOYSA-N</td><td></td><td>[4-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenyl]oxidanesulfonic acid</td><td>350.3</td><td>2.37e-01 g/l</td><td>0.79</td><td>-3.17</td><td>InChI=1S/C15H10O8S/c16-9-5-12(17)14-13(6-9)22-7-11(15(14)18)8-1-3-10(4-2-8)23-24(19,20)21/h1-7,16-17H,(H,19,20,21)</td><td>OC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC=C(OS(O)(=O)=O)C=C1</td><td>-5.346569681969931</td><td>-2.495074982679752</td><td></td><td><a href="/entries/PHUB000226">Genistin</a> / <a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002129">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2188"><td></td><td><a href="/entries/PHUB002130">Daidzein-4',7-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-oxochromen-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>PHUB002130</td><td>2188</td><td>606.122084757</td><td>C<sub>27</sub>H<sub>26</sub>O<sub>16</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002130/image.svg" src="" /></td><td>NSJKNMPSMHSBQD-MWBUVXCNSA-N</td><td></td><td></td><td>606.489</td><td>1.07e+00 g/l</td><td>0.21</td><td>-2.75</td><td>InChI=1S/C27H26O16/c28-15-12-6-5-11(41-27-21(34)17(30)19(32)23(43-27)25(37)38)7-14(12)39-8-13(15)9-1-3-10(4-2-9)40-26-20(33)16(29)18(31)22(42-26)24(35)36/h1-8,16-23,26-27,29-34H,(H,35,36)(H,37,38)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1</td><td>[H][C@@]1(OC2=CC=C(C=C2)C2=COC3=C(C=CC(O[C@]4([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)=C3)C2=O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002130">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2189"><td></td><td><a href="/entries/PHUB002131">Daidzein-7-glucuronide-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-oxo-3-(4-sulfooxyphenyl)chromen-7-yl]oxyoxane-2-carboxylic acid</td><td>PHUB002131</td><td>2189</td><td>510.046811814</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002131/image.svg" src="" /></td><td>GFHHFNZYJNKWPT-ZFORQUDYSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({4-oxo-3-[4-(sulfooxy)phenyl]-4H-chromen-7-yl}oxy)oxane-2-carboxylic acid</td><td>510.42</td><td>2.65e+00 g/l</td><td>0.63</td><td>-2.29</td><td>InChI=1S/C21H18O13S/c22-15-12-6-5-11(32-21-18(25)16(23)17(24)19(33-21)20(26)27)7-14(12)31-8-13(15)9-1-3-10(4-2-9)34-35(28,29)30/h1-8,16-19,21,23-25H,(H,26,27)(H,28,29,30)/t16-,17-,18+,19-,21+/m0/s1</td><td>[H][C@@]1(OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(OS(O)(=O)=O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.686826769727992</td><td>-2.424108729952533</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002131">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2190"><td></td><td><a href="/entries/PHUB002132">Daidzein 4'-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>[4-(7-hydroxy-4-oxochromen-3-yl)phenyl] hydrogen sulfate</td><td>PHUB002132</td><td>2190</td><td>334.014723836</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002132/image.svg" src="" /></td><td>CQRHJEVIKOKQMO-UHFFFAOYSA-N</td><td></td><td>[4-(7-hydroxy-4-oxo-4H-chromen-3-yl)phenyl]oxidanesulfonic acid</td><td>334.3</td><td>1.87e-01 g/l</td><td>0.63</td><td>-3.25</td><td>InChI=1S/C15H10O7S/c16-10-3-6-12-14(7-10)21-8-13(15(12)17)9-1-4-11(5-2-9)22-23(18,19)20/h1-8,16H,(H,18,19,20)</td><td>OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=C(OS(O)(=O)=O)C=C1</td><td>-5.336944574786274</td><td>-2.4228834960275414</td><td></td><td><a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002132">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2192"><td></td><td><a href="/entries/PHUB002134">5-nonadecylresorcinol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002134</td><td>2192</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002134/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000556">5-Nonadecylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002134">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2193"><td></td><td><a href="/entries/PHUB002135">5-Heneicosylresorcinol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002135</td><td>2193</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002135/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000552">5-Heneicosylresorcinol</a> / <a href="/entries/PHUB001688">5-Heneicosenylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002135">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2194"><td></td><td><a href="/entries/PHUB002136">5-n-(16-Heneicosenyl)-resorcinol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002136</td><td>2194</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-(16-Heneicosenyl)-1,3-benzenediol glucuronide; Alkenylresorcinol 21:1-Gln; Heneicosenyl-benzenediol glucuronide</td><td class="structure"><img data-src="/structures/PHUB002136/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001688">5-Heneicosenylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002136">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2195"><td></td><td><a href="/entries/PHUB002137">5-heneicosenylresorcinol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002137</td><td>2195</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002137/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001688">5-Heneicosenylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002137">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2196"><td></td><td><a href="/entries/PHUB002138">3'-Methoxyphenylacetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxyphenylacetic acid</td><td>PHUB002138</td><td>2196</td><td>166.062994182</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>3-methoxyphenylacetic acid; 3-methoxyphenylethanoic acid</td><td class="structure"><img data-src="/structures/PHUB002138/image.svg" src="" /></td><td>LEGPZHPSIPPYIO-UHFFFAOYSA-N</td><td>1798-09-0</td><td>2-(3-methoxyphenyl)acetic acid</td><td>166.176</td><td>1.67e+00 g/l</td><td>1.71</td><td>-2.00</td><td>InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)</td><td>COC1=CC=CC(CC(O)=O)=C1</td><td>-4.826163508284621</td><td>4.11643275400136</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002138">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2198"><td></td><td><a href="/entries/PHUB002140">3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002140</td><td>2198</td><td>196.073558866</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>3-(3 '-Hydroxy-4'-methoxyphenyl)propionic acid</td><td class="structure"><img data-src="/structures/PHUB002140/image.svg" src="" /></td><td>ZVIJTQFTLXXGJA-UHFFFAOYSA-N</td><td></td><td>3-(3-hydroxy-4-methoxyphenyl)propanoic acid</td><td>196.202</td><td>
81.33e+00 g/l</td><td>1.04</td><td>-2.17</td><td>InChI=1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)</td><td>COC1=C(O)C=C(CCC(O)=O)C=C1</td><td>-4.890869696049996</td><td>3.952397858159392</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002140">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2199"><td></td><td><a href="/entries/PHUB002141">Hesperetin-7-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002141</td><td>2199</td><td>382.035853205</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td>Hesperetin 7-O-sulfate; Hesperetin-7-O-sulfate</td><td class="structure"><img data-src="/structures/PHUB002141/image.svg" src="" /></td><td>SKHOIXCPISQFMS-UHFFFAOYSA-N</td><td></td><td></td><td>382.34</td><td></td><td></td><td></td><td>InChI=1S/C16H14O9S/c1-23-13-3-2-8(4-10(13)17)14-7-12(19)16-11(18)5-9(6-15(16)24-14)25-26(20,21)22/h2-6,14,17-18H,7H2,1H3,(H,20,21,22)</td><td>COC1=CC=C(C=C1O)C1CC(=O)C2=C(O1)C=C(OS(O)(=O)=O)C=C2O</td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002141">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2200"><td></td><td><a href="/entries/PHUB002142">Naringenin-5-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002142</td><td>2200</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td>Naringenin 5-O-glucuronide; Naringenin-5-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002142/image.svg" src="" /></td><td>ZTQGTBHHQGGBSV-UVEPFSSFSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[(2S)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid</td><td>448.38</td><td>2.00e+00 g/l</td><td>0.57</td><td>-2.35</td><td>InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)12-7-11(24)15-13(30-12)5-10(23)6-14(15)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,12,16-19,21-23,25-27H,7H2,(H,28,29)/t12-,16?,17?,18?,19?,21?/m0/s1</td><td>OC1C(O)C(OC2=CC(O)=CC3=C2C(=O)C[C@H](O3)C2=CC=C(O)C=C2)OC(C1O)C(O)=O</td><td>-3.686827060576842</td><td>2.769260548372785</td><td></td><td><a href="/entries/PHUB000389">Naringin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002142">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2201"><td></td><td><a href="/entries/PHUB002143">Naringenin-7- sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002143</td><td>2201</td><td>352.02528852</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td>Naringenin 7-O-sulfate; Naringenin-7-O-sulfate</td><td class="structure"><img data-src="/structures/PHUB002143/image.svg" src="" /></td><td>LCXKYLMSILXZFG-UHFFFAOYSA-N</td><td></td><td>[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxidanesulfonic acid</td><td>352.31</td><td>4.88e-01 g/l</td><td>0.42</td><td>-2.86</td><td>
8InChI=1S/C15H12O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-6,13,16-17H,7H2,(H,19,20,21)</td><td>OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1</td><td>-4.955325823130645</td><td>-2.4143523282251045</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000389">Naringin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002143">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2202"><td></td><td><a href="/entries/PHUB002144">Naringenin-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002144</td><td>2202</td><td>352.02528852</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td>Naringenin 4'-O-sulfate; Naringenin-4'-O-sulfate</td><td class="structure"><img data-src="/structures/PHUB002144/image.svg" src="" /></td><td>LQAWJBRSYCPTLK-UHFFFAOYSA-N</td><td></td><td>[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid</td><td>352.31</td><td>4.36e-01 g/l</td><td>0.39</td><td>-2.91</td><td>InChI=1S/C15H12O8S/c16-9-5-11(17)15-12(18)7-13(22-14(15)6-9)8-1-3-10(4-2-8)23-24(19,20)21/h1-6,13,16-17H,7H2,(H,19,20,21)</td><td>OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=C(OS(O)(=O)=O)C=C1</td><td>-4.951979767859974</td><td>-2.3493266753994395</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB000389">Naringin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002144">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2203"><td></td><td><a href="/entries/PHUB002145">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-methoxy</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-methoxy</td><td>PHUB002145</td><td>2203</td><td>222.089208931</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002145/image.svg" src="" /></td><td>GCIFEQYZDROELP-SECBINFHSA-N</td><td></td><td></td><td>222.24</td><td></td><td></td><td></td><td>InChI=1S/C12H14O4/c1-15-11-7-8(2-4-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3/t9-/m1/s1</td><td>COC1=CC(C[C@H]2CCC(=O)O2)=CC=C1O</td><td>-4.889146538856179</td><td>9.943931319237853</td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002145">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2204"><td></td><td><a href="/entries/PHUB002146">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</td><td>PHUB002146</td><td>2204</td><td>384.105646844</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002146/image.svg" src="" /></td><td>UVGDTVGPBRLMQY-ZGMZSDQWNA-N</td><td></td><td></td><td>384.337</td><td></td><td></td><td></td><td>
8InChI=1/C17H20O10/c18-9-3-1-7(5-8-2-4-11(19)25-8)6-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8-,12+,13+,14-,15+,17-/s2</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC=C2O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002658">Almond Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002146">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2205"><td></td><td><a href="/entries/PHUB002147">(â)-Epicatechin-7-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-7-sulfate</td><td>PHUB002147</td><td>2205</td><td>370.035853205</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002147/image.svg" src="" /></td><td>RTMISWLJQDWIPT-DDOUFSBJNA-N</td><td></td><td></td><td>370.33</td><td></td><td></td><td></td><td>InChI=1/C15H14O9S/c16-10-2-1-7(3-12(10)18)15-13(19)6-9-11(17)4-8(5-14(9)23-15)24-25(20,21)22/h1-5,13,15-19H,6H2,(H,20,21,22)/t13-,15-/s2</td><td>O[C@@H]1CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002147">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2207"><td></td><td><a href="/entries/PHUB002149">3-Methoxy-4,5-dihydroxybenzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002149</td><td>2207</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002149/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002149">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2208"><td></td><td><a href="/entries/PHUB002150">(â)-Epicatechin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epicatechin-sulfate</td><td>PHUB002150</td><td>2208</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002150/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002656">
8Cocoa Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002150">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2209"><td></td><td><a href="/entries/PHUB002151">(+)-Catechin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002151</td><td>2209</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002151/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002151">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2210"><td></td><td><a href="/entries/PHUB002152">(+)-Catechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002152</td><td>2210</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002152/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002152">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2211"><td></td><td><a href="/entries/PHUB002153">Methoxy-(â)-epicatechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(â)-epicatechin-glucuronide</td><td>PHUB002153</td><td>2211</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002153/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002153">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2212"><td></td><td><a href="/entries/PHUB002154">Methoxy-(+)-catechin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002154</td><td>2212</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002154/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002154">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2213"><td></td><td><a href="/entries/PHUB002155">Methoxy-(+)-catechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002155</td><td>2213</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002155/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002155">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2214"><td></td><td><a href="/entries/PHUB002156">5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</td><td>PHUB002156</td><td>2214</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002156/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002156">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2215"><td></td><td><a href="/entries/PHUB002157">Dihydroxyphenylacetic acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Dihydroxyphenylacetic acid-sulfate</td><td>PHUB002157</td><td>2215</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002157/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002157">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2216"><td></td><td><a href="/entries/PHUB002158">Methoxy-(epi)gallocatechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)gallocatechin-glucuronide</td><td>PHUB002158</td><td>2216</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002158/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">
8Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002158">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2217"><td></td><td><a href="/entries/PHUB002159">5-(Phenyl)-γ-valerolactone-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-glucuronide</td><td>PHUB002159</td><td>2217</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002159/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002159">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2218"><td></td><td><a href="/entries/PHUB002160">5-(Hydroxyphenyl)-γ-valerolactone-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Hydroxyphenyl)-γ-valerolactone-glucuronide</td><td>PHUB002160</td><td>2218</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002160/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002160">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2219"><td></td><td><a href="/entries/PHUB002161">5-(Phenyl)-γ-valerolactone-3â²,5â²-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-3â²,5â²-disulfate</td><td>PHUB002161</td><td>2219</td><td>367.987188934</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>10</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002161/image.svg" src="" /></td><td>XHSDDTKDIXAVKG-MRVPVSSYSA-N</td><td></td><td></td><td>368.33</td><td></td><td></td><td></td><td>InChI=1S/C11H12O10S2/c12-11-2-1-8(19-11)3-7-4-9(20-22(13,14)15)6-10(5-7)21-23(16,17)18/h4-6,8H,1-3H2,(H,13,14,15)(H,16,17,18)/t8-/m1/s1</td><td>OS(=O)(=O)OC1=CC(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1</td><td>-7.043298212418631</td><td>-2.7432541625911764</td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002161">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2220"><td></td><td><a href="/entries/PHUB002162">5-(Phenyl)-γ-valerolactone-4',5'-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-4',5'-disulfate</td><td>PHUB002162</td><td>2220</td><td>367.987188934</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>10</sub>S<sub>2</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002162/image.svg" src="" /></td><td>HVCPXZLINMFQBT-MRVPVSSYSA-N</td><td></td><td></td><td>368.33</td><td></td><td></td><td></td><td>InChI=1S/C11H12O10S2/c12-11-4-2-8(19-11)5-7-1-3-9(20-22(13,14)15)10(6-7)21-23(16,17)18/h1,3,6,8H,2,4-5H2,(H,13,14,15)(H,16,17,18)/t8-/m1/s1</td><td>OS(=O)(=O)OC1=C(OS(O)(=O)=O)C=C(C[C@H]2CCC(=O)O2)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002162">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2221"><td></td><td><a href="/entries/PHUB002163">5-(Phenyl)-γ-valerolactone-methoxy-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-methoxy-glucuronide</td><td>PHUB002163</td><td>2221</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002163/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002163">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2222"><td></td><td><a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)catechin-sulfate</td><td>PHUB002164</td><td>2222</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002164/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002658">Almond Flavan-3-ols</a> / <a href="/entries/PHUB002654">Red Wine Flavan-3-ols</a> / <a href="/entries/PHUB000261">(+)-Catechin</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002164">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2223"><td></td><td><a href="/entries/PHUB002165">(â)-Epigallocatechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epigallocatechin-glucuronide</td><td>PHUB002165</td><td>2223</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002165/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002165">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2224"><td></td><td><a href="/entries/PHUB002166">(â)-Epigallocatechin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Epigallocatechin-sulfate</td><td>PHUB002166</td><td>2224</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002166/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002166">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2225"><td></td><td><a href="/entries/PHUB002167">Methoxy-(â)-epigallocatechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(â)-epigallocatechin-glucuronide</td><td>PHUB002167</td><td>2225</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002167/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002167">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2226"><td></td><td><a href="/entries/PHUB002168">Methoxy-(â)-epigallocatechin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(â)-epigallocatechin-sulfate</td><td>PHUB002168</td><td>2226</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002168/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002168">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2227"><td></td><td><a href="/entries/PHUB002169">Dihydroxybenzoic acid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002169</td><td>2227</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002169/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002977">3,5-Dihydroxybenzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002169">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2228"><td></td><td><a href="/entries/PHUB002170">Methoxy-hydroxybenzoic acid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002170</td><td>2228</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002170/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002170">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2229"><td></td><td><a href="/entries/PHUB002171">Methoxy-hydroxybenzoic acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002171</td><td>2229</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002171/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002171">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2230"><td></td><td><a href="/entries/PHUB002172">3-Hydroxybenzoic acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002172</td><td>2230</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002172/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002172">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2231"><td></td><td><a href="/entries/PHUB002173">Benzoic acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Benzoic acid-sulfate</td><td>PHUB002173</td><td>2231</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002173/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002173">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2232"><td></td><td><a href="/entries/PHUB002174">3,5-Dimethoxy-hydroxybenzoic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,5-Dimethoxy-hydroxybenzoic acid-4-sulfate</td><td>PHUB002174</td><td>2232</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002174/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002174">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2233"><td></td><td><a href="/entries/PHUB002175">Hippuric acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hippuric acid-sulfate</td><td>PHUB002175</td><td>2233</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002175/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002175">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2234"><td></td><td><a href="/entries/PHUB002176">5-(Dihydroxyphenyl)-γ-valerolactone-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Dihydroxyphenyl)-γ-valerolactone-glucuronide</td><td>PHUB002176</td><td>2234</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002176/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002176">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2235"><td></td><td><a href="/entries/PHUB002177">5-(Dihydroxyphenyl)-γ-valerolactone-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Dihydroxyphenyl)-γ-valerolactone-sulfate</td><td>PHUB002177</td><td>2235</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002177/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002177">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2236"><td></td><td><a href="/entries/PHUB002178">5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate</td><td>PHUB002178</td><td>2236</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002178/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002178">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2237"><td></td><td><a href="/entries/PHUB002179">5-(Hydroxyphenyl)-γ-valerolactone-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Hydroxyphenyl)-γ-valerolactone-sulfate</td><td>PHUB002179</td><td>2237</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002179/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002179">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2238"><td></td><td><a href="/entries/PHUB002180">5-(Phenyl)-γ-valerolactone-methoxy-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-methoxy-sulfate</td><td>PHUB002180</td><td>2238</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002180/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002657">
8Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002180">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2239"><td></td><td><a href="/entries/PHUB002181">Methoxy-(â)-epigallocatechin-sulfate-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(â)-epigallocatechin-sulfate-glucuronide</td><td>PHUB002181</td><td>2239</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002181/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002181">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2240"><td></td><td><a href="/entries/PHUB002182">5-(Phenyl)-γ-valerolactone-4â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-4â²-sulfate</td><td>PHUB002182</td><td>2240</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002182/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002182">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2241"><td></td><td><a href="/entries/PHUB002183">5-(Phenyl)-γ-valerolactone-3â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-3â²-glucuronide</td><td>PHUB002183</td><td>2241</td><td>368.110732224</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002183/image.svg" src="" /></td><td>DPSUQBKEHXAIDY-KMENYQFWSA-N</td><td></td><td></td><td>368.338</td><td></td><td></td><td></td><td>InChI=1S/C17H20O9/c18-11-5-4-10(24-11)7-8-2-1-3-9(6-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-3,6,10,12-15,17,19-21H,4-5,7H2,(H,22,23)/t10-,12+,13+,14-,15?,17-/m1/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC=C2)OC([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002183">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2243"><td></td><td><a href="/entries/PHUB002185">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-sulfate</td><td>PHUB002185</td><td>2243</td><td>288.0303739</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>7</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002185/image.svg" src="" /></td><td>CVGUPVHDNVLHLW-SECBINFHSA-N</td><td></td><td></td><td>288.27</td><td></td><td></td><td></td><td>InChI=1S/C11H12O7S/c12-8-3-7(4-9-1-2-11(13)17-9)5-10(6-8)18-19(14,15)16/h3,5-6,9,12H,1-2,4H2,(H,14,15,16)/t9-/m1/s1</td><td>OC1=CC(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002185">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2244"><td></td><td><a href="/entries/PHUB002186">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</td><td>PHUB002186</td><td>2244</td><td>384.105646844</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002186/image.svg" src="" /></td><td>RUSMDDXSDLDLKU-QCUPUCICSA-N</td><td></td><td></td><td>384.337</td><td></td><td></td><td></td><td>InChI=1S/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9-,12+,13+,14-,15?,17-/m1/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC(O)=C2)OC([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002186">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2245"><td></td><td><a href="/entries/PHUB002187">5-(Phenyl)-γ-valerolactone-4â²-methoxy-3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-4'-methoxy-3'-sulfate</td><td>PHUB002187</td><td>2245</td><td>302.046023965</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002187/image.svg" src="" /></td><td>UUTUSNHPOCKXMX-IMWMWJONNA-N</td><td></td><td></td><td>302.3</td><td></td><td></td><td></td><td>InChI=1/C12H14O7S/c1-17-10-4-2-8(6-9-3-5-12(13)18-9)7-11(10)19-20(14,15)16/h2,4,7,9H,3,5-6H2,1H3,(H,14,15,16)/t9-/s2</td><td>COC1=C(OS(O)(=O)=O)C=C(C[C@H]2CCC(=O)O2)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002658">Almond Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002187">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2246"><td></td><td><a href="/entries/PHUB002188">(Epi)catechin-sulfate-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)catechin-sulfate-glucuronide</td><td>PHUB002188</td><td>2246</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002188/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002188">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2247"><td></td><td><a href="/entries/PHUB002189">(â)-Gallocatechin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(â)-Gallocatechin</td><td>PHUB002189</td><td>2247</td><td>306.073952791</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002189/image.svg" src="" /></td><td>XMOCLSLCDHWDHP-DOMZBBRYSA-N</td><td></td><td></td><td>306.27</td><td></td><td></td><td></td><td>InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1</td><td>O[C@@H]1CC2=C(O[C@H]1C1=CC(O)=C(O)C(O)=C1)C=C(O)C=C2O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002189">(â)-Gallocatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002189">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2249"><td></td><td><a href="/entries/PHUB002191">5-(Phenyl)-γ-valerolactone-5â²-methoxy-3â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-5â²-methoxy-3â²-glucuronide</td><td>PHUB002191</td><td>2249</td><td>398.121296908</td><td>C<sub>18</sub>H<sub>22</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002191/image.svg" src="" /></td><td>CNTRJTTYSVSMJL-CLANQDAESA-N</td><td></td><td></td><td>398.364</td><td></td><td></td><td></td><td>InChI=1S/C18H22O10/c1-25-10-5-8(4-9-2-3-12(19)26-9)6-11(7-10)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h5-7,9,13-16,18,20-22H,2-4H2,1H3,(H,23,24)/t9-,13+,14+,15-,16?,18-/m1/s1</td><td>COC1=CC(O[C@@H]2OC([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC(C[C@H]2CCC(=O)O2)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002191">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2250"><td></td><td><a href="/entries/PHUB002192">Pyrogallol 2-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Benzene-1,3-diol-2-glucuronide</td><td>PHUB002192</td><td>2250</td><td>302.063782031</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>Benzene-1,3-diol-2-glucuronide; Pyrogallol 2-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002192/image.svg" src="" /></td><td>SOHXEAWMMVSJFL-COGRHJPHSA-N</td><td></td><td></td><td>302.235</td><td></td><td></td><td></td><td>InChI=1S/C12H14O9/c13-4-2-1-3-5(14)9(4)20-12-8(17)6(15)7(16)10(21-12)11(18)19/h1-3,6-8,10,12-17H,(H,18,19)/t6-,7-,8+,10-,12+/m0/s1</td><td>[H][C@@]1(OC2=C(O)C=CC=C2O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002192">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2251"><td></td><td><a href="/entries/PHUB002193">1-methoxy-benzene-2-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1-methoxy-benzene-2-sulfate</td><td>PHUB002193</td><td>2251</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002193/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002193">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2252"><td></td><td><a href="/entries/PHUB002194">2-methoxy-benzene-1-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-methoxy-benzene-1-sulfate</td><td>PHUB002194</td><td>2252</td><td>204.009244532</td><td>C<sub>7</sub>H<sub>8</sub>O<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002194/image.svg" src="" /></td><td>AQTYXAPIHMXAAV-UHFFFAOYSA-N</td><td></td><td>(2-methoxyphenyl)oxidanesulfonic acid</td><td>204.2</td><td></td><td></td><td></td><td>InChI=1S/C7H8O5S/c1-11-6-4-2-3-5-7(6)12-13(8,9)10/h2-5H,1H3,(H,8,9,10)</td><td>COC1=C(OS(O)(=O)=O)C=CC=C1</td><td>-4.9176657354695115</td><td>-2.2794163475347817</td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002194">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2253"><td></td><td><a href="/entries/PHUB002195">catechol-2-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxybenzene-1-glucuronide</td><td>PHUB002195</td><td>2253</td><td>286.068867411</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td>2-Hydroxybenzene glucuronide; Hydroxy-benzene-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002195/image.svg" src="" /></td><td>ICPYZFZFSLTYID-GOVZDWNOSA-N</td><td></td><td>(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxyphenoxy)oxane-2-carboxylic acid</td><td>286.236</td><td></td><td></td><td></td><td>InChI=1S/C12H14O8/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1</td><td>[H][C@@]1(OC2=C(O)C=CC=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.6868279752692064</td><td>3.1547302284280687</td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002195">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2254"><td></td><td><a href="/entries/PHUB002196">Hydroxy-benzene-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxy-benzene-sulfate</td><td>PHUB002196</td><td>2254</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002196/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002196">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2255"><td></td><td><a href="/entries/PHUB002197">5-(4â²,5â²-Dihydroxyphenyl)-γ-valerolactone 3â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(4â²,5â²-Dihydroxyphenyl)-γ-valerolactone-3â²-glucuronide</td><td>PHUB002197</td><td>2255</td><td>400.100561464</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002197/image.svg" src="" /></td><td>VQHXMQYHVVQQFP-MODNWENKSA-N</td><td></td><td></td><td>400.336</td><td></td><td></td><td></td><td>InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7-,12+,13+,14-,15?,17-/m1/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC(O)=C2O)OC([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002197">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2256"><td></td><td><a href="/entries/PHUB002198">5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone 4â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone 4â²-glucuronide</td><td>PHUB002198</td><td>2256</td><td>400.100561464</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002198/image.svg" src="" /></td><td>ATYNVCXMADLPJQ-OEDKHLDMSA-N</td><td></td><td></td><td>400.336</td><td></td><td></td><td></td><td>InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(20)26-7)5-9(19)14(8)27-17-13(23)11(21)12(22)15(28-17)16(24)25/h4-5,7,11-13,15,17-19,21-23H,1-3H2,(H,24,25)/t7-,11+,12+,13-,15+,17-/m1/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=C(C[C@H]3CCC(=O)O3)C=C2O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002198">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2257"><td></td><td><a href="/entries/PHUB002199">5-(4â²,5â²-Dihydroxyphenyl)-γ-valerolactone 3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(4â²,5â²-Dihydroxyphenyl)-γ-valerolactone 3â²-sulfate</td><td>PHUB002199</td><td>2257</td><td>304.02528852</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>8</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002199/image.svg" src="" /></td><td>OMISYDASOKPVDK-SSDOTTSWSA-N</td><td></td><td></td><td>304.27</td><td></td><td></td><td></td><td>InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(13)18-7)5-9(11(8)14)19-20(15,16)17/h4-5,7,12,14H,1-3H2,(H,15,16,17)/t7-/m1/s1</td><td>OC1=C(O)C(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002199">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2258"><td></td><td><a href="/entries/PHUB002200">5-(Hydroxyphenyl)-γ-valerolactone-methoxy-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Hydroxyphenyl)-γ-valerolactone-methoxy-glucuronide</td><td>PHUB002200</td><td>2258</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002200/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002200">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2259"><td></td><td><a href="/entries/PHUB002201">5-(Hydroxyphenyl)-γ-valerolactone-sulfate-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Hydroxyphenyl)-γ-valerolactone-sulfate-glucuronide</td><td>PHUB002201</td><td>2259</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002201/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002201">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2261"><td></td><td><a href="/entries/PHUB002203">Methoxy-(Epi)gallocatechin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)gallocatechin-sulfate</td><td>PHUB002203</td><td>2261</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002203/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002663">Grape Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002203">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2262"><td></td><td><a href="/entries/PHUB002204">Dimethoxy-(epi)gallocatechin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Dimethoxy-(epi)gallocatechin-sulfate</td><td>PHUB002204</td><td>2262</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002204/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002204">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2264"><td></td><td><a href="/entries/PHUB002206">Methoxy-(epi)catechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)catechin-glucuronide</td><td>PHUB002206</td><td>2264</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002206/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002663">Grape Flavan-3-ols</a> / <a href="/entries/PHUB002658">Almond Flavan-3-ols</a> / <a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002654">Red Wine Flavan-3-ols</a> / <a href="/entries/PHUB000261">(+)-Catechin</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002206">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2265"><td></td><td><a href="/entries/PHUB002207">(+)-Epicatechin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(+)-Epicatechin</td><td>PHUB002207</td><td>2265</td><td>290.079038171</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002207/image.svg" src="" /></td><td>PFTAWBLQPZVEMU-ZFWWWQNUSA-N</td><td></td><td>(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</td><td>290.271</td><td>6.45e-01 g/l</td><td>1.02</td><td>-2.65</td><td>InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1</td><td>O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC=C(O)C(O)=C1</td><td>-3.2897193322428566</td><td>9.004573813837975</td><td></td><td><a href="/entries/PHUB002311">(+)-epicatechin-3â²-glucuronide</a> / <a href="/entries/PHUB002312">(+)-epicatechin-5-sulfate</a> / <a href="/entries/PHUB002313">(+)-epicatechin-3â²-sulfate</a> / <a href="/entries/PHUB002208">(+)-Epicatechin-glucuronide</a> / <a href="/entries/PHUB002209">Methoxy-(+)-epicatechin-sulfate</a> / <a href="/entries/PHUB002210">(+)-Epicatechin-sulfate</a> / <a href="/entries/PHUB002207">(+)-Epicatechin</a> / <a href="/entries/PHUB002215">3'-O-Methylcatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002207">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2266"><td></td><td><a href="/entries/PHUB002208">(+)-Epicatechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(+)-Epicatechin-glucuronide</td><td>PHUB002208</td><td>2266</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002208/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002207">(+)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002208">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2270"><td></td><td><a href="/entries/PHUB002212">5-(Phenyl)-γ-valerolactone-3â²-methoxy-4â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-3â²-methoxy-4â²-glucuronide</td><td>PHUB002212</td><td>2270</td><td>398.121296908</td><td>C<sub>18</sub>H<sub>22</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002212/image.svg" src="" /></td><td>NGMVEYPQYAIGEI-XLDSZWISSA-N</td><td></td><td></td><td>398.364</td><td></td><td></td><td></td><td>InChI=1S/C18H22O10/c1-25-11-7-8(6-9-3-5-12(19)26-9)2-4-10(11)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)/t9-,13+,14+,15-,16+,18-/m1/s1</td><td>COC1=CC(C[C@H]2CCC(=O)O2)=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002658">Almond Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002212">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2271"><td></td><td><a href="/entries/PHUB002213">5-(Phenyl)-γ-valerolactone-4â²-methoxy-3â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-4â²-methoxy-3â²-glucuronide</td><td>PHUB002213</td><td>2271</td><td>398.121296908</td><td>C<sub>18</sub>H<sub>22</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002213/image.svg" src="" /></td><td>VZGJAVFCUBLIJF-CLANQDAESA-N</td><td></td><td></td><td>398.364</td><td></td><td></td><td></td><td>InChI=1S/C18H22O10/c1-25-10-4-2-8(6-9-3-5-12(19)26-9)7-11(10)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)/t9-,13+,14+,15-,16?,18-/m1/s1</td><td>COC1=CC=C(C[C@H]2CCC(=O)O2)C=C1O[C@@H]1OC([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002658">Almond Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002213">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2273"><td></td><td><a href="/entries/PHUB002215">3'-O-Methylcatechin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxy-(+)-catechin</td><td>PHUB002215</td><td>2273</td><td>304.094688235</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td>(+)-catechin-3'-methyl ether; (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol</td><td class="structure"><img data-src="/structures/PHUB002215/image.svg" src="" /></td><td>NJHJXXLBWQXMRO-XJKSGUPXSA-N</td><td>60383-97-3</td><td></td><td>304.298</td><td></td><td></td><td></td><td>InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1</td><td>COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@@H]1O)C(O)=CC(O)=C2</td><td>-3.2899991857638278</td><td>9.307243628972145</td><td></td><td><a href="/entries/PHUB000261">(+)-Catechin</a> / <a href="/entries/PHUB002207">(+)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002215">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2274"><td></td><td><a href="/entries/PHUB002216">5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate</td><td>PHUB002216</td><td>2274</td><td>302.046023965</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002216/image.svg" src="" /></td><td>FYRRHCSCZYSADR-SECBINFHSA-N</td><td></td><td>(2-methoxy-4-{[(2R)-5-oxooxolan-2-yl]methyl}phenyl)oxidanesulfonic acid</td><td>302.3</td><td></td><td></td><td></td><td>InChI=1S/C12H14O7S/c1-17-11-7-8(6-9-3-5-12(13)18-9)2-4-10(11)19-20(14,15)16/h2,4,7,9H,3,5-6H2,1H3,(H,14,15,16)/t9-/m1/s1</td><td>COC1=CC(C[C@H]2CCC(=O)O2)=CC=C1OS(O)(=O)=O</td><td>-4.915055610837539</td><td>-2.0779261468112624</td><td></td><td><a href="/entries/PHUB002659">
8Apple Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002658">Almond Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002216">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2276"><td></td><td><a href="/entries/PHUB002218">5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone-4â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone-4â²-sulfate</td><td>PHUB002218</td><td>2276</td><td>304.02528852</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002218/image.svg" src="" /></td><td>NPIMUIQBYBJSBB-SSDOTTSWSA-N</td><td></td><td>(2,6-dihydroxy-4-{[(2R)-5-oxooxolan-2-yl]methyl}phenyl)oxidanesulfonic acid</td><td>304.27</td><td></td><td></td><td></td><td>InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(14)18-7)5-9(13)11(8)19-20(15,16)17/h4-5,7,12-13H,1-3H2,(H,15,16,17)/t7-/m1/s1</td><td>OC1=CC(C[C@H]2CCC(=O)O2)=CC(O)=C1OS(O)(=O)=O</td><td>-4.1240228830472905</td><td>-2.30219775569222</td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002218">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2278"><td></td><td><a href="/entries/PHUB002220">4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate</td><td>PHUB002220</td><td>2278</td><td>290.046023965</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002220/image.svg" src="" /></td><td>DMBFBGLRQKIWGT-UHFFFAOYNA-N</td><td></td><td></td><td>290.29</td><td></td><td></td><td></td><td>InChI=1/C11H14O7S/c12-9(4-5-11(13)14)6-8-2-1-3-10(7-8)18-19(15,16)17/h1-3,7,9,12H,4-6H2,(H,13,14)(H,15,16,17)</td><td>OC(CCC(O)=O)CC1=CC=CC(OS(O)(=O)=O)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002220">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2279"><td></td><td><a href="/entries/PHUB002221">4-Hydroxy-5-(phenyl)valeric acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(phenyl)valeric acid-4'-sulfate</td><td>PHUB002221</td><td>2279</td><td>290.046023965</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002221/image.svg" src="" /></td><td>GIYMZAJHBZLOGR-SECBINFHSA-N</td><td></td><td></td><td>290.29</td><td></td><td></td><td></td><td>InChI=1S/C11H14O7S/c12-9(3-6-11(13)14)7-8-1-4-10(5-2-8)18-19(15,16)17/h1-2,4-5,9,12H,3,6-7H2,(H,13,14)(H,15,16,17)/t9-/m1/s1</td><td>O[C@H](CCC(O)=O)CC1=CC=C(OS(O)(=O)=O)C=C1</td><td>-2.7476334801376208</td><td>-1.9624456375449064</td><td></td><td><a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002221">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2280"><td></td><td><a href="/entries/PHUB002222">5-(4'-Hydroxyphenyl)valeric acid-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(4'-Hydroxyphenyl)valeric acid-3'-glucuronide</td><td>PHUB002222</td><td>2280</td><td>386.121296908</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002222/image.svg" src="" /></td><td>PFXCVFMGZFVRNQ-KSXIZUIISA-N</td><td></td><td></td><td>386.353</td><td></td><td></td><td></td><td>InChI=1S/C17H22O10/c18-9-6-5-8(3-1-2-4-11(19)20)7-10(9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13-,14+,15-,17+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC(CCCCC(O)=O)=CC=C2O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002222">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2281"><td></td><td><a href="/entries/PHUB002223">5-(3'-Hydroxyphenyl)valeric acid-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3'-Hydroxyphenyl)valeric acid-4'-glucuronide</td><td>PHUB002223</td><td>2281</td><td>386.121296908</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002223/image.svg" src="" /></td><td>UGIYSEJJABCPSW-KSXIZUIISA-N</td><td></td><td></td><td>386.353</td><td></td><td></td><td></td><td>InChI=1S/C17H22O10/c18-9-7-8(3-1-2-4-11(19)20)5-6-10(9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13-,14+,15-,17+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(CCCCC(O)=O)C=C2O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002223">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2282"><td></td><td><a href="/entries/PHUB002224">4-Hydroxy-5-(hydroxyphenyl)valeric acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(hydroxyphenyl)valeric acid-sulfate</td><td>PHUB002224</td><td>2282</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002224/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002224">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2283"><td></td><td><a href="/entries/PHUB002225">5-(Phenyl)valeric acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)valeric acid-sulfate</td><td>PHUB002225</td><td>2283</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002225/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002225">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2284"><td></td><td><a href="/entries/PHUB002226">5-(Phenyl)valeric acid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)valeric acid-glucuronide</td><td>PHUB002226</td><td>2284</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002226/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002226">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2285"><td></td><td><a href="/entries/PHUB002227">3-(Phenyl)propionic acid-4â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(phenyl)propanoic acid-4â²-sulfate</td><td>PHUB002227</td><td>2285</td><td>246.019809216</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002227/image.svg" src="" /></td><td>YKAVCSNFDHAGEG-UHFFFAOYSA-N</td><td></td><td></td><td>246.23</td><td>1.07e+00 g/l</td><td>-0.67</td><td>-2.36</td><td>InChI=1S/C9H10O6S/c10-9(11)6-3-7-1-4-8(5-2-7)15-16(12,13)14/h1-2,4-5H,3,6H2,(H,10,11)(H,12,13,14)</td><td>OC(=O)CCC1=CC=C(OS(O)(=O)=O)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002227">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2286"><td></td><td><a href="/entries/PHUB002228">3â²-Methoxyphenylacetic acid-4â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3â²-Methoxyphenylacetic acid-4â²-sulfate</td><td>PHUB002228</td><td>2286</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td>Homovanillic acid sulfate</td><td class="structure"><img data-src="/structures/PHUB002228/image.svg" src="" /></td><td>IACOAKYXFIWAQN-UHFFFAOYSA-N</td><td></td><td>2-[3-methoxy-4-(sulfooxy)phenyl]acetic acid</td><td>262.23</td><td>1.34e+00 g/l</td><td>-0.75</td><td>-2.29</td><td>InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)</td><td>COC1=CC(CC(O)=O)=CC=C1OS(O)(=O)=O</td><td>-4.919168737537945</td><td>-2.2466080831481268</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002228">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2287"><td></td><td><a href="/entries/PHUB002229">4â²-Methoxyphenylacetic acid-3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4â²-Methoxyphenylacetic acid-3â²-sulfate</td><td>PHUB002229</td><td>2287</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002229/image.svg" src="" /></td><td>COVLBNYCVONHJL-UHFFFAOYSA-N</td><td></td><td>2-[4-methoxy-3-(sulfooxy)phenyl]acetic acid</td><td>262.23</td><td>1.42e+00 g/l</td><td>-0.74</td><td>-2.27</td><td>InChI=1S/C9H10O7S/c1-15-7-3-2-6(5-9(10)11)4-8(7)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)</td><td>COC1=CC=C(CC(O)=O)C=C1OS(O)(=O)=O</td><td>-4.917611822110797</td><td>-2.246507433531166</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB001371">Tyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002229">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2288"><td></td><td><a href="/entries/PHUB002230">Methoxyphenylacetic acid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxyphenylacetic acid-glucuronide</td><td>PHUB002230</td><td>2288</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002230/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002230">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2289"><td></td><td><a href="/entries/PHUB002231">Benzoic acid-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Benzoic acid-3-sulfate</td><td>PHUB002231</td><td>2289</td><td>217.988509087</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002231/image.svg" src="" /></td><td>MZYPOJMKJHCOQG-UHFFFAOYSA-N</td><td></td><td></td><td>218.18</td><td></td><td></td><td></td><td>InChI=1S/C7H6O6S/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12)</td><td>OC(=O)C1=CC(OS(O)(=O)=O)=CC=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002231">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2290"><td></td><td><a href="/entries/PHUB002232">3'-Methoxy-(â)-epicatechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxy-(â)-epicatechin-glucuronide</td><td>PHUB002232</td><td>2290</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002232/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002232">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2291"><td></td><td><a href="/entries/PHUB002233">4'-Methoxy-(â)-epicatechin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002233</td><td>2291</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002233/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002233">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2292"><td></td><td><a href="/entries/PHUB002234">5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</td><td>PHUB002234</td><td>2292</td><td>384.105646844</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002234/image.svg" src="" /></td><td>OTBJYBQGMPICIK-UYQMYPNPSA-N</td><td></td><td></td><td>384.337</td><td></td><td></td><td></td><td>InChI=1S/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8-,12+,13+,14-,15+,17-/m1/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C[C@H]3CCC(=O)O3)C=C2O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB002658">Almond Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002234">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2293"><td></td><td><a href="/entries/PHUB002235">5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone</td><td>PHUB002235</td><td>2293</td><td>208.073558866</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002235/image.svg" src="" /></td><td>WAKFBGOXOFLZLZ-SNVBAGLBSA-N</td><td></td><td></td><td>208.213</td><td></td><td></td><td></td><td>InChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2/t10-/m1/s1</td><td>OC1=CC(C[C@H]2CCC(=O)O2)=CC(O)=C1</td><td>-5.671178184662789</td><td>9.18696934572943</td><td></td><td><a href="/entries/PHUB002655">
8Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002235">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2294"><td></td><td><a href="/entries/PHUB002236">Methoxy-(â)-epicatechin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(â)-epicatechin-sulfate</td><td>PHUB002236</td><td>2294</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002236/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a> / <a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002236">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2296"><td></td><td><a href="/entries/PHUB002238">4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-3'-glucuronide</td><td>PHUB002238</td><td>2296</td><td>402.116211528</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002238/image.svg" src="" /></td><td>BKJQCPDRWDNBIN-NMKWKLTFNA-N</td><td></td><td></td><td>402.352</td><td></td><td></td><td></td><td>InChI=1/C17H22O11/c18-8(2-4-11(20)21)5-7-1-3-9(19)10(6-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-19,22-24H,2,4-5H2,(H,20,21)(H,25,26)/t8-,12?,13?,14?,15?,17?/s2</td><td>O[C@H](CCC(O)=O)CC1=CC=C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002238">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2297"><td></td><td><a href="/entries/PHUB002239">(Epi)catechin-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)catechin-disulfate</td><td>PHUB002239</td><td>2297</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002239/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002659">Apple Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002239">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2299"><td></td><td><a href="/entries/PHUB002241">Methoxy-(epi)gallocatechin-sulfate-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)gallocatechin-sulfate-glucuronide</td><td>PHUB002241</td><td>2299</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002241/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002241">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2300"><td></td><td><a href="/entries/PHUB002242">5-(Phenyl)-valeric acid-sulfate-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-valeric acid-sulfate-glucuronide</td><td>PHUB002242</td><td>2300</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002242/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002242">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2301"><td></td><td><a href="/entries/PHUB002243">4-Hydroxy-5-(phenyl)-valeric acid-methoxy-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002243</td><td>2301</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002243/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002243">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2303"><td></td><td><a href="/entries/PHUB002245">Procyanidin B-type sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Procyanidin B-type sulfate</td><td>PHUB002245</td><td>2303</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002245/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002245">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2305"><td></td><td><a href="/entries/PHUB002247">5-(Phenyl)-γ-valerolactone-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-4â²-glucuronide</td><td>PHUB002247</td><td>2305</td><td>368.110732224</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>9</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002247/image.svg" src="" /></td><td>FTDMUGVYLIJMHW-BOHPSUBWSA-N</td><td></td><td></td><td>368.338</td><td></td><td></td><td></td><td>InChI=1S/C17H20O9/c18-11-6-5-10(24-11)7-8-1-3-9(4-2-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-4,10,12-15,17,19-21H,5-7H2,(H,22,23)/t10-,12+,13+,14-,15+,17-/m1/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C[C@H]3CCC(=O)O3)C=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.6868267613770525</td><td>3.250457086964041</td><td></td><td><a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002247">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2307"><td></td><td><a href="/entries/PHUB002249">5-(Hydroxyphenyl)-valeric acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002249</td><td>2307</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002249/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002249">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2309"><td></td><td><a href="/entries/PHUB002251">5-(Phenyl)valeric acid-methoxy-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)valeric acid-methoxy-sulfate</td><td>PHUB002251</td><td>2309</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002251/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002251">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2310"><td></td><td><a href="/entries/PHUB002252">Methoxy-(epi)catechin-3-O-gallate-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)catechin-3-O-gallate-sulfate</td><td>PHUB002252</td><td>2310</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002252/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002252">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2311"><td></td><td><a href="/entries/PHUB002253">Methoxy-(epi)catechin-3-O-gallate-sulfate-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)catechin-3-O-gallate-sulfate-glucuronide</td><td>PHUB002253</td><td>2311</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002253/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002253">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2313"><td></td><td><a href="/entries/PHUB002255">(Epi)catechin-3-O-gallate-sulfate-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)catechin-3-O-gallate-sulfate-glucuronide</td><td>PHUB002255</td><td>2313</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002255/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002255">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2314"><td></td><td><a href="/entries/PHUB002256">(Epi)gallocatechin-3-O-gallate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)gallocatechin-3-O-gallate</td><td>PHUB002256</td><td>2314</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002256/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002256">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2315"><td></td><td><a href="/entries/PHUB002257">Methoxy-(epi)gallocatechin-3-O-gallate-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-(epi)gallocatechin-3-O-gallate-sulfate</td><td>PHUB002257</td><td>2315</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002257/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002257">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2316"><td></td><td><a href="/entries/PHUB002258">4-Hydroxy-5-(phenyl)valeric acid-methoxy-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(phenyl)-valeric acid-methoxy-sulfate</td><td>PHUB002258</td><td>2316</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002258/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002659">Apple Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002258">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2317"><td></td><td><a href="/entries/PHUB002259">4-Hydroxy-5-(hydroxyphenyl)valeric acid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(hydroxyphenyl)valeric acid-glucuronide</td><td>PHUB002259</td><td>2317</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002259/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002259">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2318"><td></td><td><a href="/entries/PHUB002260">4-Hydroxy-5-(phenyl)valeric acid-methoxy-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(phenyl)valeric acid-methoxy-glucuronide</td><td>PHUB002260</td><td>2318</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002260/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002260">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2319"><td></td><td><a href="/entries/PHUB002261">4-Hydroxy-5-(hydroxyphenyl)valeric acid-methoxy-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(hydroxyphenyl)valeric acid-methoxy-glucuronide</td><td>PHUB002261</td><td>2319</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002261/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002261">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2320"><td></td><td><a href="/entries/PHUB002262">5-(Phenyl)valeric acid-3â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)valeric acid-3â²-glucuronide</td><td>PHUB002262</td><td>2320</td><td>370.126382288</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002262/image.svg" src="" /></td><td>QIDJFDSJLFBCAV-KSXIZUIISA-N</td><td></td><td></td><td>370.354</td><td></td><td></td><td></td><td>InChI=1S/C17H22O9/c18-11(19)7-2-1-4-9-5-3-6-10(8-9)25-17-14(22)12(20)13(21)15(26-17)16(23)24/h3,5-6,8,12-15,17,20-22H,1-2,4,7H2,(H,18,19)(H,23,24)/t12-,13-,14+,15-,17+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC(CCCCC(O)=O)=CC=C2)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002262">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2321"><td></td><td><a href="/entries/PHUB002263">5-(4â²-Hydroxyphenyl)-valeric acid-3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(4â²-Hydroxyphenyl)-valeric acid-3â²-sulfate</td><td>PHUB002263</td><td>2321</td><td>290.046023965</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002263/image.svg" src="" /></td><td>OUPGXCOAIUBOQD-UHFFFAOYSA-N</td><td></td><td></td><td>290.29</td><td></td><td></td><td></td><td>InChI=1S/C11H14O7S/c12-9-6-5-8(3-1-2-4-11(13)14)7-10(9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)</td><td>OC(=O)CCCCC1=CC=C(O)C(OS(O)(=O)=O)=C1</td><td>-4.372762430300872</td><td>-1.9313152492449952</td><td></td><td><a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002263">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2322"><td></td><td><a href="/entries/PHUB002264">5-(Phenyl)valeric acid-3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)valeric acid-3â²-sulfate</td><td>PHUB002264</td><td>2322</td><td>274.051109345</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002264/image.svg" src="" /></td><td>WZBQIUSHSKDLFF-UHFFFAOYSA-N</td><td></td><td></td><td>274.29</td><td></td><td></td><td></td><td>InChI=1S/C11H14O6S/c12-11(13)7-2-1-4-9-5-3-6-10(8-9)17-18(14,15)16/h3,5-6,8H,1-2,4,7H2,(H,12,13)(H,14,15,16)</td><td>OC(=O)CCCCC1=CC=CC(OS(O)(=O)=O)=C1</td><td></td><td>-1.7399968791838336</td><td></td><td><a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002264">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2323"><td></td><td><a href="/entries/PHUB002265">(Epi)catechin-3-O-gallate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(Epi)catechin-3-O-gallate</td><td>PHUB002265</td><td>2323</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002265/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002265">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2324"><td></td><td><a href="/entries/PHUB002266">3â²-Methoxy-(â)-epicatechin-5â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxy-(â)-epicatechin-5â²-glucuronide</td><td>PHUB002266</td><td>2324</td><td>480.126776213</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002266/image.svg" src="" /></td><td>WMVRRRYTJXAVND-FDRKUGEKSA-N</td><td></td><td></td><td>480.422</td><td></td><td></td><td></td><td>InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)24)19-12(25)7-10-13(32-19)5-9(23)6-14(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002266">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2325"><td></td><td><a href="/entries/PHUB002267">5-(Phenyl)-γ-valerolactone-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-sulfate</td><td>PHUB002267</td><td>2325</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002267/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002267">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2326"><td></td><td><a href="/entries/PHUB002268">Pyrogallol 2-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Benzene-1,3-diol-2-sulfate</td><td>PHUB002268</td><td>2326</td><td>205.988509087</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>Benzene-1,3-diol-2-sulfate; Pyrogallol 2-sulfate</td><td class="structure"><img data-src="/structures/PHUB002268/image.svg" src="" /></td><td>XADBYTWTQXSBAF-UHFFFAOYSA-N</td><td></td><td></td><td>206.17</td><td></td><td></td><td></td><td>InChI=1S/C6H6O6S/c7-4-2-1-3-5(8)6(4)12-13(9,10)11/h1-3,7-8H,(H,9,10,11)</td><td>OC1=CC=CC(O)=C1OS(O)(=O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002268">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2327"><td></td><td><a href="/entries/PHUB002269">3-Methoxy-trihydroxybenzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methoxy-trihydroxybenzoic acid</td><td>PHUB002269</td><td>2327</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002269/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a> / <a href="/entries/PHUB002660">Black tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002269">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2328"><td></td><td><a href="/entries/PHUB002270">Methoxy-dihydroxybenzoic acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-dihydroxybenzoic acid-sulfate</td><td>PHUB002270</td><td>2328</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002270/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002270">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2329"><td></td><td><a href="/entries/PHUB002271">Trihydroxybenzoic acid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Trihydroxybenzoic acid-glucuronide</td><td>PHUB002271</td><td>2329</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002271/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002271">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2330"><td></td><td><a href="/entries/PHUB002272">Methoxy-dihydroxybenzoic acid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxy-dihydroxybenzoic acid-glucuronide</td><td>PHUB002272</td><td>2330</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002272/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002657">
8Green tea Flavan-3-ols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002272">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2331"><td></td><td><a href="/entries/PHUB002273">Tetrahydrocurcumin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Tetrahydrocurcumin</td><td>PHUB002273</td><td>2331</td><td>372.157288493</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002273/image.svg" src="" /></td><td>PNTMRHGYQCMNCZ-SSZFMOIBSA-N</td><td></td><td></td><td>372.417</td><td></td><td></td><td></td><td>InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-13,22,24-25H,3-4,7-8H2,1-2H3/b16-13-</td><td>COC1=C(O)C=CC(CC\C(O)=C\C(=O)CCC2=CC(OC)=C(O)C=C2)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002667">Curcuminoids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002273">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2332"><td></td><td><a href="/entries/PHUB002274">hexahydrocurcumin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hexahydrocurcumin</td><td>PHUB002274</td><td>2332</td><td>374.172938557</td><td>C<sub>21</sub>H<sub>26</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002274/image.svg" src="" /></td><td>RSAHICAPUYTWHW-UHFFFAOYNA-N</td><td></td><td>5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one</td><td>374.433</td><td>7.70e-03 g/l</td><td>2.87</td><td>-4.69</td><td>InChI=1/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3</td><td>COC1=CC(CCC(O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O</td><td>-2.76649008280636</td><td>9.77958922446807</td><td></td><td><a href="/entries/PHUB002667">Curcuminoids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002274">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2333"><td></td><td><a href="/entries/PHUB002275">octahydrocurcumin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Octahydrocurcumin</td><td>PHUB002275</td><td>2333</td><td>376.188588622</td><td>C<sub>21</sub>H<sub>28</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002275/image.svg" src="" /></td><td>OELMAFBLFOKZJD-UHFFFAOYNA-N</td><td></td><td>1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol</td><td>376.449</td><td>1.32e-02 g/l</td><td>2.55</td><td>-4.46</td><td>InChI=1/C21H28O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3</td><td>COC1=CC(CCC(O)CC(O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O</td><td>-2.725858104017634</td><td>9.976033076010715</td><td></td><td><a href="/entries/PHUB002667">Curcuminoids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002275">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2334"><td></td><td><a href="/entries/PHUB002276">hexahydrocurcumin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hexahydrocurcumin glucuronide</td><td>PHUB002276</td><td>2334</td><td>550.205026535</td><td>C<sub>27</sub>H<sub>34</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002276/image.svg" src="" /></td><td>HYPGOIVJCQYOQR-USZYGUOMSA-N</td><td></td><td></td><td>550.557</td><td></td><td></td><td></td><td>InChI=1S/C27H34O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h5-6,9-12,16,22-25,27-28,30-33H,3-4,7-8,13H2,1-2H3,(H,34,35)/t16?,22-,23-,24+,25-,27+/m0/s1</td><td>COC1=C(O)C=CC(CCC(O)CC(=O)CCC2=CC(OC)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB001408">Curcumin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002276">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2335"><td></td><td><a href="/entries/PHUB002277">Synephrine sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002277</td><td>2335</td><td></td><td>C<sub>9</sub>H<sub>13</sub>NO<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Miscellaneous alkaloid metabolites</td><td>Oxedrine sulfate; p-Synephrine sulfate; parasympatol sulfate; sympaethamine sulfate; synefrine sulfate</td><td class="structure"><img data-src="/structures/PHUB002277/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002331">Synephrine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002277">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2336"><td></td><td><a href="/entries/PHUB002278">Lactucin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002278</td><td>2336</td><td></td><td>C<sub>15</sub>H<sub>16</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002278/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000133">Lactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002278">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2338"><td></td><td><a href="/entries/PHUB002280">Lactucin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002280</td><td>2338</td><td></td><td>C<sub>21</sub>H<sub>24</sub>O<sub>5</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002280/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000133">Lactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002280">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2339"><td></td><td><a href="/entries/PHUB002281">Dihydrolactucin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002281</td><td>2339</td><td></td><td>C<sub>15</sub>H<sub>18</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002281/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002103">11β,13-dihydrolactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002281">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2340"><td></td><td><a href="/entries/PHUB002282">Dihydrolactucin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002282</td><td>2340</td><td></td><td>C<sub>21</sub>H<sub>26</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002282/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002103">11β,13-dihydrolactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002282">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2341"><td></td><td><a href="/entries/PHUB002283">Dihydrolactucopicrin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002283</td><td>2341</td><td></td><td>C<sub>23</sub>H<sub>24</sub>O<sub>10</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002283/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002316">11beta,13-dihydrolactucopicrin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002283">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2342"><td></td><td><a href="/entries/PHUB002284">Dihydrolactucopicrin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002284</td><td>2342</td><td></td><td>C<sub>29</sub>H<sub>32</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002284/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002316">11beta,13-dihydrolactucopicrin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002284">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2344"><td></td><td><a href="/entries/PHUB002286">3-(phenyl)propionic acid-3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(phenyl)propanoic acid-3â²-sulfate</td><td>PHUB002286</td><td>2344</td><td>246.019809216</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002286/image.svg" src="" /></td><td>IQWLPDPKVFZEOK-UHFFFAOYSA-N</td><td></td><td>3-[3-(sulfooxy)phenyl]propanoic acid</td><td>246.23</td><td>1.20e+00 g/l</td><td>-0.71</td><td>-2.31</td><td>InChI=1S/C9H10O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-3,6H,4-5H2,(H,10,11)(H,12,13,14)</td><td>OC(=O)CCC1=CC(OS(O)(=O)=O)=CC=C1</td><td></td><td>-2.074403909033981</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002286">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2345"><td></td><td><a href="/entries/PHUB002287">hydroxyphenylacetic acid-4â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>hydroxyphenylacetic acid-4â²-sulfate</td><td>PHUB002287</td><td>2345</td><td>232.004159152</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002287/image.svg" src="" /></td><td>BVUMIHICABFWGS-UHFFFAOYSA-N</td><td></td><td>sulfo 2-(4-hydroxyphenyl)acetate</td><td>232.21</td><td>1.81e+00 g/l</td><td>-0.60</td><td>-2.11</td><td>InChI=1S/C8H8O6S/c9-7-3-1-6(2-4-7)5-8(10)14-15(11,12)13/h1-4,9H,5H2,(H,11,12,13)</td><td>OC1=CC=C(CC(=O)OS(O)(=O)=O)C=C1</td><td>-5.9585573294338</td><td>-2.1135936120969725</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002287">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2346"><td></td><td><a href="/entries/PHUB002288">hydroxyphenylacetic acid-3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>hydroxyphenylacetic acid-3â²-sulfate</td><td>PHUB002288</td><td>2346</td><td>232.004159152</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002288/image.svg" src="" /></td><td>IIODELUADFSHIZ-UHFFFAOYSA-N</td><td></td><td>2-[4-(sulfooxy)phenyl]acetic acid</td><td>232.21</td><td>2.11e+00 g/l</td><td>-0.87</td><td>-2.04</td><td>InChI=1S/C8H8O6S/c9-8(10)5-6-1-3-7(4-2-6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)</td><td>OC(=O)CC1=CC=C(OS(O)(=O)=O)C=C1</td><td></td><td>-2.20249925048582</td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002288">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2347"><td></td><td><a href="/entries/PHUB002289">2-Benzoxazolinone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3H-1,3-benzoxazol-2-one</td><td>PHUB002289</td><td>2347</td><td>135.032028405</td><td>C<sub>7</sub>H<sub>5</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Benzoxazolol; Benzoxazol-2-one; BOA</td><td class="structure"><img data-src="/structures/PHUB002289/image.svg" src="" /></td><td>ASSKVPFEZFQQNQ-UHFFFAOYSA-N</td><td>59-49-4</td><td>1,3-benzoxazol-2-ol</td><td>135.122</td><td>2.09e+01 g/l</td><td>1.96</td><td>-0.81</td><td>InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)</td><td>OC1=NC2=CC=CC=C2O1</td><td>-2.246536416534629</td><td>8.021842367905553</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002289">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2348"><td></td><td><a href="/entries/PHUB002290">2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one</td><td>PHUB002290</td><td>2348</td><td>211.048072394</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>5</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>DIMBOA</td><td class="structure"><img data-src="/structures/PHUB002290/image.svg" src="" /></td><td>GDNZNIJPBQATCZ-UHFFFAOYSA-N</td><td>15893-52-4</td><td>2,4-dihydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>211.173</td><td>2.46e+01 g/l</td><td>0.13</td><td>-0.93</td><td>InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3</td><td>COC1=CC2=C(C=C1)N(O)C(=O)C(O)O2</td><td>-4.649065621954125</td><td>7.847779965290949</td><td></td><td><a href="/entries/PHUB002306">2,4-dihydroxy-7-methoxy-1,4-benzoxazine-3(4H)-one glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002290">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2349"><td></td><td><a href="/entries/PHUB002291">6-Methoxy-2-benzoxazolinone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>6-methoxy-3H-1,3-benzoxazol-2-one</td><td>PHUB002291</td><td>2349</td><td>165.042593089</td><td>C<sub>8</sub>H<sub>7</sub>NO<sub>3</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Coixol; MBOA</td><td class="structure"><img data-src="/structures/PHUB002291/image.svg" src="" /></td><td>MKMCJLMBVKHUMS-UHFFFAOYSA-N</td><td>532-91-2</td><td>6-methoxy-1,3-benzoxazol-2-ol</td><td>165.148</td><td>1.23e+01 g/l</td><td>1.82</td><td>-1.13</td><td>InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)</td><td>COC1=CC2=C(C=C1)N=C(O)O2</td><td>-2.013412426303942</td><td>8.1354349653664</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002291">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2350"><td></td><td><a href="/entries/PHUB002292">2-Hydroxy-1,4-benzoxazin-3-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-hydroxy-4H-1,4-benzoxazin-3-one</td><td>PHUB002292</td><td>2350</td><td>165.042593089</td><td>C<sub>8</sub>H<sub>7</sub>NO<sub>3</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one; 2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one; HBOA</td><td class="structure"><img data-src="/structures/PHUB002292/image.svg" src="" /></td><td>VMQBFYRBJKDACN-UHFFFAOYSA-N</td><td>23520-34-5</td><td>2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>165.148</td><td></td><td></td><td></td><td>InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)</td><td>OC1OC2=CC=CC=C2NC1=O</td><td>-4.931534186244801</td><td>10.045620220439782</td><td></td><td><a href="/entries/PHUB002410">2-hydroxy-1,4-benzoxazin-3-one glucuronide</a> / <a href="/entries/PHUB002428">2-hydroxy-1,4-benzoxazin-3-one sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002292">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2351"><td></td><td><a href="/entries/PHUB002293">2,4-Dihydroxy-1,4-benzoxazin-3-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2,4-dihydroxy-1,4-benzoxazin-3-one</td><td>PHUB002293</td><td>2351</td><td>181.037507709</td><td>C<sub>8</sub>H<sub>7</sub>NO<sub>4</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Hydroxamic acid metabolites</td><td>2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one; DIBOA; DIBOA</td><td class="structure"><img data-src="/structures/PHUB002293/image.svg" src="" /></td><td>COVOPZQGJGUPEY-UHFFFAOYSA-N</td><td>17359-54-5</td><td>2,4-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>181.147</td><td>1.16e+02 g/l</td><td>-0.08</td><td>-0.19</td><td>InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H</td><td>OC1OC2=CC=CC=C2N(O)C1=O</td><td>-4.9799263703913255</td><td>7.894716991699707</td><td></td><td><a href="/entries/PHUB002303">2,4-dihydroxy-1,4-benzoxazine-3(4H)-one glucoside</a> / <a href="/entries/PHUB002892">2,4-dihydroxy-1,4-benzoxazine-3(4H)-one glucuronide</a> / <a href="/entries/PHUB002893">2,4-dihydroxy-1,4-benzoxazine-3(4H)-one sulfate</a> / <a href="/entries/PHUB002304">2,4-dihydroxy-1,4-benzoxazine-3(4H)-one-hex-hex</a> / <a href="/entries/PHUB002293">2,4-Dihydroxy-1,4-benzoxazin-3-one</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002293">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2352"><td></td><td><a href="/entries/PHUB002294">2-hydroxy-1,4-benzoxazine-3(2H)-one glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one</td><td>PHUB002294</td><td>2352</td><td>327.095416511</td><td>C<sub>14</sub>H<sub>17</sub>NO<sub>8</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Blepharin; HBOA glucoside; HBOA-Glc</td><td class="structure"><img data-src="/structures/PHUB002294/image.svg" src="" /></td><td>PYQSUTLVBSTCSK-UHFFFAOYSA-N</td><td>27625-86-1</td><td>2-[(3-hydroxy-2H-1,4-benzoxazin-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>327.289</td><td>1.49e+01 g/l</td><td>-1.41</td><td>-1.34</td><td>InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20)</td><td>OCC1OC(OC2OC3=CC=CC=C3N=C2O)C(O)C(O)C1O</td><td>-1.9806946409408095</td><td>1.1698640095173665</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002294">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2353"><td></td><td><a href="/entries/PHUB002295">N-(2-Hydroxyphenyl)acetamide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>N-(2-hydroxyphenyl)acetamide</td><td>PHUB002295</td><td>2353</td><td>151.063328534</td><td>C<sub>8</sub>H<sub>9</sub>NO<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Hydroxamic acid metabolites</td><td>2-Acetamidophenol; 2-Acetaminophenol; HPAA; o-Hydroxyacetanilide</td><td class="structure"><img data-src="/structures/PHUB002295/image.svg" src="" /></td><td>ADVGKWPZRIDURE-UHFFFAOYSA-N</td><td>614-80-2</td><td>N-(2-hydroxyphenyl)ethanimidic acid</td><td>151.165</td><td>
81.06e+00 g/l</td><td>1.06</td><td>-2.15</td><td>InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)</td><td>CC(O)=NC1=CC=CC=C1O</td><td>-0.032141795613778945</td><td>5.440115190832708</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002295">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2354"><td></td><td><a href="/entries/PHUB002296">2-Hydroxy-N-(2-hydroxyphenyl)acetamide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxy-N-(2-hydroxyphenyl)acetamide</td><td>PHUB002296</td><td>2354</td><td>167.058243154</td><td>C<sub>8</sub>H<sub>9</sub>NO<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Hydroxamic acid metabolites</td><td>HHPAA</td><td class="structure"><img data-src="/structures/PHUB002296/image.svg" src="" /></td><td>OYHOCUAXXOWENX-UHFFFAOYSA-N</td><td>78958-15-3</td><td>2-hydroxy-N-(2-hydroxyphenyl)ethanimidic acid</td><td>167.164</td><td>2.19e+00 g/l</td><td>0.00</td><td>-1.88</td><td>InChI=1S/C8H9NO3/c10-5-8(12)9-6-3-1-2-4-7(6)11/h1-4,10-11H,5H2,(H,9,12)</td><td>OCC(O)=NC1=CC=CC=C1O</td><td>-0.9287233955783555</td><td>3.42066528657257</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002296">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2355"><td></td><td><a href="/entries/PHUB002297">2-Hydroxy-7-methoxy-1,4-benzoxazin-3-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxy-7-methoxy-4H-1,4-benzoxazin-3-one</td><td>PHUB002297</td><td>2355</td><td>195.053157774</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>4</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one; 2'-Hydroxyacetanilide; HMBOA; o-Hydroxyacetanilide</td><td class="structure"><img data-src="/structures/PHUB002297/image.svg" src="" /></td><td>NDEPTLCFICMYLH-UHFFFAOYSA-N</td><td>17359-53-4</td><td>7-methoxy-2H-1,4-benzoxazine-2,3-diol</td><td>195.174</td><td>2.20e+00 g/l</td><td>0.09</td><td>-1.95</td><td>InChI=1S/C9H9NO4/c1-13-5-2-3-6-7(4-5)14-9(12)8(11)10-6/h2-4,9,12H,1H3,(H,10,11)</td><td>COC1=CC2=C(C=C1)N=C(O)C(O)O2</td><td>-1.7183444815996398</td><td>1.0239276568870939</td><td></td><td><a href="/entries/PHUB002413">2-hydroxy-7-methoxy-4H-1,4-benzoxazin-3-one glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002297">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2356"><td></td><td><a href="/entries/PHUB002298">2-Hydroxy-7,8-dimethoxy-1,4-benzoxazin-3-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one</td><td>PHUB002298</td><td>2356</td><td>225.063722458</td><td>C<sub>10</sub>H<sub>11</sub>NO<sub>5</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>HM2BOA</td><td class="structure"><img data-src="/structures/PHUB002298/image.svg" src="" /></td><td>QGQDJHMEMSIGMY-UHFFFAOYSA-N</td><td></td><td>2-hydroxy-7,8-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>225.2</td><td>1.36e+01 g/l</td><td>0.55</td><td>-1.22</td><td>InChI=1S/C10H11NO5/c1-14-6-4-3-5-7(8(6)15-2)16-10(13)9(12)11-5/h3-4,10,13H,1-2H3,(H,11,12)</td><td>COC1=C(OC)C2=C(NC(=O)C(O)O2)C=C1</td><td>-4.5176028287809915</td><td>10.007188568237554</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002298">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2357"><td></td><td><a href="/entries/PHUB002299">2,4-dihydroxy-7,8-dimethoxy-1,4-benzoxazin-3-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2,4-dihydroxy-7,8-dimethoxy-1,4-benzoxazin-3-one</td><td>PHUB002299</td><td>2357</td><td>241.058637078</td><td>C<sub>10</sub>H<sub>11</sub>NO<sub>6</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one; DIM2BOA</td><td class="structure"><img data-src="/structures/PHUB002299/image.svg" src="" /></td><td>VBXNJRCPOOQJML-UHFFFAOYSA-N</td><td>60032-92-0</td><td>2,4-dihydroxy-7,8-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>241.199</td><td>7.93e+00 g/l</td><td>0.01</td><td>-1.48</td><td>InChI=1S/C10H11NO6/c1-15-6-4-3-5-7(8(6)16-2)17-10(13)9(12)11(5)14/h3-4,10,13-14H,1-2H3</td><td>COC1=C(OC)C2=C(C=C1)N(O)C(=O)C(O)O2</td><td>-4.5259106134688825</td><td>7.736364685962827</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002299">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2358"><td></td><td><a href="/entries/PHUB002300">2-Hydroxy-4-methoxy-1,4-benzoxazin-3-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-hydroxy-4-methoxy-1,4-benzoxazin-3-one</td><td>PHUB002300</td><td>2358</td><td>195.053157774</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>4</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Hydroxy-4-methoxy-2H-1,4-benzoxazin-3(4H)-one; 4-O-Me-DIBOA</td><td class="structure"><img data-src="/structures/PHUB002300/image.svg" src="" /></td><td>KFJJVOYMPOMOFD-UHFFFAOYSA-N</td><td></td><td>2-hydroxy-4-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>195.174</td><td>1.42e+02 g/l</td><td>0.27</td><td>-0.14</td><td>InChI=1S/C9H9NO4/c1-13-10-6-4-2-3-5-7(6)14-9(12)8(10)11/h2-5,9,12H,1H3</td><td>CON1C(=O)C(O)OC2=CC=CC=C12</td><td>-4.815433592164818</td><td>10.011534524688967</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002300">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2359"><td></td><td><a href="/entries/PHUB002301">2-Hydroxy-4,7-dimethoxy-1,4-benzoxazin-3-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-hydroxy-4,7-dimethoxy-1,4-benzoxazin-3-one</td><td>PHUB002301</td><td>2359</td><td>225.063722458</td><td>C<sub>10</sub>H<sub>11</sub>NO<sub>5</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one; HDMBOA</td><td class="structure"><img data-src="/structures/PHUB002301/image.svg" src="" /></td><td>XCSFLMDXLJMLBA-UHFFFAOYSA-N</td><td>149182-67-2</td><td>2-hydroxy-4,7-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>225.2</td><td>1.61e+01 g/l</td><td>0.35</td><td>-1.15</td><td>InChI=1S/C10H11NO5/c1-14-6-3-4-7-8(5-6)16-10(13)9(12)11(7)15-2/h3-5,10,13H,1-2H3</td><td>CON1C(=O)C(O)OC2=C1C=CC(OC)=C2</td><td>-4.529053443050746</td><td>9.995946563932062</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002301">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2360"><td></td><td><a href="/entries/PHUB002302">2-Hydroxy-4,7,8-trimethoxy-1,4-benzoxazin-3-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-hydroxy-4,7,8-trimethoxy-1,4-benzoxazin-3-one</td><td>PHUB002302</td><td>2360</td><td>255.074287143</td><td>C<sub>11</sub>H<sub>13</sub>NO<sub>6</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>HDM2BOA</td><td class="structure"><img data-src="/structures/PHUB002302/image.svg" src="" /></td><td>FALCDMBGQJJEGE-UHFFFAOYSA-N</td><td></td><td>2-hydroxy-4,7,8-trimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>255.226</td><td>8.38e+00 g/l</td><td>0.64</td><td>-1.48</td><td>InChI=1S/C11H13NO6/c1-15-7-5-4-6-8(9(7)16-2)18-11(14)10(13)12(6)17-3/h4-5,11,14H,1-3H3</td><td>CON1C(=O)C(O)OC2=C1C=CC(OC)=C2OC</td><td>-4.432865365609263</td><td>9.957671409225576</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002302">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2361"><td></td><td><a href="/entries/PHUB002303">2,4-dihydroxy-1,4-benzoxazine-3(4H)-one glucoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one</td><td>PHUB002303</td><td>2361</td><td>343.090331131</td><td>C<sub>14</sub>H<sub>17</sub>NO<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Hydroxamic acid metabolites</td><td>2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside; DIBOA glucoside; DIBOA-beta-D-glucoside</td><td class="structure"><img data-src="/structures/PHUB002303/image.svg" src="" /></td><td>OUSLYTBGQGKTME-UHFFFAOYSA-N</td><td></td><td>4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>343.288</td><td>3.46e+01 g/l</td><td>-1.23</td><td>-1.00</td><td>InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2</td><td>OCC1OC(OC2OC3=CC=CC=C3N(O)C2=O)C(O)C(O)C1O</td><td>-2.9810849224353024</td><td>7.897427291522071</td><td></td><td><a href="/entries/PHUB002293">2,4-Dihydroxy-1,4-benzoxazin-3-one</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002303">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2362"><td></td><td><a href="/entries/PHUB002304">2,4-dihydroxy-1,4-benzoxazine-3(4H)-one-hex-hex</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002304</td><td>2362</td><td>505.143154553</td><td>C<sub>20</sub>H<sub>27</sub>NO<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Hydroxamic acid metabolites</td><td>DIBOA-dihexoside; DIBOA-hex-hex</td><td class="structure"><img data-src="/structures/PHUB002304/image.svg" src="" /></td><td>XCAANHSYSCAIDI-UHFFFAOYSA-N</td><td></td><td>2-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>505.429</td><td>5.26e+01 g/l</td><td>-1.70</td><td>-0.98</td><td>InChI=1S/C20H27NO14/c22-5-9-11(24)12(25)14(27)18(32-9)34-16-10(6-23)33-19(15(28)13(16)26)35-20-17(29)21(30)7-3-1-2-4-8(7)31-20/h1-4,9-16,18-20,22-28,30H,5-6H2</td><td>OCC1OC(OC2C(O)C(O)C(OC3OC4=CC=CC=C4N(O)C3=O)OC2CO)C(O)C(O)C1O</td><td>-2.9810835652988272</td><td>7.8974090123473415</td><td></td><td><a href="/entries/PHUB002293">2,4-Dihydroxy-1,4-benzoxazin-3-one</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002304">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2363"><td></td><td><a href="/entries/PHUB002305">2-hydroxy-7-methoxy-1,4-benzoxazine-3(2H)-one glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>7-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one</td><td>PHUB002305</td><td>2363</td><td>357.105981196</td><td>C<sub>15</sub>H<sub>19</sub>NO<sub>9</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Gmbo; 2-O-Glucosyl-7-methoxy-1,4(2H)-benzoxazin-3-one; HMBOA beta-D-glucoside; HMBOA glucoside; HMBOA-Glc</td><td class="structure"><img data-src="/structures/PHUB002305/image.svg" src="" /></td><td>PMBZSEOAOIYRMW-UHFFFAOYSA-N</td><td>17622-26-3</td><td>2-[(3-hydroxy-7-methoxy-2H-1,4-benzoxazin-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol</td><td>357.315</td><td>1.12e+01 g/l</td><td>-1.19</td><td>-1.50</td><td>InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)</td><td>COC1=CC2=C(C=C1)N=C(O)C(OC1OC(CO)C(O)C(O)C1O)O2</td><td>-1.6566517998713617</td><td>1.1022345845094568</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002305">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2364"><td></td><td><a href="/entries/PHUB002306">2,4-dihydroxy-7-methoxy-1,4-benzoxazine-3(4H)-one glucoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-hydroxy-7-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one</td><td>PHUB002306</td><td>2364</td><td>373.100895816</td><td>C<sub>15</sub>H<sub>19</sub>NO<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Hydroxamic acid metabolites</td><td>DIMBOA glucoside; DIMBOA-beta-D-glucoside; DIMBOA-Glc</td><td class="structure"><img data-src="/structures/PHUB002306/image.svg" src="" /></td><td>WTGXAWKVZMQEDA-UHFFFAOYSA-N</td><td>18607-79-9</td><td>4-hydroxy-7-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>373.314</td><td>1.84e+01 g/l</td><td>-1.16</td><td>-1.31</td><td>InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3</td><td>COC1=CC2=C(C=C1)N(O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)O2</td><td>-2.9810849224353024</td><td>7.850266350203712</td><td></td><td><a href="/entries/PHUB002290">2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002306">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2365"><td></td><td><a href="/entries/PHUB002307">DIM2BOA glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-hydroxy-7,8-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one</td><td>PHUB002307</td><td>2365</td><td>403.1114605</td><td>C<sub>16</sub>H<sub>21</sub>NO<sub>11</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(2,4-dihydroxy-7,8-dimethoxy-1,4-benzoxazin-3-one)-b-D-glucopyranose; DIM2BOA-beta-D-glucoside; DIM2BOA-Glc</td><td class="structure"><img data-src="/structures/PHUB002307/image.svg" src="" /></td><td>CFUFRWCJGZYVHK-UHFFFAOYSA-N</td><td>40246-08-0</td><td>4-hydroxy-7,8-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>403.34</td><td>1.15e+01 g/l</td><td>-1.08</td><td>-1.55</td><td>InChI=1S/C16H21NO11/c1-24-7-4-3-6-12(13(7)25-2)27-16(14(22)17(6)23)28-15-11(21)10(20)9(19)8(5-18)26-15/h3-4,8-11,15-16,18-21,23H,5H2,1-2H3</td><td>COC1=C(OC)C2=C(C=C1)N(O)C(=O)C(OC1OC(CO)C(O)C(O)C1O)O2</td><td>-2.981084922435354</td><td>7.738384769746861</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002307">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2366"><td></td><td><a href="/entries/PHUB002308">HDMBOA glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4,7-dimethoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one</td><td>PHUB002308</td><td>2366</td><td>387.11654588</td><td>C<sub>16</sub>H<sub>21</sub>NO<sub>10</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-o; HDMBOA + O-Hex; HDMBOA-Glc</td><td class="structure"><img data-src="/structures/PHUB002308/image.svg" src="" /></td><td>UOASSFRPBORTCT-UHFFFAOYSA-N</td><td>113565-33-6</td><td>4,7-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one</td><td>387.341</td><td>1.82e+01 g/l</td><td>-0.53</td><td>-1.33</td><td>InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3</td><td>CON1C(=O)C(OC2OC(CO)C(O)C(O)C2O)OC2=C1C=CC(OC)=C2</td><td>-2.981084922435305</td><td>12.206385274237205</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002308">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2367"><td></td><td><a href="/entries/PHUB002309">2-hydroxy-1,4-benzoxazine-3(2H)-one-glc-hex</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002309</td><td>2367</td><td>489.148244</td><td>C<sub>20</sub>H<sub>27</sub>NO<sub>13</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>HBOA dihexoside; HBOA-glc-hex</td><td class="structure"><img data-src="/structures/PHUB002309/image.svg" src="" /></td><td></td><td></td><td></td><td>489.4282</td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002309">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2368"><td></td><td><a href="/entries/PHUB002310">4â²-methoxy-(â)-epicatechin-7-β-D-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4â²-methoxy-(â)-epicatechin-7-β-D-glucuronide</td><td>PHUB002310</td><td>2368</td><td>480.126776213</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002310/image.svg" src="" /></td><td>CJPIUMOCTBARLM-ZRRVXMDUSA-N</td><td></td><td></td><td>480.422</td><td></td><td></td><td></td><td>InChI=1S/C22H24O12/c1-31-14-3-2-8(4-12(14)24)19-13(25)7-10-11(23)5-9(6-15(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1</td><td>[H][C@@]1(O)CC2=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000262">(-)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002310">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2371"><td></td><td><a href="/entries/PHUB002313">(+)-epicatechin-3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(+)-epicatechin-3â²-sulfate</td><td>PHUB002313</td><td>2371</td><td>370.035853205</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>9</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavan-3-ols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002313/image.svg" src="" /></td><td>VBSMBNMUYITMLB-WFASDCNBSA-N</td><td></td><td></td><td>370.33</td><td></td><td></td><td></td><td>InChI=1S/C15H14O9S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m0/s1</td><td>O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002207">(+)-Epicatechin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002313">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2372"><td></td><td><a href="/entries/PHUB002314">Furaneol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2,5-dimethyl-4-hydroxy-3[2H] Furanone glucuronide</td><td>PHUB002314</td><td>2372</td><td>304.079432095</td><td>C<sub>12</sub>H<sub>16</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one glucuronide; Furaneol glucuronide</td><td class="structure"><img data-src="/structures/PHUB002314/image.svg" src="" /></td><td>WNRZVGSXDPFRFD-PRWVOHHWSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-[(2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>304.251</td><td>7.25e+01 g/l</td><td>-1.22</td><td>-0.62</td><td>InChI=1S/C12H16O9/c1-3-5(13)9(4(2)19-3)20-12-8(16)6(14)7(15)10(21-12)11(17)18/h3,6-8,10,12,14-16H,1-2H3,(H,17,18)/t3?,6-,7-,8+,10-,12+/m0/s1</td><td>CC1OC(C)=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C1=O</td><td>-3.6868294424405277</td><td>3.3461194979240383</td><td></td><td><a href="/entries/PHUB002315">Furaneol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002314">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2373"><td></td><td><a href="/entries/PHUB002315">Furaneol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>4-hydroxy-2,5-dimethylfuran-3-one</td><td>PHUB002315</td><td>2373</td><td>128.047344118</td><td>C<sub>6</sub>H<sub>8</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(±)-Furaneol; 2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran; 2,5-Dimethyl-4-hydroxy-3(2H)-furanone; 4-HDMF; 4-hydroxy-2,5-dimethyl-3(2H)-furanone; 4-hydroxy-2,5-dimethyl-furan-3(2H)-one; Alletone; Dimethylhydroxy furanone; DMHF</td><td class="structure"><img data-src="/structures/PHUB002315/image.svg" src="" /></td><td>INAXVXBDKKUCGI-UHFFFAOYSA-N</td><td>3658-77-3</td><td>4-hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one</td><td>128.127</td><td>4.46e+02 g/l</td><td>-0.33</td><td>0.54</td><td>InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3</td><td>CC1OC(C)=C(O)C1=O</td><td>-4.325980311633707</td><td>7.684746604813384</td><td><a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB002314">Furaneol glucuronide</a> / <a href="/entries/PHUB002337">Furaneol sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002315">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2374"><td></td><td><a href="/entries/PHUB002316">11beta,13-dihydrolactucopicrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002316</td><td>2374</td><td>412.152203113</td><td>C<sub>23</sub>H<sub>24</sub>O<sub>7</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>11,13-dihydrolactucopicrin; 11β,13-dihydrolactucopicrin</td><td class="structure"><img data-src="/structures/PHUB002316/image.svg" src="" /></td><td>ICJJPTZLMALYBH-ZUQDHHQASA-N</td><td>125519-47-3</td><td>(3S,3aR,4S,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate</td><td>412.438</td><td>4.83e-02 g/l</td><td>1.86</td><td>-3.93</td><td>InChI=1S/C23H24O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,12,17,20-22,24-25H,7-8,10H2,1-2H3/t12-,17-,20+,21-,22-/m0/s1</td><td>[H][C@]12C(CO)=CC(=O)C1=C(C)C[C@H](OC(=O)Cc1ccc(O)cc1)[C@@]1([H])[C@H](C)C(=O)O[C@]21[H]</td><td>-2.7605588287085547</td><td>9.496422208076886</td><td><a href="/food_sources/89">Lettuce</a></td><td><a href="/entries/PHUB002284">Dihydrolactucopicrin-glucuronide</a> / <a href="/entries/PHUB002421">Tetrahydrolactucopicrin</a> / <a href="/entries/PHUB002422">Tetrahydrolactucopicrin glucuronide</a> / <a href="/entries/PHUB002283">Dihydrolactucopicrin-sulfate</a> / <a href="/entries/PHUB002316">11beta,13-dihydrolactucopicrin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002316">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2375"><td></td><td><a href="/entries/PHUB002317">5-Eicosylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-Icosylbenzene-1,3-diol</td><td>PHUB002317</td><td>2375</td><td>390.349780721</td><td>C<sub>26</sub>H<sub>46</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3-dihydroxy-5-eicosylbenzene; 5-Eicosylresorcinol; 5-Icosylresorcinol; Alkylresorcinol C20</td><td class="structure"><img data-src="/structures/PHUB002317/image.svg" src="" /></td><td>JCDQIGVVGKBORW-UHFFFAOYSA-N</td><td>64645-61-0</td><td>5-icosylbenzene-1,3-diol</td><td>390.652</td><td>6.36e-05 g/l</td><td>9.58</td><td>-6.79</td><td>InChI=1S/C26H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23-26(28)22-24/h21-23,27-28H,2-20H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/253">Quinoa</a></td><td><a href="/entries/PHUB002317">5-Eicosylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002317">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2376"><td></td><td><a href="/entries/PHUB002318">5-Octadecylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002318</td><td>2376</td><td>362.318480592</td><td>C<sub>24</sub>H<sub>42</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>5-n-octadecyl-resorcinol; 5-Octadecylresorcinol</td><td class="structure"><img data-src="/structures/PHUB002318/image.svg" src="" /></td><td>DIYZHCBFGMXRHF-UHFFFAOYSA-N</td><td></td><td>5-octadecylbenzene-1,3-diol</td><td>362.598</td><td>1.20e-04 g/l</td><td>9.08</td><td>-6.48</td><td>InChI=1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(25)21-24(26)20-22/h19-21,25-26H,2-18H2,1H3</td><td>CCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/253">Quinoa</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002318">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2377"><td></td><td><a href="/entries/PHUB002319">Iberin N-acetyl-cysteine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2-acetamido-3-(3-methylsulfinylpropylcarbamothioylsulfanyl)propanoic acid</td><td>PHUB002319</td><td>2377</td><td>326.04287059</td><td>C<sub>10</sub>H<sub>18</sub>N<sub>2</sub>O<sub>4</sub>S<sub>3</sub></td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002319/image.svg" src="" /></td><td>RBVJIAJZFANPKT-LQABBHMDSA-N</td><td></td><td>(2R)-2-[(1-hydroxyethylidene)amino]-3-{[(3-methanesulfinylpropyl)thio(carbonoimidyl)]sulfanyl}propanoic acid</td><td>326.44</td><td>3.47e-01 g/l</td><td>0.76</td><td>-2.97</td><td>InChI=1S/C10H18N2O4S3/c1-7(13)12-8(9(14)15)6-18-10(17)11-4-3-5-19(2)16/h8H,3-6H2,1-2H3,(H,11,17)(H,12,13)(H,14,15)/t8-,19?/m0/s1</td><td>[H][C@@](CSC(S)=NCCCS(C)=O)(N=C(C)O)C(O)=O</td><td>4.426644345652329</td><td>3.37428915033789</td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/349">Cabbage, red</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/42">Common cabbage</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002319">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2378"><td></td><td><a href="/entries/PHUB002320">Indole-3-carbinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>1H-indol-3-ylmethanol</td><td>PHUB002320</td><td>2378</td><td>147.068413914</td><td>C<sub>9</sub>H<sub>9</sub>NO</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1H-indol-3-ylmethanol; 3-hydroxymethylindole; 3-indolylcarbinol; indole-3-methanol</td><td class="structure"><img data-src="/structures/PHUB002320/image.svg" src="" /></td><td>IVYPNXXAYMYVSP-UHFFFAOYSA-N</td><td>700-06-1</td><td>(1H-indol-3-yl)methanol</td><td>147.177</td><td>3.75e+00 g/l</td><td>1.66</td><td>-1.59</td><td>InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2</td><td>OCC1=CNC2=CC=CC=C12</td><td>-2.7165363605434028</td><td>15.095988794293698</td><td><a href="/food_sources/19">Broccoli</a> / <a href="/food_sources/27">Cauliflower</a> / <a href="/food_sources/42">Common cabbage</a></td><td><a href="/entries/PHUB001902">3,3â²-Diindolylmethane</a> / <a href="/entries/PHUB002595">Ascorbigen</a> / <a href="/entries/PHUB002950">Indole-3-carboxylic acid</a> / <a href="/entries/PHUB002948">Indole-3-carboxaldehyde</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002320">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2379"><td></td><td><a href="/entries/PHUB002321">Lactuside A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3S,3aS,6E,9S,10E,11aS)-3,10-dimethyl-2-oxo-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde</td><td>PHUB002321</td><td>2379</td><td>426.188982546</td><td>C<sub>21</sub>H<sub>30</sub>O<sub>9</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002321/image.svg" src="" /></td><td>TZXUUTQEICXCOH-RYGBUWAXSA-N</td><td></td><td>(3S,3aS,9S,11aS)-3,10-dimethyl-2-oxo-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carbaldehyde</td><td>426.462</td><td>2.72e+00 g/l</td><td>-0.17</td><td>-2.20</td><td>InChI=1S/C21H30O9/c1-10-7-15-13(11(2)20(27)28-15)5-3-12(8-22)4-6-14(10)29-21-19(26)18(25)17(24)16(9-23)30-21/h4,7-8,11,13-19,21,23-26H,3,5-6,9H2,1-2H3/b10-7+,12-4+/t11-,13-,14-,15+,16+,17+,18-,19+,21+/m0/s1</td><td>[H]\C1=C(\CC[C@@]2([H])[C@]([H])(C)C(=O)O[C@]2([H])\C([H])=C(C)\[C@]([H])(C1)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C=O</td><td>-2.9810836857239975</td><td>12.210081691261337</td><td><a href="/food_sources/89">Lettuce</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002321">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2380"><td></td><td><a href="/entries/PHUB002322">Lettucenin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>6-methyl-9-methylidene-2-oxo-7,8-dihydroazuleno[4,5-b]uran-3-carbaldehyde </td><td>PHUB002322</td><td>2380</td><td>240.078644246</td><td>C<sub>15</sub>H<sub>12</sub>O<sub>3</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,7,8,9-Tetrahydro-6-methyl-9-methylene-2-oxoazuleno[4,5-b]furan-3-carbaldehyde; 6-methyl-9-methylene-2-oxo-2,7,8,9-tetrahydroazuleno[4,5-b]furan-3-carbaldehyde</td><td class="structure"><img data-src="/structures/PHUB002322/image.svg" src="" /></td><td>PATCUDSVUMFCMB-UHFFFAOYSA-N</td><td>97915-46-3</td><td>6-methyl-9-methylidene-2-oxo-2H,7H,8H,9H-azuleno[4,5-b]furan-3-carbaldehyde</td><td>240.258</td><td>2.99e-01 g/l</td><td>2.60</td><td>-2.91</td><td>InChI=1S/C15H12O3/c1-8-3-6-11-12(7-16)15(17)18-14(11)13-9(2)4-5-10(8)13/h3,6-7H,2,4-5H2,1H3</td><td>CC1=C2CCC(=C)C2=C2OC(=O)C(C=O)=C2C=C1</td><td>-7.202021137866186</td><td></td><td><a href="/food_sources/89">Lettuce</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002322">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2381"><td></td><td><a href="/entries/PHUB002323">Malic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-hydroxybutanedioic acid </td><td>PHUB002323</td><td>2381</td><td>134.021523293</td><td>C<sub>4</sub>H<sub>6</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Hydroxybutanedioate; 2-Hydroxybutanedioic acid; 2-Hydroxyethane-1,2-dicarboxylic acid; 2-Hydroxysuccinic acid; DL-malic acid; hydroxybutanedioic acid; hydroxysuccinic acid; malate; Pomalus acid; α-hydroxysuccinic acid</td><td class="structure"><img data-src="/structures/PHUB002323/image.svg" src="" /></td><td>BJEPYKJPYRNKOW-UHFFFAOYSA-N</td><td>6915-15-7, 617-48-1, 143435-96-5</td><td>2-hydroxybutanedioic acid</td><td>134.087</td><td>2.18e+02 g/l</td><td>-0.87</td><td>0.21</td><td>InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)</td><td>OC(CC(O)=O)C(O)=O</td><td>-3.9130352388514544</td><td>3.1983571934669475</td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/294">White wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002323">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2383"><td></td><td><a href="/entries/PHUB002325">N-caproylhistamine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002325</td><td>2383</td><td>209.152812244</td><td>C<sub>11</sub>H<sub>19</sub>N<sub>3</sub>O</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>HmC6</td><td class="structure"><img data-src="/structures/PHUB002325/image.svg" src="" /></td><td>POWCEFXIBWGZIW-UHFFFAOYSA-N</td><td></td><td>N-[2-(1H-imidazol-4-yl)ethyl]hexanamide</td><td>209.293</td><td></td><td></td><td></td><td>InChI=1S/C11H19N3O/c1-2-3-4-5-11(15)13-7-6-10-8-12-9-14-10/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15)</td><td>CCCCCC(=O)NCCC1=CNC=N1</td><td>6.55001470897996</td><td>13.101243954578665</td><td><a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB002357">N-caproylhistamine glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002325">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2384"><td></td><td><a href="/entries/PHUB002326">N-caproylhistidinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002326</td><td>2384</td><td>239.163376928</td><td>C<sub>12</sub>H<sub>21</sub>N<sub>3</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>HlC6</td><td class="structure"><img data-src="/structures/PHUB002326/image.svg" src="" /></td><td>LIBFXSSDLJLEFT-NSHDSACASA-N</td><td></td><td></td><td>239.319</td><td></td><td></td><td></td><td>InChI=1S/C12H21N3O2/c1-2-3-4-5-12(17)15-11(8-16)6-10-7-13-9-14-10/h7,9,11,16H,2-6,8H2,1H3,(H,13,14)(H,15,17)/t11-/m0/s1</td><td>CCCCCC(=O)N[C@H](CO)CC1=CNC=N1</td><td></td><td></td><td><a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB002358">N-caproylhistidinol glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002326">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2385"><td></td><td><a href="/entries/PHUB002327">N-caprylhistamine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002327</td><td>2385</td><td>237.184112373</td><td>C<sub>13</sub>H<sub>23</sub>N<sub>3</sub>O</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>HmC8</td><td class="structure"><img data-src="/structures/PHUB002327/image.svg" src="" /></td><td>XNRGJMFNTYWHNR-UHFFFAOYSA-N</td><td></td><td>N-[2-(1H-imidazol-4-yl)ethyl]octanamide</td><td>237.347</td><td></td><td></td><td></td><td>InChI=1S/C13H23N3O/c1-2-3-4-5-6-7-13(17)15-9-8-12-10-14-11-16-12/h10-11H,2-9H2,1H3,(H,14,16)(H,15,17)</td><td>CCCCCCCC(=O)NCCC1=CNC=N1</td><td>6.5500147091912035</td><td>13.101399781181621</td><td><a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB002375">N-caprylhistamine glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002327">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2386"><td></td><td><a href="/entries/PHUB002328">N-caprylhistidinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002328</td><td>2386</td><td>267.194677057</td><td>C<sub>14</sub>H<sub>25</sub>N<sub>3</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>HlC8</td><td class="structure"><img data-src="/structures/PHUB002328/image.svg" src="" /></td><td>YVFAECCVQVLUSI-ZDUSSCGKSA-N</td><td></td><td>N-[(2S)-1-hydroxy-3-(1H-imidazol-4-yl)propan-2-yl]octanamide</td><td>267.373</td><td></td><td></td><td></td><td>InChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-14(19)17-13(10-18)8-12-9-15-11-16-12/h9,11,13,18H,2-8,10H2,1H3,(H,15,16)(H,17,19)/t13-/m0/s1</td><td>CCCCCCCC(=O)N[C@H](CO)CC1=CNC=N1</td><td>6.542514263562201</td><td>13.091713689817887</td><td><a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB002369">N-caprylhistidinol glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002328">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2387"><td></td><td><a href="/entries/PHUB002329">Rhamnitol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(2S,3S,4S,5S)-hexane-1,2,3,4,5-pentol</td><td>PHUB002329</td><td>2387</td><td>166.084123551</td><td>C<sub>6</sub>H<sub>14</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-deoxy-L-mannitol; 6-Deoxy-L-mannitol; L-RHAMNITOL</td><td class="structure"><img data-src="/structures/PHUB002329/image.svg" src="" /></td><td>SKCKOFZKJLZSFA-BXKVDMCESA-N</td><td>488-28-8</td><td>(2S,3S,4S,5S)-hexane-1,2,3,4,5-pentol</td><td>166.173</td><td>4.76e+02 g/l</td><td>-2.25</td><td>0.46</td><td>InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1</td><td>[H][C@@](C)(O)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)CO</td><td>-2.9742106409022417</td><td>12.69525446645461</td><td><a href="/food_sources/7">Apple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002329">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2388"><td></td><td><a href="/entries/PHUB002330">Shikimate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid</td><td>PHUB002330</td><td>2388</td><td>174.052823422</td><td>C<sub>7</sub>H<sub>10</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(-)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid; (-)-Shikimic acid; (3R,4S,5R)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid; 3,4,5-Trihydroxy-1-cyclohexenecarboxylate; 3a,4a,5b-Trihydroxy-1-cyclohexene-1-carboxylate; 3alpha,4alpha,5beta-Trihydroxy-1-cyclohexene-1-carboxylate</td><td class="structure"><img data-src="/structures/PHUB002330/image.svg" src="" /></td><td>JXOHGGNKMLTUBP-HSUXUTPPSA-N</td><td>138-59-0</td><td>(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid</td><td>174.152</td><td>2.06e+02 g/l</td><td>-1.70</td><td>0.07</td><td>InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1</td><td>O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O</td><td>-3.224778959977734</td><td>3.911274828419261</td><td><a href="/food_sources/85">Kiwi</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002330">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2389"><td></td><td><a href="/entries/PHUB002331">Synephrine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002331</td><td>2389</td><td>167.094628663</td><td>C<sub>9</sub>H<sub>13</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Miscellaneous alkaloid metabolites</td><td>Analeptin; Oxedrine; p-Synephrine; Parasympatol; Sympaethamine; Synefrine</td><td class="structure"><img data-src="/structures/PHUB002331/image.svg" src="" /></td><td>YRCWQPVGYLYSOX-UHFFFAOYSA-N</td><td>94-07-5</td><td>4-[1-hydroxy-2-(methylamino)ethyl]phenol</td><td>167.208</td><td>1.86e+01 g/l</td><td>-0.62</td><td>-0.95</td><td>InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3</td><td>CNCC(O)C1=CC=C(O)C=C1</td><td>9.14815345799689</td><td>9.755471273972516</td><td><a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/103">Orange juice</a> / <a href="/food_sources/149">Sweet orange</a></td><td><a href="/entries/PHUB002277">Synephrine sulfate</a> / <a href="/entries/PHUB002430">Synephrine glucuronide</a> / <a href="/entries/PHUB002431">Synephrine hydrogen sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002331">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2390"><td></td><td><a href="/entries/PHUB002332">Tartaric acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2,3-dihydroxybutanedioic acid</td><td>PHUB002332</td><td>2390</td><td>150.016437913</td><td>C<sub>4</sub>H<sub>6</sub>O<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,3-Dihydroxysuccinic acid; Racemic acid; tartrate; Threaric acid; Uvic acid</td><td class="structure"><img data-src="/structures/PHUB002332/image.svg" src="" /></td><td>FEWJPZIEWOKRBE-UHFFFAOYSA-N</td><td>526-83-0</td><td>2,3-dihydroxybutanedioic acid</td><td>150.086</td><td>1.61e+02 g/l</td><td>-1.27</td><td>0.03</td><td>InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)</td><td>OC(C(O)C(O)=O)C(O)=O</td><td>-4.330574673439461</td><td>2.719041003817166</td><td><a href="/food_sources/167">Grapes</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002332">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2391"><td></td><td><a href="/entries/PHUB002333">Tartrate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2,3-dihydroxybutanedioate</td><td>PHUB002333</td><td>2391</td><td>148.001885009</td><td>C<sub>4</sub>H<sub>4</sub>O<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(+)-(2R,3R)-Tartaric acid; (+)-(R,R)-Tartarate; (+)-L-Tartarate; (1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid</td><td class="structure"><img data-src="/structures/PHUB002333/image.svg" src="" /></td><td>FEWJPZIEWOKRBE-UHFFFAOYSA-L</td><td></td><td>2,3-dihydroxybutanedioate</td><td>148.071</td><td>7.86e+02 g/l</td><td>-1.25</td><td>0.63</td><td>InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2</td><td>OC(C(O)C([O-])=O)C([O-])=O</td><td>-4.330574673439461</td><td>2.719041003817166</td><td><a href="/food_sources/306">Red wine grape</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002333">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2392"><td></td><td><a href="/entries/PHUB002334">Theanine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid</td><td>PHUB002334</td><td>2392</td><td>174.100442319</td><td>C<sub>7</sub>H<sub>14</sub>N<sub>2</sub>O<sub>3</sub></td><td>N-containing compounds</td><td>Amino acids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(+)-Theanine; L-Theanine; N-Ethyl-L-glutamine; N-gamma-Ethyl-L-glutamine; Suntheanine</td><td class="structure"><img data-src="/structures/PHUB002334/image.svg" src="" /></td><td>DATAGRPVKZEWHA-YFKPBYRVSA-N</td><td>3081-61-6</td><td>(2S)-2-amino-4-(ethyl-C-hydroxycarbonimidoyl)butanoic acid</td><td>174.2</td><td>4.25e+00 g/l</td><td>-2.52</td><td>-1.61</td><td>InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1</td><td>[H][C@](N)(CCC(O)=NCC)C(O)=O</td><td>9.53669340703791</td><td>2.1544537640213153</td><td><a href="/food_sources/297">Black tea</a> / <a href="/food_sources/78">Green bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002334">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2393"><td></td><td><a href="/entries/PHUB002335">Xylose</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3R,4S,5R)-oxane-2,3,4,5-tetrol</td><td>PHUB002335</td><td>2393</td><td>150.052823422</td><td>C<sub>5</sub>H<sub>10</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>D-xylopentose; D-Xylopyranose</td><td class="structure"><img data-src="/structures/PHUB002335/image.svg" src="" /></td><td>SRBFZHDQGSBBOR-IOVATXLUSA-N</td><td>10257-31-5</td><td>(3R,4S,5R)-oxane-2,3,4,5-tetrol</td><td>150.13</td><td>1.22e+03 g/l</td><td>-2.57</td><td>0.91</td><td>InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1</td><td>[H][C@@]1(O)COC([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.526571835018269</td><td>11.31062424774241</td><td><a href="/food_sources/7">Apple</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002335">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2394"><td></td><td><a href="/entries/PHUB002336">1,3,7-Trimethyluric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,3,7-trimethyl-9H-purine-2,6,8-trione</td><td>PHUB002336</td><td>2394</td><td>210.075290198</td><td>C<sub>8</sub>H<sub>10</sub>N<sub>4</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>1,3,7-trimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione; 1,3,7-trimethylate; 8-oxy-caffeine</td><td class="structure"><img data-src="/structures/PHUB002336/image.svg" src="" /></td><td>BYXCFUMGEBZDDI-UHFFFAOYSA-N</td><td>5415-44-1</td><td>1,3,7-trimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione</td><td>210.193</td><td>2.83e+01 g/l</td><td>-0.49</td><td>-0.87</td><td>InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)</td><td>CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C</td><td>-5.670348659606715</td><td>8.463980111537293</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002336">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2396"><td></td><td><a href="/entries/PHUB002338">1-cyano-2,3-epithiopropane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2-(thiiran-2-yl)acetonitrile</td><td>PHUB002338</td><td>2396</td><td>
899.014270339</td><td>C<sub>4</sub>H<sub>5</sub>NS</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(+-)-ThIIraneacetonitrile; 1-Cyano-2,3-epithiopropane; 3,4-Epithiobutanenitrile; CETP; Thiiraneacetonitrile</td><td class="structure"><img data-src="/structures/PHUB002338/image.svg" src="" /></td><td>BKIZJNMVTRYGSW-UHFFFAOYSA-N</td><td>58130-93-1</td><td>2-(thiiran-2-yl)acetonitrile</td><td>99.15</td><td>1.14e+01 g/l</td><td>0.70</td><td>-0.94</td><td>InChI=1S/C4H5NS/c5-2-1-4-3-6-4/h4H,1,3H2</td><td>N#CCC1CS1</td><td></td><td></td><td><a href="/food_sources/42">Common cabbage</a></td><td><a href="/entries/PHUB002339">N-acetyl-S-(3-cyano-2-(methylsulfanyl)propyl-cysteine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002338">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2397"><td></td><td><a href="/entries/PHUB002339">N-acetyl-S-(3-cyano-2-(methylsulfanyl)propyl-cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002339</td><td>2397</td><td>310.04795597</td><td>C<sub>10</sub>H<sub>18</sub>N<sub>2</sub>O<sub>3</sub>S<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002339/image.svg" src="" /></td><td>YFSVKZLSYUUTEW-QMMMGPOBSA-N</td><td></td><td>(2R)-2-[(1-hydroxyethylidene)amino]-3-({[3-(methylsulfanyl)propyl]thio(carbonoimidyl)}sulfanyl)propanoic acid</td><td>310.45</td><td>7.06e-02 g/l</td><td>1.38</td><td>-3.64</td><td>InChI=1S/C10H18N2O3S3/c1-7(13)12-8(9(14)15)6-18-10(16)11-4-3-5-17-2/h8H,3-6H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)/t8-/m0/s1</td><td>[H][C@@](CSC(S)=NCCCSC)(N=C(C)O)C(O)=O</td><td>4.736021765842465</td><td>3.627418178576798</td><td></td><td><a href="/entries/PHUB002338">1-cyano-2,3-epithiopropane</a> / <a href="/entries/PHUB002964">Epithionitrile</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002339">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2398"><td></td><td><a href="/entries/PHUB002340">1-methylxanthine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1-methyl-3,7-dihydropurine-2,6-dione</td><td>PHUB002340</td><td>2398</td><td>166.049075449</td><td>C<sub>6</sub>H<sub>6</sub>N<sub>4</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>1-Methyl-1H-purine-2,6(3H,7H)-dione; 2-hydroxy-1-methyl-6,9-dihydro-1H-purin-6-one</td><td class="structure"><img data-src="/structures/PHUB002340/image.svg" src="" /></td><td>MVOYJPOZRLFTCP-UHFFFAOYSA-N</td><td>6136-37-4</td><td>1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione</td><td>166.14</td><td>1.17e+01 g/l</td><td>-0.46</td><td>-1.15</td><td>InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)</td><td>CN1C(=O)NC2=C(NC=N2)C1=O</td><td>-0.719735656493811</td><td>7.9132640686813565</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB000790">Theobromine</a> / <a href="/entries/PHUB000791">Theophylline</a> / <a href="/entries/PHUB002593">Cocoa purines</a> / <a href="/entries/PHUB002594">Coffee purines</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002340">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2400"><td></td><td><a href="/entries/PHUB002342">3-methylhistidine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid</td><td>PHUB002342</td><td>2400</td><td>169.085126606</td><td>C<sub>7</sub>H<sub>11</sub>N<sub>3</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(S)-2-Amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid; 3-Methyl-L-histidine; H-His(3-Me)-OH; L-3-Methylhistidine</td><td class="structure"><img data-src="/structures/PHUB002342/image.svg" src="" /></td><td>JDHILDINMRGULE-LURJTMIESA-N</td><td>368-16-1</td><td>(2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid</td><td>169.184</td><td>6.93e+00 g/l</td><td>-2.89</td><td>-1.39</td><td>InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1</td><td>[H][C@](N)(CC1=CN=CN1C)C(O)=O</td><td>9.406155138702497</td><td>1.9164297170788513</td><td></td><td><a href="/entries/PHUB002343">L-Histidine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002342">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2401"><td></td><td><a href="/entries/PHUB002343">L-Histidine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid</td><td>PHUB002343</td><td>2401</td><td>155.069476542</td><td>C<sub>6</sub>H<sub>9</sub>N<sub>3</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Amino acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(S)-1H-Imidazole-4-alanine; Histidine; Histidine, L isomer; Histidine, L-isomer; L-Histidine; L-isomer Histidine</td><td class="structure"><img data-src="/structures/PHUB002343/image.svg" src="" /></td><td>HNDVDQJCIGZPNO-YFKPBYRVSA-N</td><td>71-00-1</td><td>(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid</td><td>155.157</td><td>6.20e+01 g/l</td><td>-3.09</td><td>-0.40</td><td>InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1</td><td>[H][C@](N)(CC1=CN=CN1)C(O)=O</td><td>9.437137464922305</td><td>1.849972676704367</td><td><a href="/food_sources/78">Green bean</a></td><td><a href="/entries/PHUB002342">3-methylhistidine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002343">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2403"><td></td><td><a href="/entries/PHUB002345">3,4-dimethyl-2,5-furandione</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4-dimethylfuran-2,5-dione</td><td>PHUB002345</td><td>2403</td><td>126.031694053</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,3-Dimethylmaleic anhydride; 3,4-dimethylfuran-2,5-dione; Dimethylmaleic anhydride</td><td class="structure"><img data-src="/structures/PHUB002345/image.svg" src="" /></td><td>MFGALGYVFGDXIX-UHFFFAOYSA-N</td><td>766-39-2</td><td>dimethyl-2,5-dihydrofuran-2,5-dione</td><td>126.111</td><td>5.42e+01 g/l</td><td>0.62</td><td>-0.37</td><td>InChI=1S/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3</td><td>CC1=C(C)C(=O)OC1=O</td><td>-6.830130790436196</td><td></td><td><a href="/food_sources/131">Robusta coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002345">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2404"><td></td><td><a href="/entries/PHUB002346">5-hydroxypyrazine-2-carboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>6-oxo-1H-pyrazine-3-carboxylic acid</td><td>PHUB002346</td><td>2404</td><td>140.022191997</td><td>C<sub>5</sub>H<sub>4</sub>N<sub>2</sub>O<sub>3</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compounds</td><td>N-containing compound metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-hydroxypyrazine-2-carboxylic acid; 5-OHPA; 5-oxo-4,5-dihydropyrazine-2-carboxylic acid</td><td class="structure"><img data-src="/structures/PHUB002346/image.svg" src="" /></td><td>CGQFCIHUUCMACC-UHFFFAOYSA-N</td><td>34604-60-9</td><td>5-oxo-4,5-dihydropyrazine-2-carboxylic acid</td><td>140.098</td><td>1.11e+01 g/l</td><td>-1.11</td><td>-1.10</td><td>InChI=1S/C5H4N2O3/c8-4-2-6-3(1-7-4)5(9)10/h1-2H,(H,7,8)(H,9,10)</td><td>OC(=O)C1=CNC(=O)C=N1</td><td>-6.041489258578606</td><td>2.5071270551775195</td><td></td><td><a href="/entries/PHUB002347">Methylpyrazine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002346">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2405"><td></td><td><a href="/entries/PHUB002347">Methylpyrazine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-methylpyrazine</td><td>PHUB002347</td><td>2405</td><td>94.053098201</td><td>C<sub>5</sub>H<sub>6</sub>N<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Methyl-1,4-diazine; 2-Methyl-pyrazine; 2-Methylpyrazine; Methyl-pyrazine; Pyrazine, 2-methyl-</td><td class="structure"><img data-src="/structures/PHUB002347/image.svg" src="" /></td><td>CAWHJQAVHZEVTJ-UHFFFAOYSA-N</td><td>109-08-0</td><td>2-methylpyrazine</td><td>94.117</td><td>3.35e+02 g/l</td><td>0.19</td><td>0.55</td><td>InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3</td><td>CC1=CN=CC=N1</td><td>1.422576981972182</td><td></td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002346">5-hydroxypyrazine-2-carboxylic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002347">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2407"><td></td><td><a href="/entries/PHUB002349">2,5-dimethylpyrazine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002349</td><td>2407</td><td>108.068748266</td><td>C<sub>6</sub>H<sub>8</sub>N<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,5-Dimethyl-1,4-diazine; 2,5-Dimethyl-pyrazine; 2,5-Dimethylparadiazine; 2,5-Dimethylpiazine; 2,5-DMeP; 2,5-DMP</td><td class="structure"><img data-src="/structures/PHUB002349/image.svg" src="" /></td><td>LCZUOKDVTBMCMX-UHFFFAOYSA-N</td><td>123-32-0</td><td>2,5-dimethylpyrazine</td><td>108.144</td><td>1.84e+02 g/l</td><td>0.62</td><td>0.23</td><td>InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3</td><td>CC1=CN=C(C)C=N1</td><td>1.5864940624182495</td><td></td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002348">5-methylpyrazine-2-carboxylic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002349">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2408"><td></td><td><a href="/entries/PHUB002350">6-methylpyrazine-2-carboxylic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002350</td><td>2408</td><td>138.042927441</td><td>C<sub>6</sub>H<sub>6</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>6-MePA</td><td class="structure"><img data-src="/structures/PHUB002350/image.svg" src="" /></td><td>YDSUJIRXXROKQG-UHFFFAOYSA-N</td><td></td><td>6-methylpyrazine-2-carboxylic acid</td><td>138.126</td><td>1.18e+01 g/l</td><td>-0.42</td><td>-1.07</td><td>InChI=1S/C6H6N2O2/c1-4-2-7-3-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)</td><td>CC1=NC(=CN=C1)C(O)=O</td><td>3.671676360380241</td><td>0.3655617435313651</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002350">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2409"><td></td><td><a href="/entries/PHUB002351">2,6-dimethylpyrazine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2,6-dimethylpyrazine</td><td>PHUB002351</td><td>2409</td><td>108.068748266</td><td>C<sub>6</sub>H<sub>8</sub>N<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,6-Dimethyl-1,4-diazine; 2,6-Dimethyl-pyrazine; 2,6-DMeP</td><td class="structure"><img data-src="/structures/PHUB002351/image.svg" src="" /></td><td>HJFZAYHYIWGLNL-UHFFFAOYSA-N</td><td>108-50-9</td><td>2,6-dimethylpyrazine</td><td>108.144</td><td>1.83e+02 g/l</td><td>0.63</td><td>0.23</td><td>InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3</td><td>CC1=CN=CC(C)=N1</td><td>2.137536803906645</td><td></td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002350">6-methylpyrazine-2-carboxylic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002351">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2410"><td></td><td><a href="/entries/PHUB002352">cyclo(L-Pro-L-Val)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3S,8aS)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione</td><td>PHUB002352</td><td>2410</td><td>196.121177763</td><td>C<sub>10</sub>H<sub>16</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cyclo(L-Pro-L-Val); cyclo(prolyl-valyl)</td><td class="structure"><img data-src="/structures/PHUB002352/image.svg" src="" /></td><td>XLUAWXQORJEMBD-UHFFFAOYSA-N</td><td>2854-40-2</td><td>3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione</td><td>196.25</td><td>9.31e+01 g/l</td><td>-0.23</td><td>-0.32</td><td>InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)</td><td>CC(C)C1NC(=O)C2CCCN2C1=O</td><td>-3.4925890179968997</td><td>11.368425178741195</td><td><a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002352">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2411"><td></td><td><a href="/entries/PHUB002353">Pipecolic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>piperidine-2-carboxylic acid</td><td>PHUB002353</td><td>2411</td><td>129.078978598</td><td>C<sub>6</sub>H<sub>11</sub>NO<sub>2</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Dihydrobaikiane; DL-Homoproline; Pipecolate; Pipecolic acid; pipecolic acid hydrochloride, (+-)-isomer; Pipecolinate; piperidine-2-carboxylic acid</td><td class="structure"><img data-src="/structures/PHUB002353/image.svg" src="" /></td><td>HXEACLLIILLPRG-UHFFFAOYSA-N</td><td>535-75-1</td><td>piperidine-2-carboxylic acid</td><td>129.159</td><td>1.58e+02 g/l</td><td>-2.17</td><td>0.09</td><td>InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)</td><td>OC(=O)C1CCCCN1</td><td>10.388033490366288</td><td>2.063103444066461</td><td></td><td><a href="/entries/PHUB002354">Lysine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002353">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2412"><td></td><td><a href="/entries/PHUB002354">Lysine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(2S)-2,6-diaminohexanoic acid</td><td>PHUB002354</td><td>2412</td><td>146.105527699</td><td>C<sub>6</sub>H<sub>14</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Amino acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>L Lysine; Lysine Acetate; Lysine Hydrochloride</td><td class="structure"><img data-src="/structures/PHUB002354/image.svg" src="" /></td><td>KDXKERNSBIXSRK-YFKPBYRVSA-N</td><td>56-87-1</td><td>(2S)-2,6-diaminohexanoic acid</td><td>146.19</td><td>1.05e+02 g/l</td><td>-3.76</td><td>-0.14</td><td>InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1</td><td>[H][C@](N)(CCCCN)C(O)=O</td><td>10.28806162304154</td><td>2.7382862451336982</td><td><a href="/food_sources/40">Common bean</a></td><td><a href="/entries/PHUB002353">Pipecolic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002354">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2413"><td></td><td><a href="/entries/PHUB002355">Dimethylglycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-(dimethylamino)acetic acid</td><td>PHUB002355</td><td>2413</td><td>103.063328534</td><td>C<sub>4</sub>H<sub>9</sub>NO<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(dimethylamino)acetic acid; dimethylamino acetic acid; dimethylglycine; DMG; N-Methylsarcosine; N,-N-dimethyl glycine; N,N-dimethyglycine; N,N-dimethylglycine</td><td class="structure"><img data-src="/structures/PHUB002355/image.svg" src="" /></td><td>FFDGPVCHZBVARC-UHFFFAOYSA-N</td><td>1118-68-9</td><td>2-(dimethylamino)acetic acid</td><td>103.121</td><td>9.39e+02 g/l</td><td>-1.70</td><td>0.96</td><td>InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)</td><td>CN(C)CC(O)=O</td><td>9.691600277978429</td><td>1.8808127451470076</td><td></td><td><a href="/entries/PHUB002356">Glycine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002355">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2414"><td></td><td><a href="/entries/PHUB002356">Glycine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-aminoacetic acid</td><td>PHUB002356</td><td>2414</td><td>75.032028405</td><td>C<sub>2</sub>H<sub>5</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Amino acids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002356/image.svg" src="" /></td><td>DHMQDGOQFOQNFH-UHFFFAOYSA-N</td><td>25718-94-9</td><td>2-aminoacetic acid</td><td>75.067</td><td>5.52e+02 g/l</td><td>-3.34</td><td>0.87</td><td>InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)</td><td>NCC(O)=O</td><td>9.240341660583645</td><td>2.3074568824727404</td><td><a href="/food_sources/40">Common bean</a></td><td><a href="/entries/PHUB002355">Dimethylglycine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002356">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2415"><td></td><td><a href="/entries/PHUB002357">N-caproylhistamine glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002357</td><td>2415</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>HmC6-GlcA</td><td class="structure"><img data-src="/structures/PHUB002357/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002325">N-caproylhistamine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002357">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2416"><td></td><td><a href="/entries/PHUB002358">N-caproylhistidinol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002358</td><td>2416</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>HlC6-GlcA</td><td class="structure"><img data-src="/structures/PHUB002358/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002326">N-caproylhistidinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002358">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2417"><td></td><td><a href="/entries/PHUB002359">Mesifurane sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002359</td><td>2417</td><td></td><td>C<sub>7</sub>H<sub>10</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-methoxy-2,5-dimethyluran-3-one</td><td class="structure"><img data-src="/structures/PHUB002359/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002360">Mesifurane</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002359">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2418"><td></td><td><a href="/entries/PHUB002360">Mesifurane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8 4-methoxy-2,5-dimethyl-2,3-dihydrofuran-3-one</td><td>PHUB002360</td><td>2418</td><td>142.062994182</td><td>C<sub>7</sub>H<sub>10</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,5-Dimethyl 4-methoxy furan-3-one; 2,5-Dimethyl-4-methoxy-2,3-dihydro-3-furanone; 2,5-Dimethyl-4-methoxy-3(2H)-furanone; 3(2H)-Furanone, 2,5-dimethyl-4-methoxy; 4-Methoxy-2,5-dimethyl-2,3-dihydrofuran-3-one; 4-Methoxy-2,5-dimethyl-3(2H)-furanone; 4-Methoxy-2,5-dimethylfuran-3(2H)-one; O-Methylfuraneol</td><td class="structure"><img data-src="/structures/PHUB002360/image.svg" src="" /></td><td>SIMKGHMLPVDSJE-UHFFFAOYSA-N</td><td>4077-47-8</td><td>4-methoxy-2,5-dimethyl-2,3-dihydrofuran-3-one</td><td>142.154</td><td>1.52e+02 g/l</td><td>0.43</td><td>0.03</td><td>InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3</td><td>COC1=C(C)OC(C)C1=O</td><td>-4.656171891553546</td><td>9.08956016534835</td><td><a href="/food_sources/142">Strawberry</a></td><td><a href="/entries/PHUB002359">Mesifurane sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002360">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2419"><td></td><td><a href="/entries/PHUB002361">Malvidin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>PHUB002361</td><td>2419</td><td>507.113317221</td><td>C<sub>23</sub>H<sub>23</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>3',5'-Dimethoxy-3,4',5,7-tetrahydroxyflavylium acid anion glucuronide; Malvidin-3-beta-Glucuronide</td><td class="structure"><img data-src="/structures/PHUB002361/image.svg" src="" /></td><td>UYZBTMBWXANOMA-VLXBDIDVSA-O</td><td></td><td>3-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambda4-chromen-1-ylium</td><td>507.423</td><td>4.66e-01 g/l</td><td>1.21</td><td>-3.07</td><td>InChI=1S/C23H22O13/c1-32-13-3-8(4-14(33-2)16(13)26)20-15(7-10-11(25)5-9(24)6-12(10)34-20)35-23-19(29)17(27)18(28)21(36-23)22(30)31/h3-7,17-19,21,23,27-29H,1-2H3,(H3-,24,25,26,30,31)/p+1/t17-,18-,19+,21-,23+/m0/s1</td><td>[H][C@@]1(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(OC)=C(O)C(OC)=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.686830652048678</td><td>3.2870431440665975</td><td></td><td><a href="/entries/PHUB001455">Malvidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002361">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2420"><td></td><td><a href="/entries/PHUB002362">Esculeogenin B sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002362</td><td>2420</td><td>527.291673967</td><td>C<sub>27</sub>H<sub>45</sub>NO<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td>Saponins (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002362/image.svg" src="" /></td><td>AWWSLWMXUMVOEI-UATOUQEKSA-N</td><td></td><td>[(5S,7S,10S,14S,16S,20S)-22-hydroxy-20-(hydroxymethyl)-10,14,16-trimethyl-23-oxa-18-azahexacyclo[12.11.0.0^{2,11}.0^{5,10}.0^{15,24}.0^{17,22}]pentacosan-7-yl]oxidanesulfonic acid</td><td>527.72</td><td>1.89e-02 g/l</td><td>0.77</td><td>-4.44</td><td>InChI=1S/C27H45NO7S/c1-15-23-22(34-27(30)12-16(14-29)13-28-24(15)27)11-21-19-5-4-17-10-18(35-36(31,32)33)6-8-25(17,2)20(19)7-9-26(21,23)3/h15-24,28-30H,4-14H2,1-3H3,(H,31,32,33)/t15-,16-,17-,18-,19?,20?,21?,22?,23?,24?,25-,26-,27?/m0/s1</td><td>[H][C@@]12CCC3C4CC5OC6(O)C[C@H](CO)CNC6([H])[C@@H](C)C5[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](C2)OS(O)(=O)=O</td><td>9.03879938735309</td><td>-1.3307164212429314</td><td></td><td><a href="/entries/PHUB002364">Esculeogenin B</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002362">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2421"><td></td><td><a href="/entries/PHUB002363">Hydroxyesculeogenin B</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002363</td><td>2421</td><td>463.329773553</td><td>C<sub>27</sub>H<sub>45</sub>NO<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Triterpenoid metabolites</td><td>Miscelleanous triterpenoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002363/image.svg" src="" /></td><td>NISCSSVINATNQS-PIUBENDCSA-N</td><td></td><td>(5S,7S,10R,14S,16S,20S)-10,20-bis(hydroxymethyl)-14,16-dimethyl-23-oxa-18-azahexacyclo[12.11.0.0^{2,11}.0^{5,10}.0^{15,24}.0^{17,22}]pentacosane-7,22-diol</td><td>463.659</td><td>1.95e-02 g/l</td><td>1.58</td><td>-4.38</td><td>InChI=1S/C27H45NO5/c1-15-23-22(33-27(32)11-16(13-29)12-28-24(15)27)10-21-19-4-3-17-9-18(31)5-8-26(17,14-30)20(19)6-7-25(21,23)2/h15-24,28-32H,3-14H2,1-2H3/t15-,16-,17-,18-,19?,20?,21?,22?,23?,24?,25-,26+,27?/m0/s1</td><td>[H][C@@]12CCC3C4CC5OC6(O)C[C@H](CO)CNC6([H])[C@@H](C)C5[C@@]4(C)CCC3[C@@]1(CO)CC[C@H](O)C2</td><td>9.038799387397212</td><td>11.510078933225062</td><td></td><td><a href="/entries/PHUB002364">Esculeogenin B</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002363">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2422"><td></td><td><a href="/entries/PHUB002364">Esculeogenin B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20S,22R,24S)-20-(hydroxymethyl)-10,14,16-trimethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosane-7,22-diol</td><td>PHUB002364</td><td>2422</td><td>447.334858933</td><td>C<sub>27</sub>H<sub>45</sub>NO<sub>4</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Miscellaneous triterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(5alpha,22S,23R,25S)-22,26-epimino-16beta,23-epoxy-3beta,23,27-trihydroxycholestane</td><td class="structure"><img data-src="/structures/PHUB002364/image.svg" src="" /></td><td>AGNQTDBSAUJBFO-JCEQVCBNSA-N</td><td></td><td>(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20S,22R,24S)-20-(hydroxymethyl)-10,14,16-trimethyl-23-oxa-18-azahexacyclo[12.11.0.0^{2,11}.0^{5,10}.0^{15,24}.0^{17,22}]pentacosane-7,22-diol</td><td>447.66</td><td>1.09e-02 g/l</td><td>2.63</td><td>-4.62</td><td>InChI=1S/C27H45NO4/c1-15-23-22(32-27(31)12-16(14-29)13-28-24(15)27)11-21-19-5-4-17-10-18(30)6-8-25(17,2)20(19)7-9-26(21,23)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27+/m0/s1</td><td>[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@]([H])(O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@]([H])(C)[C@]1([H])NC[C@@]([H])(CO)C[C@@]1(O)O2</td><td>9.038799387352006</td><td>11.51007893322491</td><td><a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB002362">Esculeogenin B sulfate</a> / <a href="/entries/PHUB002363">Hydroxyesculeogenin B</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002364">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2423"><td></td><td><a href="/entries/PHUB002365">Tangutorid E glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002365</td><td>2423</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Miscellaneous alkaloid metabolites</td><td>Tan E-GlcA</td><td class="structure"><img data-src="/structures/PHUB002365/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002367">Tangutorid E</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002365">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2424"><td></td><td><a href="/entries/PHUB002366">Tangutorid F glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002366</td><td>2424</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Miscellaneous alkaloid metabolites</td><td>Tan F-GlcA</td><td class="structure"><img data-src="/structures/PHUB002366/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002368">Tangutorid F</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002366">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2425"><td></td><td><a href="/entries/PHUB002367">Tangutorid E</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td> (1-(1â²,3â²,4â²,5â²-tetrahydroxypent-1â²-yl)-9H-pyrido[3,4-b]indol)</td><td>PHUB002367</td><td>2425</td><td>286.131742448</td><td>C<sub>16</sub>H<sub>18</sub>N<sub>2</sub>O<sub>3</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Tan E; Tan E/F</td><td class="structure"><img data-src="/structures/PHUB002367/image.svg" src="" /></td><td>VXZSUVLXDTUJAO-UHFFFAOYSA-N</td><td></td><td>1-{9H-pyrido[3,4-b]indol-1-yl}pentane-1,3,4-triol</td><td>286.331</td><td>1.26e+00 g/l</td><td>1.13</td><td>-2.36</td><td>InChI=1S/C16H18N2O3/c1-9(19)13(20)8-14(21)16-15-11(6-7-17-16)10-4-2-3-5-12(10)18-15/h2-7,9,13-14,18-21H,8H2,1H3</td><td>[H]C([H])(C(O)C1=NC=CC2=C1NC1=CC=CC=C21)C([H])(O)C([H])(C)O</td><td>4.807740191927822</td><td>12.749947477927961</td><td><a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB002365">Tangutorid E glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002367">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2426"><td></td><td><a href="/entries/PHUB002368">Tangutorid F</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(1-(1â²,3â²,4â²,5â²-tetrahydroxypent-1â²-yl)-9H-pyrido[3,4-b]indol)</td><td>PHUB002368</td><td>2426</td><td>286.131742448</td><td>C<sub>16</sub>H<sub>18</sub>N<sub>2</sub>O<sub>3</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Tan F; TanF/E</td><td class="structure"><img data-src="/structures/PHUB002368/image.svg" src="" /></td><td>VXZSUVLXDTUJAO-UHFFFAOYSA-N</td><td></td><td>1-{9H-pyrido[3,4-b]indol-1-yl}pentane-1,3,4-triol</td><td>286.331</td><td>1.26e+00 g/l</td><td>1.13</td><td>-2.36</td><td>InChI=1S/C16H18N2O3/c1-9(19)13(20)8-14(21)16-15-11(6-7-17-16)10-4-2-3-5-12(10)18-15/h2-7,9,13-14,18-21H,8H2,1H3</td><td>[H]C([H])(C(O)C1=NC=CC2=C1NC1=CC=CC=C21)C([H])(O)C([H])(C)O</td><td>4.807740191927822</td><td>12.749947477927961</td><td><a href="/food_sources/71">Tomato</a></td><td><a href="/entries/PHUB002366">Tangutorid F glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002368">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2427"><td></td><td><a href="/entries/PHUB002369">N-caprylhistidinol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002369</td><td>2427</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>HlC8-GlcA</td><td class="structure"><img data-src="/structures/PHUB002369/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002328">N-caprylhistidinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002369">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2429"><td></td><td><a href="/entries/PHUB002371">7-oxo-11-Dodecenoic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>7-oxododec-11-enoic acid</td><td>PHUB002371</td><td>2429</td><td>212.141244504</td><td>C<sub>12</sub>H<sub>20</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>7-oxo-11-Dodecenoic acid</td><td class="structure"><img data-src="/structures/PHUB002371/image.svg" src="" /></td><td>CDSFEDLMFNBDBT-UHFFFAOYSA-N</td><td>54921-60-7</td><td>7-oxododec-11-enoic acid</td><td>212.289</td><td>2.22e-01 g/l</td><td>2.81</td><td>-2.98</td><td>InChI=1S/C12H20O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h2H,1,3-10H2,(H,14,15)</td><td>OC(=O)CCCCCC(=O)CCCC=C</td><td>-7.347179437827525</td><td>4.5504497928884655</td><td><a href="/food_sources/29">Celery stalks</a></td><td><a href="/entries/PHUB002370">7-oxo-11-dodecenoic acid glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002371">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2430"><td></td><td><a href="/entries/PHUB002372">Valencic acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002372</td><td>2430</td><td></td><td>C<sub>18</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-[(3-methylbut-2-en-1-yl)oxy]benzoic acid glucuroonide</td><td class="structure"><img data-src="/structures/PHUB002372/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002373">Valencic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002372">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2431"><td></td><td><a href="/entries/PHUB002373">Valencic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4-(3-methylbut-2-enoxy)benzoic acid</td><td>PHUB002373</td><td>2431</td><td>206.094294311</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Miscellaneous phenolic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(3-Methyl-but-2-enyloxy)-benzoic acid; 4-(3-methylbut-2-enoxy)benzoic acid; 4-prenyloxybenzoic acid; p-[(3-methyl-2-butenyl)oxy]benzoic acid</td><td class="structure"><img data-src="/structures/PHUB002373/image.svg" src="" /></td><td>KLZJDQVTNOMAKU-UHFFFAOYSA-N</td><td>28090-15-5</td><td>4-[(3-methylbut-2-en-1-yl)oxy]benzoic acid</td><td>206.241</td><td>3.60e-01 g/l</td><td>2.87</td><td>-2.76</td><td>
8InChI=1S/C12H14O3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-7H,8H2,1-2H3,(H,13,14)</td><td>CC(C)=CCOC1=CC=C(C=C1)C(O)=O</td><td>-4.8807182773609386</td><td>4.357170627380259</td><td><a href="/food_sources/29">Celery stalks</a></td><td><a href="/entries/PHUB002372">Valencic acid glucuronide</a> / <a href="/entries/PHUB002374">Valencic acid sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002373">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2433"><td></td><td><a href="/entries/PHUB002375">N-caprylhistamine glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002375</td><td>2433</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>HmC8-GlcA</td><td class="structure"><img data-src="/structures/PHUB002375/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002327">N-caprylhistamine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002375">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2434"><td></td><td><a href="/entries/PHUB002376">Petunidin glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002376</td><td>2434</td><td></td><td>C<sub>22</sub>H<sub>21</sub>O<sub>13</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>Myrtillidin glucuronide; Petunidin 3-O-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002376/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/165">Blueberry</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002376">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2435"><td></td><td><a href="/entries/PHUB002377">Delphinidin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002377</td><td>2435</td><td></td><td>C<sub>21</sub>H<sub>19</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td>Delfinidol glucuronide</td><td class="structure"><img data-src="/structures/PHUB002377/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001418">Delphinidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002377">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2436"><td></td><td><a href="/entries/PHUB002378">S-Methyl cysteine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(2R)-2-amino-3-methylsulfanylpropanoic acid</td><td>PHUB002378</td><td>2436</td><td>135.035399708</td><td>C<sub>4</sub>H<sub>9</sub>NO<sub>2</sub>S</td><td>N-containing compounds</td><td>Amino acids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(R)-2-amino-3-(methylthio)propanoic acid; 3-(methylthio)-L-alanine; H-Cys(Me)-OH; L-Methylcysteine; Methylcysteine; S-methyl-l-cys; S-Methyl-L-cysteine</td><td class="structure"><img data-src="/structures/PHUB002378/image.svg" src="" /></td><td>IDIDJDIHTAOVLG-VKHMYHEASA-N</td><td>1187-84-4</td><td>(2R)-2-amino-3-(methylsulfanyl)propanoic acid</td><td>135.18</td><td>6.58e+01 g/l</td><td>-2.21</td><td>-0.31</td><td>InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1</td><td>[H][C@](N)(CSC)C(O)=O</td><td>9.146384026498897</td><td>2.4449295067998698</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002378">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2439"><td></td><td><a href="/entries/PHUB002381">cyclo(ser-tyr)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3S,6S)-3-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione</td><td>PHUB002381</td><td>2439</td><td>250.095356939</td><td>C<sub>12</sub>H<sub>14</sub>N<sub>2</sub>O<sub>4</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cyclo(-L-Ser-L-Tyr); Cyclo(D-seryl-L-tyrosyl); Cyclo(seryltyrosyl); Cyclo(seryltyrosyl)</td><td class="structure"><img data-src="/structures/PHUB002381/image.svg" src="" /></td><td>CHYMARRIVIIBNV-UWVGGRQHSA-N</td><td>21754-31-4</td><td>(3S,6S)-3-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-3,6-dihydropyrazine-2,5-diol</td><td>250.254</td><td>4.48e-01 g/l</td><td>-0.06</td><td>-2.75</td><td>InChI=1S/C12H14N2O4/c15-6-10-12(18)13-9(11(17)14-10)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6H2,(H,13,18)(H,14,17)/t9-,10-/m0/s1</td><td>[H][C@@]1(CO)N=C(O)[C@]([H])(CC2=CC=C(O)C=C2)N=C1O</td><td>4.689112808680595</td><td>1.8873929441279054</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002381">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2440"><td></td><td><a href="/entries/PHUB002382">3,5-diiodo-L-thyronine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid</td><td>PHUB002382</td><td>2440</td><td>524.8934</td><td>C<sub>15</sub>H<sub>13</sub>I<sub>2</sub>NO<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-Diiodothyronine (VAN); L-3,5-Diiodothyronine; L-Tyrosine, O-(4-hydroxyphenyl)-3,5-diiodo-</td><td class="structure"><img data-src="/structures/PHUB002382/image.svg" src="" /></td><td>ZHSOTLOTTDYIIK-ZDUSSCGKSA-N</td><td>1041-01-6</td><td>(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid</td><td>525.081</td><td>5.23e-02 g/l</td><td>0.45</td><td>-4.00</td><td>InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1</td><td>[H][C@](N)(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)C(O)=O</td><td>9.232461570060185</td><td>0.3317196589453075</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002382">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2441"><td></td><td><a href="/entries/PHUB002383">N-acetylalliin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2R)-2-acetamido-3-[(S)-prop-2-enylsulfinyl]propanoic acid</td><td>PHUB002383</td><td>2441</td><td>219.056529077</td><td>C<sub>8</sub>H<sub>13</sub>NO<sub>4</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-acetyl-3-[(S)-prop-2-ene-1-sulfinyl]-L-alanine</td><td class="structure"><img data-src="/structures/PHUB002383/image.svg" src="" /></td><td>CCCNUHFRBBIFHO-WJWGPLDTSA-N</td><td></td><td>(2R)-2-[(1-hydroxyethylidene)amino]-3-[(S)-prop-2-ene-1-sulfinyl]propanoic acid</td><td>219.26</td><td>1.30e+01 g/l</td><td>-0.02</td><td>-1.23</td><td>InChI=1S/C8H13NO4S/c1-3-4-14(13)5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-,14-/m0/s1</td><td>[H][C@@](C[S@@](=O)CC=C)(N=C(C)O)C(O)=O</td><td>0.8223288054011423</td><td>3.5453989598068314</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002383">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2442"><td></td><td><a href="/entries/PHUB002384">S-methyl-3(methylthio)thiopropionate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>S-methyl 3-methylsulfanylpropanethioate</td><td>PHUB002384</td><td>2442</td><td>150.01730729</td><td>C<sub>5</sub>H<sub>10</sub>OS<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(Methylthio)propanethioic acid S-methyl este; Propanethioic acid, 3-(methylthio)-, S-methyl ester; S-methyl 3-(methylthio)-thiopropionate</td><td class="structure"><img data-src="/structures/PHUB002384/image.svg" src="" /></td><td>VSKKFAQGKLLSML-UHFFFAOYSA-N</td><td>42919-65-3</td><td>1,3-bis(methylsulfanyl)propan-1-one</td><td>150.25</td><td>3.07e+00 g/l</td><td>1.09</td><td>-1.69</td><td>InChI=1S/C5H10OS2/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3</td><td>CSCCC(=O)SC</td><td>-6.0518248840891795</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002384">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2443"><td></td><td><a href="/entries/PHUB002385">S-methyl-thioacrylate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>S-methyl prop-2-enethioate</td><td>PHUB002385</td><td>2443</td><td>102.013935987</td><td>C<sub>4</sub>H<sub>6</sub>OS</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Propenethioic acid, S-methyl ester; 2-Propenethioic acid, S-methyl ester; S-Methyl 2-propenethioate; thioacrylic acid S-methyl ester</td><td class="structure"><img data-src="/structures/PHUB002385/image.svg" src="" /></td><td>PSJMMTZCYKGHJA-UHFFFAOYSA-N</td><td>5883-16-9</td><td>1-(methylsulfanyl)prop-2-en-1-one</td><td>102.15</td><td>6.54e+00 g/l</td><td>0.52</td><td>-1.19</td><td>InChI=1S/C4H6OS/c1-3-4(5)6-2/h3H,1H2,2H3</td><td>CSC(=O)C=C</td><td>-5.8906359860207305</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002385">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2444"><td></td><td><a href="/entries/PHUB002386">Hydroxytyrosol acetate sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2-acetylperoxysulfonylperoxy-2-oxoethyl) 2-amino-3-(2,3,4-trihydroxyphenyl)propanoate</td><td>PHUB002386</td><td>2444</td><td>425.026410721</td><td>C<sub>13</sub>H<sub>15</sub>NO<sub>13</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td>hydroxytyrosol acetate sulphate</td><td class="structure"><img data-src="/structures/PHUB002386/image.svg" src="" /></td><td>JLMHVOFXVNOVCX-UHFFFAOYSA-N</td><td></td><td>2-{[(acetylperoxy)sulfonyl]peroxy}-2-oxoethyl 2-amino-3-(2,3,4-trihydroxyphenyl)propanoate</td><td>425.32</td><td>8.07e-01 g/l</td><td>1.16</td><td>-2.72</td><td>InChI=1S/C13H15NO13S/c1-6(15)24-26-28(21,22)27-25-10(17)5-23-13(20)8(14)4-7-2-3-9(16)12(19)11(7)18/h2-3,8,16,18-19H,4-5,14H2,1H3</td><td>CC(=O)OOS(=O)(=O)OOC(=O)COC(=O)C(N)CC1=C(O)C(O)=C(O)C=C1</td><td>6.611001198601312</td><td>8.85658956370022</td><td></td><td><a href="/entries/PHUB001698">Hydroxytyrosol</a> / <a href="/entries/PHUB002678">Virgin olive oil Secoiridoids</a> / <a href="/entries/PHUB002640">Olive oil (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002386">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2445"><td></td><td><a href="/entries/PHUB002387">Hydroxytyrosol 3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>[2-hydroxy-5-(2-hydroxyethyl)phenyl] hydrogen sulfate</td><td>PHUB002387</td><td>2445</td><td>234.019809216</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td>Hydroxytyrosol 3'-sulfuric acid; Hydroxytyrosol 3'-sulphuric acid</td><td class="structure"><img data-src="/structures/PHUB002387/image.svg" src="" /></td><td>BZTHVCCNFBAISK-UHFFFAOYSA-N</td><td></td><td>[2-hydroxy-5-(2-hydroxyethyl)phenyl]oxidanesulfonic acid</td><td>234.22</td><td>4.78e+00 g/l</td><td>-1.21</td><td>-1.69</td><td>InChI=1S/C8H10O6S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,9-10H,3-4H2,(H,11,12,13)</td><td>OCCC1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td>-2.416837994457273</td><td>-2.1867541526885237</td><td></td><td><a href="/entries/PHUB001321">3'-Hydroxytyrosol</a> / <a href="/entries/PHUB001698">Hydroxytyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002387">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2446"><td></td><td><a href="/entries/PHUB002388">Hydroxytyrosol 4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>[2-hydroxy-4-(2-hydroxyethyl)phenyl] hydrogen sulfate</td><td>PHUB002388</td><td>2446</td><td>234.019809216</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td>[2-hydroxy-4-(2-hydroxyethyl)phenyl] hydrogen sulfate; Hydroxy Tyrosol 4-Sulfate; Hydroxy Tyrosol 4-Sulfate</td><td class="structure"><img data-src="/structures/PHUB002388/image.svg" src="" /></td><td>VNPXBLBTQUFCHO-UHFFFAOYSA-N</td><td>425408-51-1</td><td>[2-hydroxy-4-(2-hydroxyethyl)phenyl]oxidanesulfonic acid</td><td>234.22</td><td>4.59e+00 g/l</td><td>-1.19</td><td>-1.71</td><td>InChI=1S/C8H10O6S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,9-10H,3-4H2,(H,11,12,13)</td><td>OCCC1=CC(O)=C(OS(O)(=O)=O)C=C1</td><td>-2.4306243104442027</td><td>-2.1855462663933127</td><td></td><td><a href="/entries/PHUB001698">Hydroxytyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002388">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2447"><td></td><td><a href="/entries/PHUB002389">Tyrosol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid</td><td>PHUB002389</td><td>2447</td><td>314.10016754</td><td>C<sub>14</sub>H<sub>18</sub>O<sub>8</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td>4-(beta-D-Glucopyranuronosyloxy)benzeneethanol</td><td class="structure"><img data-src="/structures/PHUB002389/image.svg" src="" /></td><td>HEIHXCBRTPYOMU-BYNIDDHOSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid</td><td>314.29</td><td>1.26e+01 g/l</td><td>-0.88</td><td>-1.40</td><td>InChI=1S/C14H18O8/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14-18H,5-6H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1</td><td>[H][C@@]1(OC2=CC=C(CCO)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-2.4044069330392652</td><td>3.2753484531610715</td><td></td><td><a href="/entries/PHUB001371">Tyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002389">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2448"><td></td><td><a href="/entries/PHUB002390">Hydroxytyrosol 4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid</td><td>PHUB002390</td><td>2448</td><td>330.09508216</td><td>C<sub>14</sub>H<sub>18</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>3-Hydroxy-4-(beta-D-glucopyranuronosyloxy)benzeneethanol</td><td class="structure"><img data-src="/structures/PHUB002390/image.svg" src="" /></td><td>JMDNSUMWVYKARS-BYNIDDHOSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid</td><td>330.289</td><td>1.54e+01 g/l</td><td>-0.79</td><td>-1.33</td><td>InChI=1S/C14H18O9/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1</td><td>[H][C@@]1(OC2=C(O)C=C(CCO)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-2.4133022772388113</td><td>3.0845301171753214</td><td></td><td><a href="/entries/PHUB001698">Hydroxytyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002390">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2449"><td></td><td><a href="/entries/PHUB002391">Hydroxytyrosol 3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid</td><td>PHUB002391</td><td>2449</td><td>330.09508216</td><td>C<sub>14</sub>H<sub>18</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td>2-(beta-D-Glucopyranuronosyloxy)-4-(2-hydroxyethyl)phenol; 4'-hydroxytyrosol-3'-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002391/image.svg" src="" /></td><td>CPHMFZSEPDNJAZ-BYNIDDHOSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid</td><td>330.289</td><td>1.70e+01 g/l</td><td>-0.82</td><td>-1.29</td><td>InChI=1S/C14H18O9/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1</td><td>[H][C@@]1(OC2=C(O)C=CC(CCO)=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-2.4113897508989384</td><td>3.172003877058046</td><td></td><td><a href="/entries/PHUB001321">3'-Hydroxytyrosol</a> / <a href="/entries/PHUB001698">Hydroxytyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002391">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2450"><td></td><td><a href="/entries/PHUB002392">Asparaginyl valine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylbutanoic acid</td><td>PHUB002392</td><td>2450</td><td>231.121906039</td><td>C<sub>9</sub>H<sub>17</sub>N<sub>3</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Asn-Val; Asp-Val; asparaginylvaline; asparagylvaline</td><td class="structure"><img data-src="/structures/PHUB002392/image.svg" src="" /></td><td>KWBQPGIYEZKDEG-UHFFFAOYSA-N</td><td></td><td>2-{[2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-3-methylbutanoic acid</td><td>231.252</td><td>7.64e-01 g/l</td><td>-2.94</td><td>-2.48</td><td>InChI=1S/C9H17N3O4/c1-4(2)7(9(15)16)12-8(14)5(10)3-6(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)</td><td>CC(C)C(N=C(O)C(N)CC(O)=N)C(O)=O</td><td>13.069512363713935</td><td>-1.019142300397396</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002392">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2451"><td></td><td><a href="/entries/PHUB002393">N-carbamoyl-2-amino-2-(4-hydroxyphenyl) acetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid</td><td>PHUB002393</td><td>2451</td><td>210.06405681</td><td>C<sub>9</sub>H<sub>10</sub>N<sub>2</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid; alpha-((aminocarbonyl)amino)-4-hydroxy-; Benzeneacetic acid; N-carbamoyl-2-(p-hydroxyphenyl)glycine; p-hydroxyphenylhydantoic acid</td><td class="structure"><img data-src="/structures/PHUB002393/image.svg" src="" /></td><td>GSHIDXLOTQDUAV-UHFFFAOYSA-N</td><td>72500-37-9</td><td>2-[(C-hydroxycarbonimidoyl)amino]-2-(4-hydroxyphenyl)acetic acid</td><td>210.189</td><td>4.37e-01 g/l</td><td>0.14</td><td>-2.68</td><td>InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)</td><td>OC(=N)NC(C(O)=O)C1=CC=C(O)C=C1</td><td>14.089786630165063</td><td>-1.3930752769571533</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002393">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2452"><td></td><td><a href="/entries/PHUB002394">2,6-dimethyl-2-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-(2,6-dimethyl-3,4-dihydrochromen-2-yl)ethanol</td><td>PHUB002394</td><td>2452</td><td>206.13067982</td><td>C<sub>13</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,6-Dimethyl-3,4-dihydro-2H-1-benzopyran-2-ethanol</td><td class="structure"><img data-src="/structures/PHUB002394/image.svg" src="" /></td><td>XYPZIMJRPNTDRA-UHFFFAOYSA-N</td><td></td><td>2-(2,6-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)ethan-1-ol</td><td>206.285</td><td>2.40e-01 g/l</td><td>2.88</td><td>-2.93</td><td>InChI=1S/C13H18O2/c1-10-3-4-12-11(9-10)5-6-13(2,15-12)7-8-14/h3-4,9,14H,5-8H2,1-2H3</td><td>CC1=CC2=C(OC(C)(CCO)CC2)C=C1</td><td>-2.4136636590550573</td><td>15.880512896536219</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002394">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2453"><td></td><td><a href="/entries/PHUB002395">2-aminophenol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2-aminophenyl) hydrogen sulfate</td><td>PHUB002395</td><td>2453</td><td>189.009578883</td><td>C<sub>6</sub>H<sub>7</sub>NO<sub>4</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2-aminophenyl) hydrogen sulfate; (2-aminophenyl)oxidanesulfonic acid; 2-aminophenol hydrogen sulfate; 2-aminophenyl hydrogen sulfate; Anilinbisulfat; o-aminophenol hydrogen sulfate; Phenol, 2-amino-, 1-(hydrogen sulfate); sulfuric acid mono-(2-aminophenyl ester)</td><td class="structure"><img data-src="/structures/PHUB002395/image.svg" src="" /></td><td>VSTZVCJQGSLNLL-UHFFFAOYSA-N</td><td>40712-56-9</td><td>(2-aminophenyl)oxidanesulfonic acid</td><td>189.19</td><td>5.60e+00 g/l</td><td>-1.32</td><td>-1.53</td><td>InChI=1S/C6H7NO4S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H,7H2,(H,8,9,10)</td><td>NC1=CC=CC=C1OS(O)(=O)=O</td><td>2.5052670421808143</td><td>-2.9103730806498582</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002395">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2454"><td></td><td><a href="/entries/PHUB002396">Ergothioneine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate</td><td>PHUB002396</td><td>2454</td><td>229.088497909</td><td>C<sub>9</sub>H<sub>15</sub>N<sub>3</sub>O<sub>2</sub>S</td><td>N-containing compounds</td><td>Amino acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2 Thiol L histidine betaine; 2-Thiol-L-histidine-betaine; Ergothioneine; Thioneine</td><td class="structure"><img data-src="/structures/PHUB002396/image.svg" src="" /></td><td>SSISHJJTAXXQAX-ZETCQYMHSA-N</td><td>497-30-3</td><td>(2S)-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate</td><td>229.3</td><td>5.94e-02 g/l</td><td>-1.72</td><td>-3.68</td><td>InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1</td><td>C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C([O-])=O</td><td></td><td>3.489266415614524</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002396">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2455"><td></td><td><a href="/entries/PHUB002397">N-acetyl-S-(N-allylthiocarbamoyl)cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2R)-2-acetamido-3-(prop-2-enylcarbamothioylsulfanyl)propanoic acid</td><td>PHUB002397</td><td>2455</td><td>262.044584667</td><td>C<sub>9</sub>H<sub>14</sub>N<sub>2</sub>O<sub>3</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Ac-ATC-Cys; N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine; N-acetyl-S-(N-allylthiocarbamoyl)cysteine</td><td class="structure"><img data-src="/structures/PHUB002397/image.svg" src="" /></td><td>DJFUZUUKZXAXBZ-ZETCQYMHSA-N</td><td>87321-45-7</td><td>(2R)-2-[(1-hydroxyethylidene)amino]-3-{[(prop-2-en-1-yl)thio(carbonoimidyl)]sulfanyl}propanoic acid</td><td>262.34</td><td>1.09e-01 g/l</td><td>1.44</td><td>-3.38</td><td>InChI=1S/C9H14N2O3S2/c1-3-4-10-9(15)16-5-7(8(13)14)11-6(2)12/h3,7H,1,4-5H2,2H3,(H,10,15)(H,11,12)(H,13,14)/t7-/m0/s1</td><td>[H][C@@](CSC(S)=NCC=C)(N=C(C)O)C(O)=O</td><td>4.197951428734961</td><td>3.478116886840123</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002397">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2456"><td></td><td><a href="/entries/PHUB002398">3,5-dihydroxycinnamic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid</td><td>PHUB002398</td><td>2456</td><td>180.042258738</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>4</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(3,5-Dihydroxyphenyl)-2-propenoic acid</td><td class="structure"><img data-src="/structures/PHUB002398/image.svg" src="" /></td><td>MFFCZSWTQMCKFP-OWOJBTEDSA-N</td><td>127791-54-2</td><td>(2E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid</td><td>180.159</td><td>1.45e+00 g/l</td><td>1.47</td><td>-2.10</td><td>InChI=1S/C9H8O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5,10-11H,(H,12,13)/b2-1+</td><td>[H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C(O)=O</td><td>-5.678551146790086</td><td>3.442603270513811</td><td></td><td><a href="/entries/PHUB001381">3-(3,5-Dihydroxyphenyl)propanoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002398">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2457"><td></td><td><a href="/entries/PHUB002399">Tetrahydrothiophene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Thiolane</td><td>PHUB002399</td><td>2457</td><td>88.034671432</td><td>C<sub>4</sub>H<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>tetrahydrothiophene; THT, thiophene</td><td class="structure"><img data-src="/structures/PHUB002399/image.svg" src="" /></td><td>RAOIDOHSFRTOEL-UHFFFAOYSA-N</td><td>110-01-0</td><td>thiolane</td><td>88.17</td><td>3.41e+00 g/l</td><td>1.78</td><td>-1.41</td><td>InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2</td><td>C1CCSC1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002399">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2458"><td></td><td><a href="/entries/PHUB002400">5-hexadecyl-1,3-Benzenediol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-hexadecylbenzene-1,3-diol</td><td>PHUB002400</td><td>2458</td><td>334.287180464</td><td>C<sub>22</sub>H<sub>38</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3-Benzenediol, 5-hexadecyl-; 5-Hexadecylresorcinol</td><td class="structure"><img data-src="/structures/PHUB002400/image.svg" src="" /></td><td>FYXJKENJKALVIL-UHFFFAOYSA-N</td><td>84765-48-0</td><td>5-hexadecylbenzene-1,3-diol</td><td>334.544</td><td>2.40e-04 g/l</td><td>8.50</td><td>-6.15</td><td>InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19-22(24)18-20/h17-19,23-24H,2-16H2,1H3</td><td>CCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002400">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2459"><td></td><td><a href="/entries/PHUB002401">N-(2-furoyl)glycine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>2-(furan-2-carbonylamino)acetic acid</td><td>PHUB002401</td><td>2459</td><td>169.037507709</td><td>C<sub>7</sub>H<sub>7</sub>NO<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>furoylglycine</td><td class="structure"><img data-src="/structures/PHUB002401/image.svg" src="" /></td><td>KSPQDMRTZZYQLM-UHFFFAOYSA-N</td><td>5657-19-2</td><td>2-[(furan-2-yl)formamido]acetic acid</td><td>169.136</td><td>8.76e+00 g/l</td><td>0.10</td><td>-1.29</td><td>InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)</td><td>OC(=O)CNC(=O)C1=CC=CO1</td><td>-2.9694270763558905</td><td>3.342943262402008</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002401">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2460"><td></td><td><a href="/entries/PHUB002402">Cyclo(isoleucyl-prolyl)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(3S,8aS)-3-[(2S)-butan-2-yl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione</td><td>PHUB002402</td><td>2460</td><td>210.136827828</td><td>C<sub>11</sub>H<sub>18</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cyclo L-Pro-L-Ile; Cyclo L-Pro-L-Ile (Fr. 1-5); Cyclo(Ile-Pro-); cyclo(isoleucyl-prolyl)</td><td class="structure"><img data-src="/structures/PHUB002402/image.svg" src="" /></td><td>ZDACRNZBFJOLTC-CIUDSAMLSA-N</td><td></td><td>(3S,8aS)-3-[(2S)-butan-2-yl]-1-hydroxy-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one</td><td>210.277</td><td>4.48e+00 g/l</td><td>0.86</td><td>-1.67</td><td>InChI=1S/C11H18N2O2/c1-3-7(2)9-11(15)13-6-4-5-8(13)10(14)12-9/h7-9H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9-/m0/s1</td><td>[H][C@](C)(CC)[C@]1([H])N=C(O)[C@]2([H])CCCN2C1=O</td><td>1.4871335101646586</td><td>4.792985423959998</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002402">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2461"><td></td><td><a href="/entries/PHUB002403">3,7 dimethyluric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,7-dimethyl-9H-purine-2,6,8-trione</td><td>PHUB002403</td><td>2461</td><td>196.059640134</td><td>C<sub>7</sub>H<sub>8</sub>N<sub>4</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>3,7-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione; 3,7-Dimethyl-2,6,8-trihydroxypurine; 3,7-dimethylate; 3,7-Dimethylate; 3,7-DMU; 3,7-DMU; 7-Dimethylate</td><td class="structure"><img data-src="/structures/PHUB002403/image.svg" src="" /></td><td>HMLZLHKHNBLLJD-UHFFFAOYSA-N</td><td>13087-49-5</td><td>3,7-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione</td><td>196.166</td><td>9.62e+00 g/l</td><td>-0.61</td><td>-1.31</td><td>InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)</td><td>CN1C(=O)NC2=C1C(=O)NC(=O)N2C</td><td>-6.024680278721663</td><td>8.12966218404884</td><td></td><td><a href="/entries/PHUB000790">Theobromine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002403">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2462"><td></td><td><a href="/entries/PHUB002404">5-acetyl-amino-6-amino-3-methyluracil</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide</td><td>PHUB002404</td><td>2462</td><td>198.075290198</td><td>C<sub>7</sub>H<sub>10</sub>N<sub>4</sub>O<sub>3</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide</td><td class="structure"><img data-src="/structures/PHUB002404/image.svg" src="" /></td><td>POQOTWQIYYNXAT-UHFFFAOYSA-N</td><td>19893-78-8</td><td>N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide</td><td>198.182</td><td>2.50e+00 g/l</td><td>-1.05</td><td>-1.90</td><td>InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)</td><td>CN1C(=O)NC(N)=C(NC(C)=O)C1=O</td><td>-4.511594458108112</td><td>9.756465524292572</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002404">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2463"><td></td><td><a href="/entries/PHUB002405">5-acetylamino-6-formylamino-3-methyluracil</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>N-(6-formamido-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide</td><td>PHUB002405</td><td>2463</td><td>226.070204818</td><td>C<sub>8</sub>H<sub>10</sub>N<sub>4</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>5-acetamido-6-formamido-3-methyluracil; AFMU; N-(6-formamido-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide</td><td class="structure"><img data-src="/structures/PHUB002405/image.svg" src="" /></td><td>RDZNZFGKEVDNPK-UHFFFAOYSA-N</td><td>85438-96-6</td><td>N-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide</td><td>226.192</td><td>5.34e-01 g/l</td><td>-0.74</td><td>-2.63</td><td>InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)</td><td>CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O</td><td>-5.747201881980313</td><td>9.024399309758753</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB002593">Cocoa purines</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002405">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2464"><td></td><td><a href="/entries/PHUB002406">Paraxanthine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>1,7-dimethyl-3H-purine-2,6-dione</td><td>PHUB002406</td><td>2464</td><td>180.064725514</td><td>C<sub>7</sub>H<sub>8</sub>N<sub>4</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Purines and pyrimidines</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>1,7-dimethyl-Xanthine; 1,7-Dimethylxanthine; p-Xanthine</td><td class="structure"><img data-src="/structures/PHUB002406/image.svg" src="" /></td><td>QUNWUDVFRNGTCO-UHFFFAOYSA-N</td><td>611-59-6</td><td>1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione</td><td>180.167</td><td>9.13e+00 g/l</td><td>-0.63</td><td>-1.30</td><td>InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)</td><td>CN1C=NC2=C1C(=O)N(C)C(=O)N2</td><td>-1.1015578750953714</td><td>10.909494476174363</td><td></td><td><a href="/entries/PHUB002406">Paraxanthine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002406">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2467"><td></td><td><a href="/entries/PHUB002409">nootkatone 13,14-diol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002409</td><td>2467</td><td></td><td>C<sub>15</sub>H<sub>22</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002409/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002409">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2470"><td></td><td><a href="/entries/PHUB002412">Dimethylamine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002412</td><td>2470</td><td>45.057849229</td><td>C<sub>2</sub>H<sub>7</sub>N</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amine metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>di-methylamine; DMA; N-Methylmethanamine; N,N-Dimethylamine</td><td class="structure"><img data-src="/structures/PHUB002412/image.svg" src="" /></td><td>ROSDSFDQCJNGOL-UHFFFAOYSA-N</td><td></td><td>dimethylamine</td><td>45.085</td><td></td><td></td><td></td><td>InChI=1S/C2H7N/c1-3-2/h3H,1-2H3</td><td>CNC</td><td>10.522579829086101</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002412">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2471"><td></td><td><a href="/entries/PHUB002413">2-hydroxy-7-methoxy-4H-1,4-benzoxazin-3-one glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002413</td><td>2471</td><td></td><td>C<sub>15</sub>H<sub>17</sub>NO<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002413/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002297">2-Hydroxy-7-methoxy-1,4-benzoxazin-3-one</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002413">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2472"><td></td><td><a href="/entries/PHUB002414">N-(2hydroxyphenyl) acetamide glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002414</td><td>2472</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002414/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002414">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2473"><td></td><td><a href="/entries/PHUB002415">Hexahydrolactucin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002415</td><td>2473</td><td></td><td>C<sub>21</sub>H<sub>30</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002415/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002416">Hexahydrolactucin</a> / <a href="/entries/PHUB002103">11β,13-dihydrolactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002415">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2474"><td></td><td><a href="/entries/PHUB002416">Hexahydrolactucin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002416</td><td>2474</td><td></td><td>C<sub>15</sub>H<sub>22</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002416/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/89">Lettuce</a></td><td><a href="/entries/PHUB002103">11β,13-dihydrolactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002416">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2475"><td></td><td><a href="/entries/PHUB002417">Hexahydrolactucin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002417</td><td>2475</td><td></td><td>C<sub>15</sub>H<sub>22</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002417/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002416">Hexahydrolactucin</a> / <a href="/entries/PHUB002103">11β,13-dihydrolactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002417">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2476"><td></td><td><a href="/entries/PHUB002418">Tetrahydrolactucin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002418</td><td>2476</td><td></td><td>C<sub>21</sub>H<sub>28</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002418/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002420">Tetrahydrolactucin</a> / <a href="/entries/PHUB002103">11β,13-dihydrolactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002418">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2477"><td></td><td><a href="/entries/PHUB002419">Tetrahydrolactucin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002419</td><td>2477</td><td></td><td>C<sub>15</sub>H<sub>20</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002419/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002420">Tetrahydrolactucin</a> / <a href="/entries/PHUB002103">11β,13-dihydrolactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002419">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2478"><td></td><td><a href="/entries/PHUB002420">Tetrahydrolactucin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002420</td><td>2478</td><td></td><td>C<sub>15</sub>H<sub>20</sub>O<sub>5</sub></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002420/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/89">Lettuce</a></td><td><a href="/entries/PHUB002418">Tetrahydrolactucin-glucuronide</a> / <a href="/entries/PHUB002419">Tetrahydrolactucin sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002420">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2479"><td></td><td><a href="/entries/PHUB002421">Tetrahydrolactucopicrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002421</td><td>2479</td><td></td><td>C<sub>23</sub>H<sub>26</sub>O<sub>7</sub></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002421/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/89">Lettuce</a></td><td><a href="/entries/PHUB002422">Tetrahydrolactucopicrin glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002421">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2480"><td></td><td><a href="/entries/PHUB002422">Tetrahydrolactucopicrin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002422</td><td>2480</td><td></td><td>C<sub>29</sub>H<sub>34</sub>O<sub>13</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002422/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002421">Tetrahydrolactucopicrin</a> / <a href="/entries/PHUB002316">11beta,13-dihydrolactucopicrin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002422">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2481"><td></td><td><a href="/entries/PHUB002423">Feruloylquinic acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002423</td><td>2481</td><td></td><td>C<sub>23</sub>H<sub>28</sub>O<sub>15</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002423/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002424">Feruloylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002423">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2482"><td></td><td><a href="/entries/PHUB002424">Feruloylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate</td><td>PHUB002424</td><td>2482</td><td>368.110732224</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002424/image.svg" src="" /></td><td>MOKUYUICRPXHER-UHFFFAOYSA-N</td><td></td><td>3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate</td><td>368.338</td><td>3.09e+00 g/l</td><td>0.06</td><td>-2.08</td><td>InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-16(23)17(24)7-11(19)15(22)12(20)8-17/h2-6,11-12,15,18-20,22,24H,7-8H2,1H3</td><td>COC1=C(O)C=CC(C=CC(=O)OC(=O)C2(O)CC(O)C(O)C(O)C2)=C1</td><td>-3.231120879639778</td><td>9.863915231912367</td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002423">Feruloylquinic acid glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002424">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2483"><td></td><td><a href="/entries/PHUB002425">5,3â²,4â²-trihydroxy-3-methoxy-6,7-methylendioxyflavone sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002425</td><td>2483</td><td></td><td>C<sub>17</sub>H<sub>12</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002425/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002425">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2484"><td></td><td><a href="/entries/PHUB002426">Patuletin glucuronide sulfate-methyl</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002426</td><td>2484</td><td></td><td>C<sub>23</sub>H<sub>22</sub>O<sub>17</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td>3,5,7,3',4'-Pentahydroxy-6-methoxyflavone glucuronide sulfate methyl; 6-O-Methylquercetagetin glucuronide sulfate methyl</td><td class="structure"><img data-src="/structures/PHUB002426/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002426">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2485"><td></td><td><a href="/entries/PHUB002427">Spinacetin sulfo-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002427</td><td>2485</td><td></td><td>C<sub>23</sub>H<sub>22</sub>O<sub>17</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td>3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone glucuronide sulfate</td><td class="structure"><img data-src="/structures/PHUB002427/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002427">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2486"><td></td><td><a href="/entries/PHUB002428">2-hydroxy-1,4-benzoxazin-3-one sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002428</td><td>2486</td><td></td><td>C<sub>8</sub>H<sub>7</sub>NO<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3-hydroxy-2H-1,4-benzoxazin-2-yl)oxidanesulfonic acid</td><td class="structure"><img data-src="/structures/PHUB002428/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002292">2-Hydroxy-1,4-benzoxazin-3-one</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002428">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2487"><td></td><td><a href="/entries/PHUB002429">2-hydroxy-7-methoxy-4H-1,4-benzoxazin-3-one sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002429</td><td>2487</td><td></td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002429/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002429">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2488"><td></td><td><a href="/entries/PHUB002430">Synephrine glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002430</td><td>2488</td><td></td><td>C<sub>15</sub>H<sub>21</sub>NO<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Miscellaneous alkaloid metabolites</td><td>Analeptin glucuronide; Oxedrine glucuronide; p-Synephrine glucuronide; Parasympatol glucuronide; Sympaethamine glucuronide</td><td class="structure"><img data-src="/structures/PHUB002430/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002331">Synephrine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002430">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2489"><td></td><td><a href="/entries/PHUB002431">Synephrine hydrogen sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002431</td><td>2489</td><td></td><td>C<sub>9</sub>H<sub>14</sub>NO<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Miscellaneous alkaloid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002431/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002331">Synephrine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002431">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2490"><td></td><td><a href="/entries/PHUB002432">2-thiothiazolidine-4-carboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid</td><td>PHUB002432</td><td>2490</td><td>162.976170753</td><td>C<sub>4</sub>H<sub>5</sub>NO<sub>2</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(4R)-(-)-2-Thioxo-4-thiazolidinecarboxylic acid; (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid; (4R)-2-Thioxo-1,3-thiazolidine-4-carboxylic acid; Raphanusamic acid</td><td class="structure"><img data-src="/structures/PHUB002432/image.svg" src="" /></td><td>SQUOCHQOQMZGQP-REOHCLBHSA-N</td><td>98169-56-3</td><td>(4R)-2-sulfanyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid</td><td>163.21</td><td>2.64e+00 g/l</td><td>0.94</td><td>-1.79</td><td>
8InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1</td><td>[H][C@]1(CSC(S)=N1)C(O)=O</td><td>0.4302857894759816</td><td>3.3899649321049816</td><td><a href="/food_sources/19">Broccoli</a></td><td><a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000821">Sulforaphane</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002432">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2491"><td></td><td><a href="/entries/PHUB002433">Calystegine B1</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>(1R,2S,3R,5S,6R)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol</td><td>PHUB002433</td><td>2491</td><td>175.084457903</td><td>C<sub>7</sub>H<sub>13</sub>NO<sub>4</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Miscellaneous alkaloid metabolites</td><td>(1R,2S,3R,5S,6R)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,6-TETROL; 8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol; Calystegine B(1)</td><td class="structure"><img data-src="/structures/PHUB002433/image.svg" src="" /></td><td>BQFFLYRIKODYEN-CXNFULCWSA-N</td><td>127414-86-2</td><td>(1R,2S,3R,5S,6R)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol</td><td>175.184</td><td>7.73e+02 g/l</td><td>-1.91</td><td>0.64</td><td>InChI=1S/C7H13NO4/c9-4-1-3-5(10)2-7(12,8-3)6(4)11/h3-6,8-12H,1-2H2/t3-,4+,5+,6-,7+/m0/s1</td><td>[H][C@@]1(O)C[C@]2(O)N[C@@]1([H])C[C@@]([H])(O)[C@]2([H])O</td><td>8.47796595124574</td><td>12.169415574231909</td><td><a href="/food_sources/122">Potato</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002433">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2492"><td></td><td><a href="/entries/PHUB002434">ethyl-1-(ethylthio)propyl disulfide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002434</td><td>2492</td><td>196.041414037</td><td>C<sub>7</sub>H<sub>16</sub>S<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-(ethyldisulfanyl)-1-ethylsulfanylpropane; Ethyl 1-(ethylthio)propyl disulfide; Ethyl 1-(ethylthio)propyl persulfide</td><td class="structure"><img data-src="/structures/PHUB002434/image.svg" src="" /></td><td>WWQMZZWQEKRNPT-UHFFFAOYSA-N</td><td>183554-18-9</td><td>1-(ethyldisulfanyl)-1-(ethylsulfanyl)propane</td><td>196.39</td><td>6.79e-02 g/l</td><td>3.97</td><td>-3.46</td><td>InChI=1S/C7H16S3/c1-4-7(8-5-2)10-9-6-3/h7H,4-6H2,1-3H3</td><td>CCSSC(CC)SCC</td><td></td><td></td><td><a href="/food_sources/293">Red wine</a> / <a href="/food_sources/294">White wine</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002434">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2493"><td></td><td><a href="/entries/PHUB002435">Ferulic acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxymethoxycinnamic acid glucuronide</td><td>PHUB002435</td><td>2493</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002435/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000608">Ferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002435">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2494"><td></td><td><a href="/entries/PHUB002436">Ferulic acid sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxymethoxycinnamic acid sulfate</td><td>PHUB002436</td><td>2494</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002436/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002436">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2495"><td></td><td><a href="/entries/PHUB002437">Caffeic acid glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxycinnamic acid glucuronide</td><td>PHUB002437</td><td>2495</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002437/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002642">Tomato (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002437">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2496"><td></td><td><a href="/entries/PHUB002438">Caffeic acid sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxycinnamic acid sulfate</td><td>PHUB002438</td><td>2496</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002438/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002640">Olive oil (Poly)phenols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002652">Oat (Poly)phenols</a> / <a href="/entries/PHUB002642">Tomato (Poly)phenols</a> / <a href="/entries/PHUB000574">Caffeic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002438">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2497"><td></td><td><a href="/entries/PHUB002439">Methylferulic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4',3'-Dimethoxycinnamic acid</td><td>PHUB002439</td><td>2497</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002439/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002439">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2498"><td></td><td><a href="/entries/PHUB002440">isoFeruloylglycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxy-3'-hydroxycinnamoyl-glycine</td><td>PHUB002440</td><td>2498</td><td>251.079372523</td><td>C<sub>12</sub>H<sub>13</sub>NO<sub>5</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002440/image.svg" src="" /></td><td>ROFFPTNCRNGTKU-HWKANZROSA-N</td><td></td><td>2-[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamido]acetic acid</td><td>251.238</td><td>3.99e-01 g/l</td><td>1.58</td><td>-2.80</td><td>InChI=1S/C12H13NO5/c1-18-10-4-2-8(6-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+</td><td>COC1=CC=C(\C=C\C(=O)NCC(O)=O)C=C1O</td><td>-0.7105485173539761</td><td>3.314301700889211</td><td></td><td><a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002440">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2499"><td></td><td><a href="/entries/PHUB002441">3-Caffeoylquinic acid lactone-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Caffeoylquinic acid lactone-sulfate</td><td>PHUB002441</td><td>2499</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002441/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002441">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2500"><td></td><td><a href="/entries/PHUB002442">4-Caffeoylquinic acid lactone-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Caffeoylquinic acid lactone-sulfate</td><td>PHUB002442</td><td>2500</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002442/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002442">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2501"><td></td><td><a href="/entries/PHUB002443">3-Caï¬eoylquinic acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Caï¬eoylquinic acid-sulfate</td><td>PHUB002443</td><td>2501</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002443/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002443">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2502"><td></td><td><a href="/entries/PHUB002444">4-Caï¬eoylquinic acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Caï¬eoylquinic acid-sulfate</td><td>PHUB002444</td><td>2502</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002444/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002444">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2503"><td></td><td><a href="/entries/PHUB002445">3,3'-Dimethoxyrosmarinic acid-4-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,3'-Dimethoxyrosmarinic acid-4-glucuronide </td><td>PHUB002445</td><td>2503</td><td>564.147905582</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002445/image.svg" src="" /></td><td>QWLCNXJGAYZNNA-WFTSJXPJSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{4-[(1E)-3-[(1S)-1-carboxy-2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>564.496</td><td>2.42e-01 g/l</td><td>1.56</td><td>-3.37</td><td>InChI=1S/C26H28O14/c1-36-15-6-4-13(9-14(15)27)11-18(24(32)33)38-19(28)8-5-12-3-7-16(17(10-12)37-2)39-26-22(31)20(29)21(30)23(40-26)25(34)35/h3-10,18,20-23,26-27,29-31H,11H2,1-2H3,(H,32,33)(H,34,35)/b8-5+/t18-,20-,21-,22+,23-,26+/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(OC)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(O)=O)C=C1</td><td>-3.6868279760638365</td><td>2.8597672452123315</td><td></td><td><a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB000634">Rosmarinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002445">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2504"><td></td><td><a href="/entries/PHUB002446">3'-Methoxyrosmarinic acid-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxyrosmarinic acid-4'-glucuronide </td><td>PHUB002446</td><td>2504</td><td>550.132255517</td><td>C<sub>25</sub>H<sub>26</sub>O<sub>14</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002446/image.svg" src="" /></td><td>QQXXOLVNYOBFIO-SZFBBADZSA-N</td><td></td><td>(6S)-6-{5-[(2S)-2-carboxy-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>550.469</td><td>3.35e-01 g/l</td><td>1.75</td><td>-3.22</td><td>InChI=1S/C25H26O14/c1-36-15-6-3-12(9-16(15)38-25-21(31)19(29)20(30)22(39-25)24(34)35)10-17(23(32)33)37-18(28)7-4-11-2-5-13(26)14(27)8-11/h2-9,17,19-22,25-27,29-31H,10H2,1H3,(H,32,33)(H,34,35)/b7-4+/t17-,19?,20?,21?,22?,25+/m0/s1</td><td>COC1=C(O[C@@H]2OC(C(O)C(O)C2O)C(O)=O)C=C(C[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O)C=C1</td><td>-3.6868279769341314</td><td>2.8462721532305855</td><td></td><td><a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB000634">Rosmarinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002446">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2506"><td></td><td><a href="/entries/PHUB002448">3',4-Dimethoxyrosmarinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3',4-Dimethoxyrosmarinic acid</td><td>PHUB002448</td><td>2506</td><td>388.115817604</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002448/image.svg" src="" /></td><td>WVIPLXKSOYZOJL-MOTZXUDYSA-N</td><td></td><td>(2S)-3-(3-hydroxy-4-methoxyphenyl)-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}propanoic acid</td><td>388.372</td><td>2.97e-02 g/l</td><td>3.03</td><td>-4.12</td><td>InChI=1S/C20H20O8/c1-26-16-6-3-12(9-14(16)21)5-8-19(23)28-18(20(24)25)11-13-4-7-17(27-2)15(22)10-13/h3-10,18,21-22H,11H2,1-2H3,(H,24,25)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(O)=C(OC)C=C2)C(O)=O)C=C1</td><td>-4.5868641309269345</td><td>3.194158677999744</td><td></td><td><a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB000634">Rosmarinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002448">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2507"><td></td><td><a href="/entries/PHUB002449">3,4'-Dimethoxyrosmarinic acid-4-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4'-Dimethoxyrosmarinic acid-4-glucuronide</td><td>PHUB002449</td><td>2507</td><td>564.147905582</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002449/image.svg" src="" /></td><td>MVKONXXEUMPSKW-WFTSJXPJSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{4-[(1E)-3-[(1S)-1-carboxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>564.496</td><td>2.47e-01 g/l</td><td>1.55</td><td>-3.36</td><td>InChI=1S/C26H28O14/c1-36-16-10-13(3-6-14(16)27)11-18(24(32)33)38-19(28)8-5-12-4-7-15(17(9-12)37-2)39-26-22(31)20(29)21(30)23(40-26)25(34)35/h3-10,18,20-23,26-27,29-31H,11H2,1-2H3,(H,32,33)(H,34,35)/b8-5+/t18-,20-,21-,22+,23-,26+/m0/s1</td><td>COC1=C(O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(OC)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(O)=O)=C1</td><td>-3.6868279760638365</td><td>2.8597680256817437</td><td></td><td><a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a> / <a href="/entries/PHUB000634">Rosmarinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002449">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2509"><td></td><td><a href="/entries/PHUB002451">3',4'-Dimethoxyphenylpropanoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3',4'-Dimethoxyphenylpropanoic acid</td><td>PHUB002451</td><td>2509</td><td>210.089208931</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>4</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td>Dihydrodimethoxycinnamic acid</td><td class="structure"><img data-src="/structures/PHUB002451/image.svg" src="" /></td><td>LHHKQWQTBCTDQM-UHFFFAOYSA-N</td><td></td><td>3-(3,4-dimethoxyphenyl)propanoic acid</td><td>210.229</td><td>6.82e-01 g/l</td><td>1.84</td><td>-2.49</td><td>InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)</td><td>COC1=C(OC)C=C(CCC(O)=O)C=C1</td><td>-4.592337728059554</td><td>4.05127548403869</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002451">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2510"><td></td><td><a href="/entries/PHUB002452">3-Dihydroferuloylquinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Dihydroferuloylquinic acid</td><td>PHUB002452</td><td>2510</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002452/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002452">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2511"><td></td><td><a href="/entries/PHUB002453">5-Dihydroferuloylquinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-Dihydroferuloylquinic acid</td><td>PHUB002453</td><td>2511</td><td>368.147117733</td><td>C<sub>18</sub>H<sub>24</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002453/image.svg" src="" /></td><td>AXKVXNAEJCHSEK-BQUDOFGOSA-N</td><td></td><td>(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[3-(3-methoxy-4-methylphenyl)propanoyl]oxy}cyclohexane-1-carboxylic acid</td><td>368.382</td><td>1.84e+00 g/l</td><td>0.15</td><td>-2.30</td><td>InChI=1S/C18H24O8/c1-10-3-4-11(7-13(10)25-2)5-6-15(20)26-14-9-18(24,17(22)23)8-12(19)16(14)21/h3-4,7,12,14,16,19,21,24H,5-6,8-9H2,1-2H3,(H,22,23)/t12-,14-,16-,18+/m1/s1</td><td>COC1=C(C)C=CC(CCC(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)=C1</td><td>-3.2318165673658075</td><td>3.4224792952928698</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002453">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2512"><td></td><td><a href="/entries/PHUB002454">Dihydrocoumaroylquinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Dihydrocoumaroylquinic acid</td><td>PHUB002454</td><td>2512</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002454/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002454">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2513"><td></td><td><a href="/entries/PHUB002455">3-Dihydrocaffeoylquinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Dihydrocaffeoylquinic acid</td><td>PHUB002455</td><td>2513</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002455/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002455">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2514"><td></td><td><a href="/entries/PHUB002456">4-Dihydrocaffeoylquinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Dihydrocaffeoylquinic acid</td><td>PHUB002456</td><td>2514</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002456/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002456">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2515"><td></td><td><a href="/entries/PHUB002457">5-Dihydrocaffeoylquinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-Dihydrocaffeoylquinic acid</td><td>PHUB002457</td><td>2515</td><td>356.110732224</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002457/image.svg" src="" /></td><td>RLGFSACCIOSKQS-NCZKRNLISA-N</td><td></td><td>(1S,3R,4R,5R)-3-{[3-(3,4-dihydroxyphenyl)propanoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid</td><td>356.327</td><td>4.24e+00 g/l</td><td>-0.23</td><td>-1.92</td><td>InChI=1S/C16H20O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1,3,5,11-12,14,17-19,21,24H,2,4,6-7H2,(H,22,23)/t11-,12-,14-,16+/m1/s1</td><td>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)CCC2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O</td><td>-3.2318165673658075</td><td>3.4040520429071566</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002457">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2516"><td></td><td><a href="/entries/PHUB002458">Caffeoylquinic acid lactone sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Caffeoylquinic acid lactone sulfate</td><td>PHUB002458</td><td>2516</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002458/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a> / <a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002458">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2517"><td></td><td><a href="/entries/PHUB002459">Dihydrocaffeoylquinic acid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Dihydrocaffeoylquinic acid-glucuronide</td><td>PHUB002459</td><td>2517</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002459/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002459">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2518"><td></td><td><a href="/entries/PHUB002460">Coumaroyl quinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Coumaroyl quinic acid</td><td>PHUB002460</td><td>2518</td><td>338.10016754</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002460/image.svg" src="" /></td><td>SQGGFUJWLVAPFS-PZXRGUMJSA-N</td><td></td><td>(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(3-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>338.312</td><td></td><td></td><td></td><td>InChI=1S/C16H18O8/c17-10-3-1-2-9(6-10)4-5-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b5-4+/t11-,12-,14-,16+/m1/s1</td><td>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=CC(O)=C2)[C@@H]1O)C(O)=O</td><td>-3.2318239809154075</td><td>3.3406302943561035</td><td></td><td><a href="/entries/PHUB002460">Coumaroyl quinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002460">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2519"><td></td><td><a href="/entries/PHUB002461">Feruloylquinic lactone glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Feruloylquinic lactone glucuronide</td><td>PHUB002461</td><td>2519</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002461/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002461">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2520"><td></td><td><a href="/entries/PHUB002462">Hydroxymethoxycinnamic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxymethoxycinnamic acid</td><td>PHUB002462</td><td>2520</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002462/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002650">Cyanidin-3-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002462">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2521"><td></td><td><a href="/entries/PHUB002463">3-(3â²-Hydroxyphenyl)propionic acid-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
83-(Phenyl)propanoic acid-3â-glucuronide</td><td>PHUB002463</td><td>2521</td><td>342.09508216</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002463/image.svg" src="" /></td><td>YFLHDBYZUJBQGB-UHFFFAOYSA-N</td><td></td><td>6-[3-(2-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>342.3</td><td>5.92e+00 g/l</td><td>-0.21</td><td>-1.76</td><td>InChI=1S/C15H18O9/c16-9(17)5-4-7-2-1-3-8(6-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-3,6,10-13,15,18-20H,4-5H2,(H,16,17)(H,21,22)</td><td>OC1C(O)C(OC2=CC=CC(CCC(O)=O)=C2)OC(C1O)C(O)=O</td><td>-3.686826762246161</td><td>3.20927014815792</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002463">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2522"><td></td><td><a href="/entries/PHUB002464">Syringic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,5-Dimethoxy-benzoic acid-4-sulfate</td><td>PHUB002464</td><td>2522</td><td>278.009638456</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002464/image.svg" src="" /></td><td>RUXRRHGJTRVOSL-UHFFFAOYSA-N</td><td></td><td>3,5-dimethoxy-4-(sulfooxy)benzoic acid</td><td>278.23</td><td>2.25e+00 g/l</td><td>-0.51</td><td>-2.09</td><td>InChI=1S/C9H10O8S/c1-15-6-3-5(9(10)11)4-7(16-2)8(6)17-18(12,13)14/h3-4H,1-2H3,(H,10,11)(H,12,13,14)</td><td>COC1=CC(=CC(OC)=C1OS(O)(=O)=O)C(O)=O</td><td>-4.639736036453197</td><td>-2.5503563684396466</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002464">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2523"><td></td><td><a href="/entries/PHUB002465">Trimethoxycinnamic acid-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Trimethoxycinnamic acid-sulfate </td><td>PHUB002465</td><td>2523</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002465/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002465">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2524"><td></td><td><a href="/entries/PHUB002466">Coumaroylquinic lactone-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Coumaroylquinic lactone-glucuronide </td><td>PHUB002466</td><td>2524</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002466/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002466">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2525"><td></td><td><a href="/entries/PHUB002467">Catechol-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxybenzene-sulfate</td><td>PHUB002467</td><td>2525</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002467/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002467">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2526"><td></td><td><a href="/entries/PHUB002468">Methylcatechol-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Methoxybenzene-sulfate</td><td>PHUB002468</td><td>2526</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002468/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002468">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2529"><td></td><td><a href="/entries/PHUB002471">4-Caffeoylquinic-1,5-lactone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Caffeoylquinic-1,5-lactone</td><td>PHUB002471</td><td>2529</td><td>336.084517475</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>4-Caffeoyl-1,5-quinolactone</td><td class="structure"><img data-src="/structures/PHUB002471/image.svg" src="" /></td><td>BMSNCTFPYHTXGU-JUHZACGLSA-N</td><td></td><td>(1S,3R,4R,5R)-1,3-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>336.296</td><td>2.71e+00 g/l</td><td>0.20</td><td>-2.09</td><td>InChI=1S/C16H16O8/c17-9-3-1-8(5-10(9)18)2-4-13(20)24-14-11(19)6-16(22)7-12(14)23-15(16)21/h1-5,11-12,14,17-19,22H,6-7H2/b4-2+/t11-,12-,14-,16+/m1/s1</td><td>O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1OC(=O)\C=C\C1=CC(O)=C(O)C=C1</td><td>-3.2468774105273144</td><td>9.208140363085006</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002471">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2530"><td></td><td><a href="/entries/PHUB002472">5-Caffeoylquinic acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-Caffeoylquinic acid-3'-sulfate</td><td>PHUB002472</td><td>2530</td><td>434.051897194</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>12</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002472/image.svg" src="" /></td><td>BCBXERYNRBHRDJ-PKDAUIPSSA-N</td><td></td><td>(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>434.37</td><td>4.09e+00 g/l</td><td>-1.00</td><td>-2.03</td><td>InChI=1S/C16H18O12S/c17-9-3-1-8(5-11(9)28-29(24,25)26)2-4-13(19)27-12-7-16(23,15(21)22)6-10(18)14(12)20/h1-5,10,12,14,17-18,20,23H,6-7H2,(H,21,22)(H,24,25,26)/b4-2+/t10-,12-,14-,16+/m1/s1</td><td>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(OS(O)(=O)=O)=C(O)C=C2)[C@@H]1O)C(O)=O</td><td>-3.2318239809154075</td><td>-2.342285196124075</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002472">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2531"><td></td><td><a href="/entries/PHUB002473">5-Caffeoylquinic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-Caffeoylquinic acid-4'-sulfate</td><td>PHUB002473</td><td>2531</td><td>434.051897194</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>12</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002473/image.svg" src="" /></td><td>CIGLQYYFCGRIAU-PKDAUIPSSA-N</td><td></td><td>(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-[3-hydroxy-4-(sulfooxy)phenyl]prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>434.37</td><td>3.77e+00 g/l</td><td>-0.96</td><td>-2.06</td><td>InChI=1S/C16H18O12S/c17-9-5-8(1-3-11(9)28-29(24,25)26)2-4-13(19)27-12-7-16(23,15(21)22)6-10(18)14(12)20/h1-5,10,12,14,17-18,20,23H,6-7H2,(H,21,22)(H,24,25,26)/b4-2+/t10-,12-,14-,16+/m1/s1</td><td>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(OS(O)(=O)=O)C=C2)[C@@H]1O)C(O)=O</td><td>-3.2318239809154075</td><td>-2.352446732380796</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002473">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2534"><td></td><td><a href="/entries/PHUB002476">5-Feruloylquinic acid-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-Feruloylquinic acid-4'-glucuronide</td><td>PHUB002476</td><td>2534</td><td>544.142820202</td><td>C<sub>23</sub>H<sub>28</sub>O<sub>15</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002476/image.svg" src="" /></td><td>KKMJZCBCSVPNGY-HWKANZROSA-N</td><td></td><td>6-[(5-carboxy-2,5-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>544.462</td><td>5.18e+00 g/l</td><td>-0.63</td><td>-2.02</td><td>InChI=1S/C23H28O15/c1-35-11-6-9(2-4-10(11)24)3-5-14(25)36-12-7-23(34,22(32)33)8-13(15(12)26)37-21-18(29)16(27)17(28)19(38-21)20(30)31/h2-6,12-13,15-19,21,24,26-29,34H,7-8H2,1H3,(H,30,31)(H,32,33)/b5-3+</td><td>COC1=C(O)C=CC(\C=C\C(=O)OC2CC(O)(CC(OC3OC(C(O)C(O)C3O)C(O)=O)C2O)C(O)=O)=C1</td><td>-3.6865005117013996</td><td>2.8563176300697823</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002476">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2535"><td></td><td><a href="/entries/PHUB002477">5-Feruloylquinic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-Feruloylquinic acid-4'-sulfate</td><td>PHUB002477</td><td>2535</td><td>448.067547258</td><td>C<sub>17</sub>H<sub>20</sub>O<sub>12</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002477/image.svg" src="" /></td><td>ZQYQAAFXWGTKPA-HWKANZROSA-N</td><td></td><td>1,4-dihydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-(sulfooxy)cyclohexane-1-carboxylic acid</td><td>448.4</td><td>4.32e+00 g/l</td><td>-0.60</td><td>-2.02</td><td>InChI=1S/C17H20O12S/c1-27-11-6-9(2-4-10(11)18)3-5-14(19)28-12-7-17(23,16(21)22)8-13(15(12)20)29-30(24,25)26/h2-6,12-13,15,18,20,23H,7-8H2,1H3,(H,21,22)(H,24,25,26)/b5-3+</td><td>[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)OC1CC(O)(CC(OS(O)(=O)=O)C1O)C(O)=O</td><td>-3.623284278152768</td><td>-1.9309533988681187</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002477">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2539"><td></td><td><a href="/entries/PHUB002481">Drupanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-prenyl-4-hydroxycinnamic acid</td><td>PHUB002481</td><td>2539</td><td>232.109944375</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-prenyl-4-hydroxycinnamic acid</td><td class="structure"><img data-src="/structures/PHUB002481/image.svg" src="" /></td><td>HZKNHDLUFBYIQN-VMPITWQZSA-N</td><td></td><td>(2E)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid</td><td>232.279</td><td>5.19e-02 g/l</td><td>3.29</td><td>-3.65</td><td>InChI=1S/C14H16O3/c1-10(2)3-6-12-9-11(4-7-13(12)15)5-8-14(16)17/h3-5,7-9,15H,6H2,1-2H3,(H,16,17)/b8-5+</td><td>CC(C)=CCC1=C(O)C=CC(\C=C\C(O)=O)=C1</td><td>-6.006350569688726</td><td>3.7650695607819817</td><td></td><td><a href="/entries/PHUB002484">drupanin-4-O-β-D-glucuronide</a> / <a href="/entries/PHUB002481">Drupanin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002481">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2540"><td></td><td><a href="/entries/PHUB002482">Capillartemisin A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>Capillartemisin A</td><td>PHUB002482</td><td>2540</td><td>316.167459253</td><td>C<sub>19</sub>H<sub>24</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>(E)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid; Capillartemisin A</td><td class="structure"><img data-src="/structures/PHUB002482/image.svg" src="" /></td><td>HEFPIIHDRLNTDN-JBFPSKHUSA-N</td><td>85819-52-9</td><td>(2E)-3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-5-(3-methylbut-2-en-1-yl)phenyl}prop-2-enoic acid</td><td>316.397</td><td>4.94e-03 g/l</td><td>3.97</td><td>-4.81</td><td>InChI=1S/C19H24O4/c1-13(2)4-7-16-10-15(6-9-18(21)22)11-17(19(16)23)8-5-14(3)12-20/h4-6,9-11,20,23H,7-8,12H2,1-3H3,(H,21,22)/b9-6+,14-5+</td><td>CC(C)=CCC1=C(O)C(C\C=C(/C)CO)=CC(\C=C\C(O)=O)=C1</td><td>-2.7258007175741605</td><td>3.74106636967165</td><td></td><td><a href="/entries/PHUB002482">Capillartemisin A</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002482">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2541"><td></td><td><a href="/entries/PHUB002483">artepillin C-4-O-β-D-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Artepillin C-4'-glucuronide</td><td>PHUB002483</td><td>2541</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002483/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002647">Artepillin C</a> / <a href="/entries/PHUB002646">Propolis (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002483">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2546"><td></td><td><a href="/entries/PHUB002488">Guaiacol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-Methoxybenzene-1-sulfate</td><td>PHUB002488</td><td>2546</td><td>204.009244532</td><td>C<sub>7</sub>H<sub>8</sub>O<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002488/image.svg" src="" /></td><td>ASHYAXWNZMCQPW-UHFFFAOYSA-N</td><td></td><td>(2-methoxyphenyl)oxidanesulfonic acid</td><td>204.2</td><td></td><td></td><td></td><td>InChI=1S/C7H16O4S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h6-10H,2-5H2,1H3</td><td>COC1=C(OS(O)(=O)=O)C=CC=C1</td><td>-4.9176657354695115</td><td>-2.2794163475347817</td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002488">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2547"><td></td><td><a href="/entries/PHUB002489">Guaiacol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-Methoxybenzene-1-glucuronide</td><td>PHUB002489</td><td>2547</td><td>300.084517475</td><td>C<sub>13</sub>H<sub>16</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002489/image.svg" src="" /></td><td>HCERDGUTZJYILQ-UHFFFAOYSA-N</td><td></td><td></td><td>300.263</td><td></td><td></td><td></td><td>InChI=1S/C13H22O8/c1-19-6-4-2-3-5-7(6)20-13-10(16)8(14)9(15)11(21-13)12(17)18/h6-11,13-16H,2-5H2,1H3,(H,17,18)</td><td>COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002489">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2549"><td></td><td><a href="/entries/PHUB002491">Hesperetin-7-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002491</td><td>2549</td><td>464.131861593</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Hesperetin-7-glucoside</td><td class="structure"><img data-src="/structures/PHUB002491/image.svg" src="" /></td><td>ADSYMQORONDIDD-KTTVMXGCSA-N</td><td></td><td></td><td>464.423</td><td>1.32e+00 g/l</td><td>0.14</td><td>-2.54</td><td>InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15?,17-,19-,20+,21-,22-/m1/s1</td><td>COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000380">Hesperetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002491">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2550"><td></td><td><a href="/entries/PHUB002492">adlupulone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002492</td><td>2550</td><td>414.277009704</td><td>C<sub>26</sub>H<sub>38</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002492/image.svg" src="" /></td><td>QXPOWGXRDUFAQW-UHFFFAOYSA-N</td><td>28374-71-2</td><td></td><td>414.586</td><td>8.12e-03 g/l</td><td>4.42</td><td>-4.71</td><td>InChI=1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19,28-29H,9,11,14-15H2,1-8H3</td><td>CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O</td><td></td><td></td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002492">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2551"><td></td><td><a href="/entries/PHUB002493">Cohumulone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002493</td><td>2551</td><td>348.193674002</td><td>C<sub>20</sub>H<sub>28</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,6-Trihydroxy-2-isobutanoyl-4,6-diprenyl-2,4-cyclohexadien-1-one; 3,5,6-Trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(2-methyl-1-oxopropyl)-2,4-cyclohexadien-1-one.</td><td class="structure"><img data-src="/structures/PHUB002493/image.svg" src="" /></td><td>DRSITEVYZGOOQG-UHFFFAOYSA-N</td><td>142628-20-4</td><td></td><td>348.439</td><td>1.65e-01 g/l</td><td>1.97</td><td>-3.33</td><td>InChI=1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3</td><td>CC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(O)(CC=C(C)C)C1=O</td><td></td><td></td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002493">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2553"><td></td><td><a href="/entries/PHUB002495">Adhumulone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002495</td><td>2553</td><td>362.209324066</td><td>C<sub>21</sub>H<sub>30</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5,6-Trihydroxy-4,6-bis(3-methyl-2-butenyl)-2-(2-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one</td><td class="structure"><img data-src="/structures/PHUB002495/image.svg" src="" /></td><td>LDXMPKMQIKGJFN-UHFFFAOYSA-N</td><td>1128114-86-2</td><td></td><td>362.466</td><td>1.30e-01 g/l</td><td>2.24</td><td>-3.45</td><td>InChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14,23-24,26H,7,9,11H2,1-6H3</td><td>CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(O)(CC=C(C)C)C1=O</td><td></td><td></td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002495">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2554"><td></td><td><a href="/entries/PHUB002496">colupulone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002496</td><td>2554</td><td>400.261359639</td><td>C<sub>25</sub>H<sub>36</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-Dihydroxy-4,6,6-tris(3-methyl-2-butenyl)-2-(2-methyl-1-oxopropyl)-2,4-cyclohexadien-1-one</td><td class="structure"><img data-src="/structures/PHUB002496/image.svg" src="" /></td><td>UNCDMWKTFLUPHZ-UHFFFAOYSA-N</td><td>468-27-9</td><td></td><td>400.559</td><td>1.05e-02 g/l</td><td>4.10</td><td>-4.58</td><td>InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3</td><td>CC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O</td><td></td><td></td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002496">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2556"><td></td><td><a href="/entries/PHUB002498">cis-isohumulone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002498</td><td>2556</td><td>362.209324066</td><td>C<sub>21</sub>H<sub>30</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(+)-cis-isohumulone</td><td class="structure"><img data-src="/structures/PHUB002498/image.svg" src="" /></td><td>QARXXMMQVDCYGZ-YCRPNKLZSA-N</td><td></td><td></td><td>362.466</td><td>7.25e-02 g/l</td><td>2.49</td><td>-3.70</td><td>InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3/t15-,21+/m0/s1</td><td>CC(C)CC(=O)C1=C(O)[C@@](O)([C@@H](CC=C(C)C)C1=O)C(=O)CC=C(C)C</td><td></td><td></td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002498">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2557"><td></td><td><a href="/entries/PHUB002499">trans-isohumulone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002499</td><td>2557</td><td>348.23005951</td><td>C<sub>21</sub>H<sub>32</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002499/image.svg" src="" /></td><td>POFRHKDUZOOOAR-KKSFZXQISA-N</td><td></td><td>(4S,5R)-3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)-4-(4-methylpent-3-en-1-yl)cyclopent-2-en-1-one</td><td>348.483</td><td>5.36e-02 g/l</td><td>3.30</td><td>-3.81</td><td>InChI=1S/C21H32O4/c1-13(2)8-7-11-21(25)16(10-9-14(3)4)19(23)18(20(21)24)17(22)12-15(5
8)6/h8-9,15-16,24-25H,7,10-12H2,1-6H3/t16-,21-/m0/s1</td><td>CC(C)CC(=O)C1=C(O)[C@](O)(CCC=C(C)C)[C@@H](CC=C(C)C)C1=O</td><td>-3.646008634187567</td><td>1.7747003794838416</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002499">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2558"><td></td><td><a href="/entries/PHUB002500">cis-humulinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002500</td><td>2558</td><td>266.151809188</td><td>C<sub>15</sub>H<sub>22</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002500/image.svg" src="" /></td><td>PPIJHFDNRWNWJU-LNUXAPHWSA-N</td><td></td><td>(4R)-3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclopent-2-en-1-one</td><td>266.337</td><td>1.29e+00 g/l</td><td>1.82</td><td>-2.32</td><td>InChI=1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9-10,14,18-19H,6-7H2,1-4H3/t10?,14-/m1/s1</td><td>CC(C)CC(=O)C1=C(O)[C@H](O)C(CC=C(C)C)C1=O</td><td>-3.4954374333487084</td><td>1.8214230723220943</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002500">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2559"><td></td><td><a href="/entries/PHUB002501">trans-isohumulinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002501</td><td>2559</td><td>266.151809188</td><td>C<sub>15</sub>H<sub>22</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002501/image.svg" src="" /></td><td>PPIJHFDNRWNWJU-SBNLOKMTSA-N</td><td></td><td>(4S)-3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)cyclopent-2-en-1-one</td><td>266.337</td><td>1.29e+00 g/l</td><td>1.82</td><td>-2.32</td><td>InChI=1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9-10,14,18-19H,6-7H2,1-4H3/t10?,14-/m0/s1</td><td>CC(C)CC(=O)C1=C(O)[C@@H](O)C(CC=C(C)C)C1=O</td><td>-3.4954374333487084</td><td>1.8214230723220943</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002501">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2560"><td></td><td><a href="/entries/PHUB002502">Hulupone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002502</td><td>2560</td><td>332.198759382</td><td>C<sub>20</sub>H<sub>28</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002502/image.svg" src="" /></td><td>YDAFVJGIRJZGKB-UHFFFAOYSA-N</td><td>468-62-2</td><td>4-hydroxy-2,2-bis(3-methylbut-2-en-1-yl)-5-(3-methylbutanoyl)cyclopent-4-ene-1,3-dione</td><td>332.44</td><td>2.46e-02 g/l</td><td>3.18</td><td>-4.13</td><td>InChI=1S/C20H28O4/c1-12(2)7-9-20(10-8-13(3)4)18(23)16(17(22)19(20)24)15(21)11-14(5)6/h7-8,14,22H,9-11H2,1-6H3</td><td>[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](=O)C([#6]\[#6]=[#6](/[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6]-1=O |c:6|</td><td>-6.271970445206039</td><td>3.329422850466304</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002502">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2561"><td></td><td><a href="/entries/PHUB002503">Luputrione</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002503</td><td>2561</td><td>336.23005951</td><td>C<sub>20</sub>H<sub>32</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002503/image.svg" src="" /></td><td>HBLQVNYTMAIJTL-UHFFFAOYNA-N</td><td></td><td>2,4-dihydroxy-3,3-bis(3-methylbut-2-en-1-yl)-5-(3-methylbutanoyl)cyclopentan-1-one</td><td>336.472</td><td>2.65e-01 g/l</td><td>2.70</td><td>-3.10</td><td>InChI=1/C20H32O4/c1-12(2)7-9-20(10-8-13(3)4)18(23)16(17(22)19(20)24)15(21)11-14(5)6/h7-8,14,16,18-19,23-24H,9-11H2,1-6H3</td><td>CC(C)CC(=O)C1C(O)C(CC=C(C)C)(CC=C(C)C)C(O)C1=O</td><td>-3.23312417515791</td><td>8.746571574033199</td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002503">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2562"><td></td><td><a href="/entries/PHUB002504">desmethylxanthohumol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002504</td><td>2562</td><td>340.131073744</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(4-Hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propen-1-one</td><td class="structure"><img data-src="/structures/PHUB002504/image.svg" src="" /></td><td>FUSADYLVRMROPL-UXBLZVDNSA-N</td><td>115063-39-3</td><td></td><td>340.375</td><td>
81.08e-02 g/l</td><td>3.53</td><td>-4.50</td><td>InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+</td><td>CC(C)=CCC1=C(O)C=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O</td><td></td><td></td><td><a href="/food_sources/14">Beer</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002504">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2563"><td></td><td><a href="/entries/PHUB002505">Phloretin-2'-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002505</td><td>2563</td><td>422.121296908</td><td>C<sub>20</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Dihydrochalcones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002505/image.svg" src="" /></td><td>YXBXUTMROSSOKN-UHFFFAOYNA-N</td><td></td><td>1-{2,4-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]phenyl}-3-(4-hydroxyphenyl)propan-1-one</td><td>422.386</td><td>2.00e+00 g/l</td><td>0.51</td><td>-2.32</td><td>InChI=1/C20H22O10/c21-10-4-1-9(2-5-10)3-6-12(23)15-13(24)7-11(22)8-14(15)29-20-18(27)16(25)17(26)19(28)30-20/h1-2,4-5,7-8,16-22,24-28H,3,6H2</td><td>OC1OC(OC2=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=CC(O)=C2)C(O)C(O)C1O</td><td>-3.711791307798203</td><td>7.869467364453195</td><td><a href="/food_sources/168">Cider</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002505">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2564"><td></td><td><a href="/entries/PHUB002506">5-hydroxymethyl-2-furaldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002506</td><td>2564</td><td>126.031694053</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-hydroxymethylfurfural</td><td class="structure"><img data-src="/structures/PHUB002506/image.svg" src="" /></td><td>NOEGNKMFWQHSLB-UHFFFAOYSA-N</td><td>67-47-0</td><td></td><td>126.111</td><td>3.11e+01 g/l</td><td>-0.17</td><td>-0.61</td><td>InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2</td><td>[H]C(=O)C1=CC=C(CO)O1</td><td></td><td></td><td><a href="/food_sources/287">Whisky</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002506">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2569"><td></td><td><a href="/entries/PHUB002511">3-O-Caffeoyl-1,5-quinide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002511</td><td>2569</td><td>336.084517475</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002511/image.svg" src="" /></td><td>FXXATDNXMJKMSF-DUXPYHPUNA-N</td><td></td><td>1,4-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>336.296</td><td>2.75e+00 g/l</td><td>0.19</td><td>-2.09</td><td>InChI=1/C16H16O8/c17-9-3-1-8(5-10(9)18)2-4-13(19)23-11-6-16(22)7-12(14(11)20)24-15(16)21/h1-5,11-12,14,17-18,20,22H,6-7H2/b4-2+</td><td>[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC2(O)CC(OC2=O)C1O</td><td>-3.6038730570917594</td><td>9.208105557869851</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002511">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2570"><td></td><td><a href="/entries/PHUB002512">4-O-Caffeoyl-1,5-quinide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002512</td><td>2570</td><td>336.084517475</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002512/image.svg" src="" /></td><td>BMSNCTFPYHTXGU-DUXPYHPUNA-N</td><td></td><td>1,3-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>336.296</td><td>2.71e+00 g/l</td><td>0.20</td><td>-2.09</td><td>InChI=1/C16H16O8/c17-9-3-1-8(5-10(9)18)2-4-13(20)24-14-11(19)6-16(22)7-12(14)23-15(16)21/h1-5,11-12,14,17-19,22H,6-7H2/b4-2+</td><td>[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1C2CC(O)(CC1O)C(=O)O2</td><td>-3.2468774105273144</td><td>9.208140363085006</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002512">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2571"><td></td><td><a href="/entries/PHUB002513">1,3-trans-Tetrahydroxyphenylindan</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002513</td><td>2571</td><td>272.104858995</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002513/image.svg" src="" /></td><td>MZUDWHMQONDZTO-JUMNBNQXNA-N</td><td></td><td>(1S)-1-(3,4-dihydroxyphenyl)-3-methyl-2,3-dihydro-1H-indene-5,6-diol</td><td>272.3</td><td>5.42e-02 g/l</td><td>2.49</td><td>-3.70</td><td>InChI=1/C16H16O4/c1-8-4-11(9-2-3-13(17)14(18)5-9)12-7-16(20)15(19)6-10(8)12/h2-3,5-8,11,17-20H,4H2,1H3/t8?,11-/s2</td><td>CC1C[C@H](C2=C1C=C(O)C(O)=C2)C1=CC=C(O)C(O)=C1</td><td>-6.259063655824907</td><td>9.146848750852715</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002513">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2572"><td></td><td><a href="/entries/PHUB002514">1,3-cis-Tetrahydroxyphenylindan</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002514</td><td>2572</td><td>272.104858995</td><td>C<sub>16</sub>H<sub>16</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002514/image.svg" src="" /></td><td>MZUDWHMQONDZTO-JUMNBNQXNA-N</td><td></td><td>(1R)-1-(3,4-dihydroxyphenyl)-3-methyl-2,3-dihydro-1H-indene-5,6-diol</td><td>272.3</td><td>5.42e-02 g/l</td><td>2.49</td><td>-3.70</td><td>InChI=1/C16H16O4/c1-8-4-11(9-2-3-13(17)14(18)5-9)12-7-16(20)15(19)6-10(8)12/h2-3,5-8,11,17-20H,4H2,1H3/t8?,11-/s2</td><td>CC1C[C@@H](C2=C1C=C(O)C(O)=C2)C1=CC=C(O)C(O)=C1</td><td>-6.259063655824907</td><td>9.146848750852715</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002514">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2573"><td></td><td><a href="/entries/PHUB002515">Nicotinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>Nicotinic acid</td><td>PHUB002515</td><td>2573</td><td>123.032028405</td><td>C<sub>6</sub>H<sub>5</sub>NO<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>3-carboxylpyridine; 3-pyridinecarboxylic acid; anti-pellagra vitamin; m-pyridinecarboxylic acid; Niacin; pyridine-3-carboxylic acid; Vitamin B3; β-pyridinecarboxylic acid</td><td class="structure"><img data-src="/structures/PHUB002515/image.svg" src="" /></td><td>PVNIIMVLHYAWGP-UHFFFAOYSA-N</td><td>59-67-6</td><td>pyridine-3-carboxylic acid</td><td>123.111</td><td>8.31e+01 g/l</td><td>0.29</td><td>-0.17</td><td>InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)</td><td>OC(=O)C1=CC=CN=C1</td><td>3.083410443267494</td><td>3.8954508324300074</td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002515">Nicotinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002515">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2575"><td></td><td><a href="/entries/PHUB002517">1,2-Dimethylpyridinium</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002517</td><td>2575</td><td>108.080775746</td><td>C<sub>7</sub>H<sub>10</sub>N</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002517/image.svg" src="" /></td><td>UMZDENILBZKMFY-UHFFFAOYSA-N</td><td></td><td>1,2-dimethylpyridin-1-ium</td><td>108.163</td><td>3.84e-02 g/l</td><td>-3.30</td><td>-3.57</td><td>InChI=1S/C7H10N/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/q+1</td><td>CC1=CC=CC=[N+]1C</td><td></td><td></td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002517">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2576"><td></td><td><a href="/entries/PHUB002518">Furfuryl mercaptan</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-Furanmethanethiol</td><td>PHUB002518</td><td>2576</td><td>114.013935987</td><td>C<sub>5</sub>H<sub>6</sub>OS</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-(Mercaptomethyl)furan; 2-Furanmethanethiol; 2-Furfuryl mercaptan</td><td class="structure"><img data-src="/structures/PHUB002518/image.svg" src="" /></td><td>ZFFTZDQKIXPDAF-UHFFFAOYSA-N</td><td>98-02-2</td><td></td><td>114.16</td><td>5.01e-01 g/l</td><td>1.68</td><td>-2.36</td><td>InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2</td><td>SCC1=CC=CO1</td><td></td><td></td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002518">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2577"><td></td><td><a href="/entries/PHUB002519">3-Hydroxy-4,5-dimethylfuran-2-one</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002519</td><td>2577</td><td>128.047344118</td><td>C<sub>6</sub>H<sub>8</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Hydroxy-4,5-dimethyl-2(5H)-furanone; 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one; sotolone</td><td class="structure"><img data-src="/structures/PHUB002519/image.svg" src="" /></td><td>UNYNVICDCJHOPO-UHFFFAOYNA-N</td><td></td><td>3-hydroxy-4,5-dimethyl-2,5-dihydrofuran-2-one</td><td>128.127</td><td>2.18e+02 g/l</td><td>-0.14</td><td>0.23</td><td>InChI=1/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3</td><td>CC1OC(=O)C(O)=C1C</td><td>-3.0517646399019753</td><td>8.545224050591615</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002519">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2578"><td></td><td><a href="/entries/PHUB002520">2-Ethyl-3,5-dimethypyrazine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002520</td><td>2578</td><td>136.100048394</td><td>C<sub>8</sub>H<sub>12</sub>N<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002520/image.svg" src="" /></td><td>JZBCTZLGKSYRSF-UHFFFAOYSA-N</td><td></td><td>2-ethyl-3,5-dimethylpyrazine</td><td>136.198</td><td>2.15e+01 g/l</td><td>1.59</td><td>-0.80</td><td>InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3</td><td>CCC1=C(C)N=C(C)C=N1</td><td>2.0188851388263607</td><td></td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002520">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2579"><td></td><td><a href="/entries/PHUB002521">Isovaleraldehyde</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002521</td><td>2579</td><td>86.073164942</td><td>C<sub>5</sub>H<sub>10</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-methylbutanal; 3-methylbutyraldehyde; Isoamyl aldehyde; Isopentaldehyde; Isovaleral</td><td class="structure"><img data-src="/structures/PHUB002521/image.svg" src="" /></td><td> YGHRJJRRZDOVPD-UHFFFAOYSA-N</td><td>590-86-3</td><td></td><td>86.134</td><td>1.70e+01 g/l</td><td>1.29</td><td>-0.71</td><td>InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3</td><td>[H]C(=O)CC(C)C</td><td>-6.950085545908737</td><td>18.302571478581456</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002521">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2580"><td></td><td><a href="/entries/PHUB002522">Kahweofuran</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002522</td><td>2580</td><td>140.029586052</td><td>C<sub>7</sub>H<sub>8</sub>OS</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,3-Dihydro-6-methylthieno[2,3-c]furan; 4-Methyl-3-oxa-6-thiabicyclo[3.3.0]octa-1,4-diene</td><td class="structure"><img data-src="/structures/PHUB002522/image.svg" src="" /></td><td> WQOKVCDOEDFSAJ-UHFFFAOYSA-N</td><td>26693-24-3</td><td></td><td>140.2</td><td>2.91e-01 g/l</td><td>2.30</td><td>-2.68</td><td>InChI=1S/C7H8OS/c1-5-7-6(4-8-5)2-3-9-7/h4H,2-3H2,1H3</td><td>CC1=C2SCCC2=CO1</td><td>-2.705758759069871</td><td></td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002522">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2581"><td></td><td><a href="/entries/PHUB002523">Cyclo(pro-ile)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002523</td><td>2581</td><td>196.121177763</td><td>C<sub>10</sub>H<sub>16</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002523/image.svg" src="" /></td><td>XHSJAENZJRHKAH-UHFFFAOYNA-N</td><td></td><td>3-propyl-octahydropyrrolo[1,2-a]pyrazine-1,4-dione</td><td>196.25</td><td>1.09e+02 g/l</td><td>-0.09</td><td>-0.26</td><td>InChI=1/C10H16N2O2/c1-2-4-7-10(14)12-6-3-5-8(12)9(13)11-7/h7-8H,2-6H2,1H3,(H,11,13)</td><td>CCCC1NC(=O)C2CCCN2C1=O</td><td>-3.588652962634753</td><td>11.405348038728444</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002523">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2582"><td></td><td><a href="/entries/PHUB002524">Cyclo(pro-leu)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002524</td><td>2582</td><td>210.136827828</td><td>C<sub>11</sub>H<sub>18</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cyclo(leucylprolyl); Gancidin W; Hexahydro-3-(2-methylpropyl)pyrrolo[1,2a]pyrazine-1,4-dione</td><td class="structure"><img data-src="/structures/PHUB002524/image.svg" src="" /></td><td>SZJNCZMRZAUNQT-UHFFFAOYNA-N</td><td>5654-86-4, 2873-36-1</td><td></td><td>210.277</td><td>4.46e+01 g/l</td><td>0.21</td><td>-0.67</td><td>InChI=1/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)</td><td>CC(C)CC1NC(=O)C2CCCN2C1=O</td><td></td><td></td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002524">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2583"><td></td><td><a href="/entries/PHUB002525">Cyclo(pro-phe)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002525</td><td>2583</td><td>244.121177763</td><td>C<sub>14</sub>H<sub>16</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione; Cyclo(phenylalanylprolyl); Hexahydro-3-(phenylmethyl)pyrrolo[1,2-a]pyrazine-1,4-dione; Phenylalanylproline anhydride</td><td class="structure"><img data-src="/structures/PHUB002525/image.svg" src="" /></td><td>QZBUWPVZSXDWSB-UHFFFAOYNA-N</td><td>14705-60-3</td><td>3-benzyl-octahydropyrrolo[1,2-a]pyrazine-1,4-dione</td><td>244.294</td><td>2.92e+00 g/l</td><td>0.60</td><td>-1.92</td><td>InChI=1/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)</td><td>O=C1NC(CC2=CC=CC=C2)C(=O)N2CCCC12</td><td>-4.042930894130713</td><td>11.28093034444007</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002525">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2584"><td></td><td><a href="/entries/PHUB002526">Cyclo(pro-pro)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione</td><td>PHUB002526</td><td>2584</td><td>194.105527699</td><td>C<sub>10</sub>H<sub>14</sub>N<sub>2</sub>O<sub>2</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>cyclo-(prolyl-prolyl); Octahydro-5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione,; octahydro-dipyrrolo(1,2-a-1',2'-d)pyrazine-5,10-dione; Prolinanhydrid; proline diketopiperazine; Prolylproline anhydride</td><td class="structure"><img data-src="/structures/PHUB002526/image.svg" src="" /></td><td>BKASXWPLSXFART-UHFFFAOYNA-N</td><td>6708-06-1</td><td>1,7-diazatricyclo[7.3.0.0^{3,7}]dodecane-2,8-dione</td><td>194.234</td><td></td><td></td><td></td><td>InChI=1/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2</td><td>O=C1C2CCCN2C(=O)C2CCCN12</td><td>-3.639356249779403</td><td>19.602194775585776</td><td><a href="/food_sources/39">Coffee</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002526">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2585"><td></td><td><a href="/entries/PHUB002527">Feniculin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002527</td><td>2585</td><td>202.1357652</td><td>C<sub>14</sub>H<sub>18</sub>O</td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002527/image.svg" src="" /></td><td>JGELFJUQMIUNOO-PLNGDYQASA-N</td><td>78259-41-3</td><td>1-[(3-methylbut-2-en-1-yl)oxy]-4-[(1Z)-prop-1-en-1-yl]benzene</td><td>202.297</td><td>1.87e-02 g/l</td><td>4.76</td><td>-4.03</td><td>InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4-10H,11H2,1-3H3/b5-4-</td><td>C\C=C/C1=CC=C(OCC=C(C)C)C=C1</td><td>-4.857531052651331</td><td></td><td><a href="/food_sources/271">Star anise</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002527">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2586"><td></td><td><a href="/entries/PHUB002528">Matesaponin 2</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-Hydroxy-12-ursen-28-oic acid; 3β-form, 3-O-[β-D-Glucopyranosyl-(1â3)-[α-L-rhamnopyranosyl-(1â2)]-α-L-arabinopyranoside], 28-O-β-D-glucopyranosyl ester</td><td>PHUB002528</td><td>2586</td><td>1058.566159789</td><td>C<sub>53</sub>H<sub>86</sub>O<sub>21</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Hydroxy-12-ursen-28-oic acid; 3β-form, 3-O-[β-D-Glucopyranosyl-(1â3)-[α-L-rhamnopyranosyl-(1â2)]-α</td><td class="structure"><img data-src="/structures/PHUB002528/image.svg" src="" /></td><td>ZGNBKNDOCCHRSM-UHFFFAOYNA-N</td><td>164178-27-2</td><td></td><td>1059.25</td><td>3.97e-01 g/l</td><td>1.42</td><td>-3.43</td><td>InChI=1/C53H86O21/c1-22-11-16-53(48(66)74-46-41(65)38(62)35(59)28(20-55)70-46)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)71-47-43(73-44-39(63)36(60)33(57)24(3)68-44)42(26(56)21-67-47)72-45-40(64)37(61)34(58)27(19-54)69-45/h9,22-24,26-47,54-65H,10-21H2,1-8H3</td><td>CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(O)C1O</td><td></td><td></td><td><a href="/food_sources/337">Mate</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002528">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2587"><td></td><td><a href="/entries/PHUB002529">Matesaponin 3</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td> 3-Hydroxy-12-ursen-28-oic acid; 3β-form, 3-O-[β-D-Glucopyranosyl-(1â3)-α-L-arabinopyranoside], 28-O-[β-D-glucopyranosyl-(1â6)-β-D-glucopyranosyl] ester</td><td>PHUB002529</td><td>2587</td><td>1074.561074409</td><td>C<sub>53</sub>H<sub>86</sub>O<sub>22</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Araliasaponin X</td><td class="structure"><img data-src="/structures/PHUB002529/image.svg" src="" /></td><td>OOTPRIVIWDPPAS-UHFFFAOYNA-N</td><td>164178-28-3</td><td></td><td>1075.249</td><td>4.96e-01 g/l</td><td>0.65</td><td>-3.34</td><td>InChI=1/C53H86O22/c1-22-10-15-53(48(67)75-47-41(65)38(62)35(59)28(72-47)21-69-44-39(63)36(60)33(57)26(18-54)70-44)17-16-51(6)24(32(53)23(22)2)8-9-30-50(5)13-12-31(49(3,4)29(50)11-14-52(30,51)7)73-45-42(66)43(25(56)20-68-45)74-46-40(64)37(61)34(58)27(19-55)71-46/h8,22-23,25-47,54-66H,9-21H2,1-7H3</td><td>CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O</td><td></td><td></td><td><a href="/food_sources/337">Mate</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002529">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2588"><td></td><td><a href="/entries/PHUB002530">Matesaponin 4</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-Hydroxy-12-ursen-28-oic acid; 3β-form, 3-O-[β-D-Glucopyranosyl-(1â3)-[α-L-rhamnopyranosyl-(1â2)]-α-L-arabinopyranoside], 28-O-[β-D-glucopyranosyl-(1â6)-β-D-glucopyranosyl] ester</td><td>PHUB002530</td><td>2588</td><td>1220.618983211</td><td>C<sub>59</sub>H<sub>96</sub>O<sub>26</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002530/image.svg" src="" /></td><td>KIDKFTVXSGGWRY-UHFFFAOYNA-N</td><td>164178-29-4</td><td></td><td>1221.391</td><td>
81.04e+00 g/l</td><td>0.55</td><td>-3.07</td><td>InChI=1/C59H96O26/c1-23-11-16-59(54(75)85-52-46(74)42(70)38(66)30(81-52)22-77-49-43(71)40(68)36(64)28(19-60)79-49)18-17-57(7)26(34(59)24(23)2)9-10-32-56(6)14-13-33(55(4,5)31(56)12-15-58(32,57)8)82-53-48(84-50-44(72)39(67)35(63)25(3)78-50)47(27(62)21-76-53)83-51-45(73)41(69)37(65)29(20-61)80-51/h9,23-25,27-53,60-74H,10-22H2,1-8H3</td><td> CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |c:9|</td><td></td><td></td><td><a href="/food_sources/337">Mate</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002530">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2590"><td></td><td><a href="/entries/PHUB002532">Orientin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002532</td><td>2590</td><td>448.100561464</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002532/image.svg" src="" /></td><td>PLAPMLGJVGLZOV-VPRICQMDSA-N</td><td>28608-75-5</td><td>2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one</td><td>448.38</td><td>2.18e+00 g/l</td><td>0.34</td><td>-2.31</td><td>InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=C(O)C(O)=C1</td><td>-2.9791926292654134</td><td>6.172660635500586</td><td><a href="/food_sources/133">Rooibos tea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002532">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2591"><td></td><td><a href="/entries/PHUB002533">1-methyluric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1-methyluric acid</td><td>PHUB002533</td><td>2591</td><td>182.043990069</td><td>C<sub>6</sub>H<sub>6</sub>N<sub>4</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002533/image.svg" src="" /></td><td>QFDRTQONISXGJA-UHFFFAOYSA-N</td><td>708-79-2</td><td>1-methyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione</td><td>182.139</td><td>3.23e+00 g/l</td><td>-1.15</td><td>-1.75</td><td>InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)</td><td>CN1C(=O)NC2=C(NC(=O)N2)C1=O</td><td>-6.168799154143619</td><td>7.671819121930137</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB002593">Cocoa purines</a> / <a href="/entries/PHUB000791">Theophylline</a> / <a href="/entries/PHUB002594">Coffee purines</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002533">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2592"><td></td><td><a href="/entries/PHUB002534">1,7-dimethyluricacid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,7-dimethyluricacid</td><td>PHUB002534</td><td>2592</td><td>196.059640134</td><td>C<sub>7</sub>H<sub>8</sub>N<sub>4</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002534/image.svg" src="" /></td><td>NOFNCLGCUJJPKU-UHFFFAOYSA-N</td><td>33868-03-0</td><td>1,7-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione</td><td>196.166</td><td>8.49e+00 g/l</td><td>-0.81</td><td>-1.36</td><td>InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)</td><td>CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2</td><td>-5.916247147951594</td><td>8.15845663955767</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB002593">Cocoa purines</a> / <a href="/entries/PHUB000790">Theobromine</a> / <a href="/entries/PHUB002594">Coffee purines</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002534">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2593"><td></td><td><a href="/entries/PHUB002535">3-methylxanthine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-methylxanthine</td><td>PHUB002535</td><td>2593</td><td>166.049075449</td><td>C<sub>6</sub>H<sub>6</sub>N<sub>4</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>2,6-Dihydroxy-3-methylpurine; 3,9-Dihydro-3-methyl-1H-purine-2,6-dione</td><td class="structure"><img data-src="/structures/PHUB002535/image.svg" src="" /></td><td>GMSNIKWWOQHZGF-UHFFFAOYSA-N</td><td>1076-22-8</td><td>3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione</td><td>166.14</td><td>1.27e+01 g/l</td><td>-0.46</td><td>-1.12</td><td>InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)</td><td>CN1C2=C(NC=N2)C(=O)NC1=O</td><td>-0.7602900334586413</td><td>7.856556089951798</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB000790">Theobromine</a> / <a href="/entries/PHUB000791">Theophylline</a> / <a href="/entries/PHUB002593">Cocoa purines</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002535">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2594"><td></td><td><a href="/entries/PHUB002536">7-methylxanthine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>7-methylxanthine</td><td>PHUB002536</td><td>2594</td><td>166.049075449</td><td>C<sub>6</sub>H<sub>6</sub>N<sub>4</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>3,7-dihydro-7-methyl-1H-purine-2,6-dione; 7-Methylxanthin; 7-methylxanthine; Heteroxanthin; Heteroxanthine</td><td class="structure"><img data-src="/structures/PHUB002536/image.svg" src="" /></td><td>PFWLFWPASULGAN-UHFFFAOYSA-N</td><td>552-62-5</td><td>7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione</td><td>166.14</td><td>7.00e+00 g/l</td><td>-0.59</td><td>-1.38</td><td>InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)</td><td>CN1C=NC2=C1C(=O)NC(=O)N2</td><td>-1.084258672310568</td><td>9.275646253683671</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB002593">Cocoa purines</a> / <a href="/entries/PHUB000790">Theobromine</a> / <a href="/entries/PHUB002594">Coffee purines</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002536">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2596"><td></td><td><a href="/entries/PHUB002538">7-methyluric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>7-methyluricacid</td><td>PHUB002538</td><td>2596</td><td>182.043990069</td><td>C<sub>6</sub>H<sub>6</sub>N<sub>4</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>7-Methylate; 7-Methylic acid</td><td class="structure"><img data-src="/structures/PHUB002538/image.svg" src="" /></td><td>YHNNPKUFPWLTOP-UHFFFAOYSA-N</td><td></td><td></td><td>182.139</td><td>3.71e+00 g/l</td><td>-1.03</td><td>-1.69</td><td>InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)</td><td>CN1C(=O)NC2=C1C(=O)NC(=O)N2</td><td></td><td></td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB002593">Cocoa purines</a> / <a href="/entries/PHUB000790">Theobromine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002538">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2597"><td></td><td><a href="/entries/PHUB002539">3-Methyluric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methyluric acid</td><td>PHUB002539</td><td>2597</td><td>182.043990069</td><td>C<sub>6</sub>H<sub>6</sub>N<sub>4</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>3-Methyl-2,6,8-trioxopurine; 3-Methyl-7,9-dihydro-3H-purine-2,6,8-trione; 3-Methylate; 3-Methylic acid; 3-Methylurate; 4,9-dihydro-3-Methyl-1H-purine-2,6,8(3H)-trione</td><td class="structure"><img data-src="/structures/PHUB002539/image.svg" src="" /></td><td>ODCYDGXXCHTFIR-UHFFFAOYSA-N</td><td>605-99-2</td><td>3-methyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione</td><td>182.139</td><td>3.79e+00 g/l</td><td>-1.04</td><td>-1.68</td><td>InChI=1S/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13)</td><td>CN1C2=C(NC(=O)N2)C(=O)NC1=O</td><td>-6.27719813085581</td><td>7.662614418431495</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002539">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2598"><td></td><td><a href="/entries/PHUB002540">6-Amino-5(N-methylformylamino)-1-methyluracil</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002540</td><td>2598</td><td>198.075290198</td><td>C<sub>7</sub>H<sub>10</sub>N<sub>4</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002540/image.svg" src="" /></td><td>QIZKPABLZVWFOE-UHFFFAOYSA-N</td><td></td><td>N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylformamide</td><td>198.182</td><td></td><td></td><td></td><td>InChI=1S/C7H10N4O3/c1-10(3-12)4-5(8)11(2)7(14)9-6(4)13/h3H,8H2,1-2H3,(H,9,13,14)</td><td>CN(C=O)C1=C(N)N(C)C(=O)NC1=O</td><td>-3.976166792183044</td><td>8.90922217321443</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB000790">Theobromine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002540">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2599"><td></td><td><a href="/entries/PHUB002541">4-Amino-(5-formylmethyl- amino) 1,3-dimethyluracil</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Amino-(5-formylmethyl- amino) 1,3-dimethyluracil </td><td>PHUB002541</td><td>2599</td><td>198.075290198</td><td>C<sub>7</sub>H<sub>10</sub>N<sub>4</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002541/image.svg" src="" /></td><td>ZNDGAXCBZGSJGU-UHFFFAOYSA-N</td><td></td><td>N-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)formamide</td><td>198.182</td><td>1.09e+01 g/l</td><td>-1.66</td><td>-1.26</td><td>InChI=1S/C7H10N4O3/c1-10-5(8)4(9-3-12)6(13)11(2)7(10)14/h3H,8H2,1-2H3,(H,9,12)</td><td>CN1C(=O)N(C)C(=O)C(NC=O)=C1N</td><td>-3.9510378438645817</td><td>12.561728624444427</td><td></td><td><a href="/entries/PHUB000789">Caffeine</a> / <a href="/entries/PHUB002593">Cocoa purines</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002541">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2602"><td></td><td><a href="/entries/PHUB002544">Cyanidin-3-O-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002544</td><td>2602</td><td>449.107837916</td><td>C<sub>21</sub>H<sub>21</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cyanidin-3-galactoside</td><td class="structure"><img data-src="/structures/PHUB002544/image.svg" src="" /></td><td>RKWHWFONKJEUEF-UHFFFAOYSA-O</td><td></td><td></td><td>449.387</td><td>6.04e-01 g/l</td><td>0.98</td><td>-2.90</td><td>InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1</td><td>O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO</td><td></td><td></td><td><a href="/food_sources/165">Blueberry</a> / <a href="/food_sources/318">Cranberry</a> / <a href="/food_sources/95">Mango</a></td><td><a href="/entries/PHUB000502">Cyanidin 3-O-galactoside</a> / <a href="/entries/PHUB002544">Cyanidin-3-O-galactoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002544">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2603"><td></td><td><a href="/entries/PHUB002545">Maclurin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002545</td><td>2603</td><td>262.047738042</td><td>C<sub>13</sub>H<sub>10</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3,4-Dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone,; 2,3',4,4',6-Pentahydroxybenzophenone; Laguncurin; Moringerbic acid</td><td class="structure"><img data-src="/structures/PHUB002545/image.svg" src="" /></td><td>XNWPXDGRBWJIES-UHFFFAOYSA-N</td><td>519-34-6</td><td></td><td>262.217</td><td>3.82e-01 g/l</td><td>1.69</td><td>-2.84</td><td>InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H</td><td>Oc1cc(O)c(C(=O)c2ccc(O)c(O)c2)c(O)c1</td><td></td><td></td><td><a href="/food_sources/95">Mango</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002545">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2604"><td></td><td><a href="/entries/PHUB002546">Iriflophenone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002546</td><td>2604</td><td>246.052823422</td><td>C<sub>13</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone; 2,4,4',6-Tetrahydroxybenzophenone; Iriflopheone</td><td class="structure"><img data-src="/structures/PHUB002546/image.svg" src="" /></td><td>AOJWDTJDEGSHOA-UHFFFAOYSA-N</td><td>52591-10-3</td><td>2-(4-hydroxybenzoyl)benzene-1,3,5-triol</td><td>246.218</td><td>3.20e-01 g/l</td><td>2.11</td><td>-2.89</td><td>InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H</td><td>OC1=CC=C(C=C1)C(=O)C1=C(O)C=C(O)C=C1O</td><td>-6.3307677401925835</td><td>6.90738249995495</td><td><a href="/food_sources/95">Mango</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002546">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2605"><td></td><td><a href="/entries/PHUB002547">5-(12-Heptadecenyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002547</td><td>2605</td><td>346.287180464</td><td>C<sub>23</sub>H<sub>38</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>5-(heptadec-12-enyl)resorcinol</td><td class="structure"><img data-src="/structures/PHUB002547/image.svg" src="" /></td><td>KDUIMXINOLVPCT-WAYWQWQTSA-N</td><td>103462-06-2</td><td></td><td>346.555</td><td>1.64e-04 g/l</td><td>8.74</td><td>-6.32</td><td>InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,18-20,24-25H,2-4,7-17H2,1H3/b6-5-</td><td>CCCC\C=C/CCCCCCCCCCCc1cc(O)cc(O)c1</td><td></td><td>9.359032641624808</td><td><a href="/food_sources/95">Mango</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002547">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2608"><td></td><td><a href="/entries/PHUB002550">Aloe-emodin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002550</td><td>2608</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione; 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 3-(Hydroxymethyl)chrysazin; Aloeemodin; Rhabarberone</td><td class="structure"><img data-src="/structures/PHUB002550/image.svg" src="" /></td><td>YDQWDHRMZQUTBA-UHFFFAOYSA-N</td><td>481-72-1</td><td></td><td>270.24</td><td>3.01e-01 g/l</td><td>2.39</td><td>-2.95</td><td>InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2</td><td>OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1</td><td></td><td></td><td><a href="/food_sources/400">rhubarb</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002550">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2609"><td></td><td><a href="/entries/PHUB002551">Emodin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>1,3,8-Trihydroxy-6-methylanthraquinone</td><td>PHUB002551</td><td>2609</td><td>270.052823422</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>5</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3,8-trihydroxy-6-methyl-9,10-anthracenedione; 1,3,8-trihydroxy-6-methyl-9,10-anthraquinone</td><td class="structure"><img data-src="/structures/PHUB002551/image.svg" src="" /></td><td> RHMXXJGYXNZAPX-UHFFFAOYSA-N</td><td>518-82-1</td><td>1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione</td><td>270.24</td><td>2.22e-01 g/l</td><td>2.66</td><td>-3.09</td><td> InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3</td><td> Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1</td><td>-5.359786679140307</td><td>7.286292674874626</td><td><a href="/food_sources/217">Garden rhubarb</a> / <a href="/food_sources/400">rhubarb</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002551">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2610"><td></td><td><a href="/entries/PHUB002552">Chrysophanol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>1,8-Dihydroxy-3-methylanthraquinone</td><td>PHUB002552</td><td>2610</td><td>254.057908802</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,8-dihydroxy-3-methyl-9,10-anthracenedione; 3-methylchrysazin; Chrysophanic acid; chrysophanol</td><td class="structure"><img data-src="/structures/PHUB002552/image.svg" src="" /></td><td> LQGUBLBATBMXHT-UHFFFAOYSA-N</td><td>481-74-3</td><td>1,8-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione</td><td>254.241</td><td>1.25e-01 g/l</td><td>3.08</td><td>-3.31</td><td>InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3</td><td> Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1</td><td>-5.64676034239525</td><td>7.940475575263968</td><td><a href="/food_sources/217">Garden rhubarb</a> / <a href="/food_sources/400">rhubarb</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002552">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2611"><td></td><td><a href="/entries/PHUB002553">Rhein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>4,5-Dihydroxyanthraquinone-2-carboxylic acid</td><td>PHUB002553</td><td>2611</td><td>284.032087978</td><td>C<sub>15</sub>H<sub>8</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid; Chrysazin-3-carboxylic acid</td><td class="structure"><img data-src="/structures/PHUB002553/image.svg" src="" /></td><td>FCDLCPWAQCPTKC-UHFFFAOYSA-N</td><td>478-43-3</td><td>4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid</td><td>284.223</td><td>2.14e-01 g/l</td><td>2.18</td><td>-3.12</td><td>InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)</td><td>OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1</td><td>-5.646915529565238</td><td>3.3987740112758105</td><td><a href="/food_sources/217">Garden rhubarb</a> / <a href="/food_sources/400">rhubarb</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002553">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2612"><td></td><td><a href="/entries/PHUB002554">N-Methylpyridinium</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>N-Methylpyridinium</td><td>PHUB002554</td><td>2612</td><td>94.065125682</td><td>C<sub>6</sub>H<sub>8</sub>N</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>1-Methylpyridinium; 1-Methylpyridinium chloride; 1-Methylpyridinium iodide; 1-Methylpyridinium mu-iodotetraiododimercurate (1-); N-Methylpyridinium</td><td class="structure"><img data-src="/structures/PHUB002554/image.svg" src="" /></td><td>PQBAWAQIRZIWIV-UHFFFAOYSA-N</td><td>694-56-4</td><td>1-methylpyridin-1-ium</td><td>94.136</td><td>1.37e-01 g/l</td><td>-3.66</td><td>-2.98</td><td>InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1</td><td>C[N+]1=CC=CC=C1</td><td></td><td></td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002554">N-Methylpyridinium</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002554">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2614"><td></td><td><a href="/entries/PHUB002556">Nicotinamide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>Nicotinamide</td><td>PHUB002556</td><td>2614</td><td>122.048012821</td><td>C<sub>6</sub>H<sub>6</sub>N<sub>2</sub>O</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>3-carbamoylpyridine; 3-pyridinecarboxamide; m-(aminocarbonyl)pyridine; niacin; Niacinamide; niamide; nicotine amide; nicotinic acid amide; vitamin B3; vitamin PP; β-pyridinecarboxamide</td><td class="structure"><img data-src="/structures/PHUB002556/image.svg" src="" /></td><td>DFPAKSUCGFBDDF-UHFFFAOYSA-N</td><td>98-92-0</td><td>pyridine-3-carboxamide</td><td>122.127</td><td>5.01e+01 g/l</td><td>-0.45</td><td>-0.39</td><td>InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)</td><td>NC(=O)C1=CC=CN=C1</td><td>3.634895404358332</td><td>13.385761887715242</td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002556">Nicotinamide</a> / <a href="/entries/PHUB002555">N-Methylnicotinamide</a> / <a href="/entries/PHUB002561">2-pyridone-5-carboxamide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002556">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2615"><td></td><td><a href="/entries/PHUB002557">N-Methyl-4-pyridone-5-carboxamide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>N-Methyl-4-pyridone-5-carboxamide</td><td>PHUB002557</td><td>2615</td><td>152.058577506</td><td>C<sub>7</sub>H<sub>8</sub>N<sub>2</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>1-Methyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide; 1-Methyl-4-pyridone-3-carboximide; 1-Methyl-4-pyridone-5-carboxamide; 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide; 3-(Aminocarbonyl)-1-methyl-4(1H)-pyridone; 3-Pyridinecarboxamide, 1,4-dihydro-1-methyl-4-oxo-; 5-Aminocarbonyl-1-methyl-4(1H)-pyridone; N-methyl-4-pyridone-3-carboxamide; n-methyl-4-pyridone-5-carboxamide; N'-Methyl-4-pyridone-5-carboxamide; N'-Methyl-4-pyridone-5-carboxamide; N1-Methyl-4-pyridone-5-carboxamide</td><td class="structure"><img data-src="/structures/PHUB002557/image.svg" src="" /></td><td>KTLRWTOPTKGYQY-UHFFFAOYSA-N</td><td>769-49-3</td><td>1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide</td><td>152.153</td><td>1.15e+02 g/l</td><td>-1.02</td><td>-0.12</td><td>InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)</td><td>CN1C=CC(=O)C(=C1)C(N)=O</td><td>-1.101877609805792</td><td>15.726987756581185</td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002588">Coffee pyrimidines</a> / <a href="/entries/PHUB002557">N-Methyl-4-pyridone-5-carboxamide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002557">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2616"><td></td><td><a href="/entries/PHUB002558">N-methyl-2-pyridone-5-carboxamide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>N-methyl-2-pyridone-5-carboxamide</td><td>PHUB002558</td><td>2616</td><td>152.058577506</td><td>C<sub>7</sub>H<sub>8</sub>N<sub>2</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>1-Methyl-5-carboxylamide-2-pyridone; N-Methyl-2-pyridone-5-carboxamide; N'-methyl-2-pyridone-5-carboxamide; N'Methyl-2-pyridone-5-carboxamide; N(1)-Methyl-2-pyridone-5-carboxamide</td><td class="structure"><img data-src="/structures/PHUB002558/image.svg" src="" /></td><td>JLQSXXWTCJPCBC-UHFFFAOYSA-N</td><td>701-44-0</td><td>1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide</td><td>152.153</td><td>4.14e+01 g/l</td><td>-0.96</td><td>-0.57</td><td>InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)</td><td>CN1C=C(C=CC1=O)C(N)=O</td><td>-0.3324703046859154</td><td>15.931644734638628</td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002588">Coffee pyrimidines</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002558">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2617"><td></td><td><a href="/entries/PHUB002559">Nicotinamide-N-oxide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>nicotinamide-N-oxide</td><td>PHUB002559</td><td>2617</td><td>138.042927441</td><td>C<sub>6</sub>H<sub>6</sub>N<sub>2</sub>O<sub>2</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>1-Oxide-(8ci)-nicotinamide; 1-Oxide-3-pyridinecarboxamide; 1-Oxide-nicotinamide; 1-oxo-1Îâµ-pyridine-3-carboximidate; 1-Oxy-nicotinamide; Nicotinamide 1-oxide; Nicotinamide N1-oxide</td><td class="structure"><img data-src="/structures/PHUB002559/image.svg" src="" /></td><td>USSFUVKEHXDAPM-UHFFFAOYSA-N</td><td>1986-81-8</td><td>3-carbamoylpyridin-1-ium-1-olate</td><td>138.126</td><td>3.66e+00 g/l</td><td>-1.08</td><td>-1.58</td><td>InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)</td><td>NC(=O)C1=C[N+]([O-])=CC=C1</td><td>-1.6368319407176661</td><td>12.328672584543126</td><td></td><td><a href="/entries/PHUB002559">Nicotinamide-N-oxide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002559">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2618"><td></td><td><a href="/entries/PHUB002560">N-methyl-2-pyridone-5-carboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>N-methyl-2-pyridone-5-carboxylic acid</td><td>PHUB002560</td><td>2618</td><td>153.042593089</td><td>C<sub>7</sub>H<sub>7</sub>NO<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid; 1-methyl-6-oxopyridine-3-carboxylic acid; 1-methyl-6-oxopyridine-3-carboxylic acid; Nudifloric acid</td><td class="structure"><img data-src="/structures/PHUB002560/image.svg" src="" /></td><td>RGZCKPXTNJAWMR-UHFFFAOYSA-N</td><td>3719-45-7</td><td>1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid</td><td>153.137</td><td>3.63e+01 g/l</td><td>0.05</td><td>-0.62</td><td>InChI=1S/C7H7NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4H,1H3,(H,10,11)</td><td>CN1C=C(C=CC1=O)C(O)=O</td><td>-3.3712490379361437</td><td>3.275573064942554</td><td></td><td><a href="/entries/PHUB002560">N-methyl-2-pyridone-5-carboxylic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002560">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2620"><td></td><td><a href="/entries/PHUB002562">3-O-p-Coumaroylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002562</td><td>2620</td><td>338.10016754</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>8</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002562/image.svg" src="" /></td><td>BMRSEYFENKXDIS-UHFFFAOYSA-N</td><td>1899-30-5</td><td>1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>338.312</td><td>3.92e+00 g/l</td><td>0.13</td><td>-1.94</td><td>InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)</td><td> OC1CC(O)(CC(OC(=O)\C=C/c2ccc(O)cc2)C1O)C(O)=O </td><td>-3.2318239809154075</td><td>3.359492048541407</td><td><a href="/food_sources/7">Apple</a> / <a href="/food_sources/8">Apricot</a> / <a href="/food_sources/23">Carrot</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002562">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2622"><td></td><td><a href="/entries/PHUB002564">Myrtillin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002564</td><td>2622</td><td>500.0721538</td><td>C<sub>21</sub>H<sub>21</sub>ClO<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Delphinidin-3-glucoside</td><td class="structure"><img data-src="/structures/PHUB002564/image.svg" src="" /></td><td>ZJWIIMLSNZOCBP-BTTVDUMLSA-N</td><td>6906-38-3</td><td></td><td>500.84</td><td>8.54e-01 g/l</td><td>0.93</td><td>-2.77</td><td>InChI=1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17-,18+,19-,21-;/m1./s1</td><td>[Cl-].OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td><a href="/food_sources/170">Adzuki bean</a> / <a href="/food_sources/15">Bilberry</a> / <a href="/food_sources/250">Pomegranate</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002564">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2623"><td></td><td><a href="/entries/PHUB002565">S-Methyl cysteine sulphoxide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002565</td><td>2623</td><td>151.030314328</td><td>C<sub>4</sub>H<sub>9</sub>NO<sub>3</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002565/image.svg" src="" /></td><td>ZZLHPCSGGOGHFW-AYVZIKERNA-N</td><td>23315-24-4</td><td>(2S)-2-amino-3-methanesulfinylpropanoic acid</td><td>151.18</td><td>5.04e+01 g/l</td><td>-2.56</td><td>-0.48</td><td>InChI=1/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/s2</td><td>CS(=O)C[C@@H](N)C(O)=O</td><td>8.448660956659266</td><td>1.6094919180576202</td><td><a href="/food_sources/162">Garlic</a> / <a href="/food_sources/70">Onion</a> / <a href="/food_sources/401">red onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002565">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2624"><td></td><td><a href="/entries/PHUB002566">cyanidin-3-O-(6"-malonyl)laminaribioside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002566</td><td>2624</td><td>697.161055263</td><td>C<sub>30</sub>H<sub>33</sub>O<sub>19</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002566/image.svg" src="" /></td><td>RLENKWQMUNAYFI-IYKPOLGQNA-O</td><td></td><td></td><td>697.574</td><td>1.30e+00 g/l</td><td>0.83</td><td>-2.75</td><td>InChI=1/C30H32O19/c31-8-18-22(39)24(41)25(42)29(47-18)49-28-23(40)19(9-44-21(38)7-20(36)37)48-30(26(28)43)46-17-6-12-14(34)4-11(32)5-16(12)45-27(17)10-1-2-13(33)15(35)3-10/h1-6,18-19,22-26,28-31,39-43H,7-9H2,(H4-,32,33,34,35,36,37)/p+1/t18-,19-,22-,23-,24+,25-,26-,28+,29+,30-/s2</td><td>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)[C@@H]2O)[C@H
8](O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td><a href="/food_sources/401">red onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002566">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2625"><td></td><td><a href="/entries/PHUB002567">S1-propenyl cysteine sulfoxide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002567</td><td>2625</td><td>177.045964392</td><td>C<sub>6</sub>H<sub>11</sub>NO<sub>3</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002567/image.svg" src="" /></td><td>OKYHUOHBRKWCQJ-JCWMGCRXNA-N</td><td></td><td>(2S)-2-amino-3-[(1E)-prop-1-ene-1-sulfinyl]propanoic acid</td><td>177.22</td><td>1.96e+01 g/l</td><td>-1.82</td><td>-0.96</td><td>InChI=1/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-,11?/s2</td><td>C\C=C\S(=O)C[C@@H](N)C(O)=O</td><td>8.437867218515805</td><td>1.837072825666763</td><td><a href="/food_sources/70">Onion</a> / <a href="/food_sources/401">red onion</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002567">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2626"><td></td><td><a href="/entries/PHUB002568">N-Caffeoyl-3-O-hydroxytyrosine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002568</td><td>2626</td><td>359.100501891</td><td>C<sub>18</sub>H<sub>17</sub>NO<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; (S)-form, N-(3,4-Dihydroxy-E-cinnamoyl); Clovamide; trans-Clovamide</td><td class="structure"><img data-src="/structures/PHUB002568/image.svg" src="" /></td><td>GPZFXSWMDFBRGS-UXONFWTHSA-N</td><td>53755-02-5</td><td></td><td>359.334</td><td>8.15e-02 g/l</td><td>2.02</td><td>-3.64</td><td>InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3+/t12-/m0/s1</td><td> OC(=O)[C@@H](NC(=O)/C=C/C1=CC(O)=C(O)C=C1)CC2=CC(O)=C(O)C=C2</td><td></td><td></td><td><a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002568">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2627"><td></td><td><a href="/entries/PHUB002569">Chamaemeloside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside]</td><td>PHUB002569</td><td>2627</td><td>576.147905582</td><td>C<sub>27</sub>H<sub>28</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002569/image.svg" src="" /></td><td>WWGLAVUKYJELNJ-XVNLUTQYSA-N</td><td></td><td></td><td>576.507</td><td>3.98e-01 g/l</td><td>
81.04</td><td>-3.16</td><td>InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19?,23-,24+,25?,26-,27?/m1/s1</td><td>CC(O)(CC(O)=O)CC(=O)OCC1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td><a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002569">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2628"><td></td><td><a href="/entries/PHUB002570">N-Cinnamyol-L-aspartic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002570</td><td>2628</td><td>263.079372523</td><td>C<sub>13</sub>H<sub>13</sub>NO<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002570/image.svg" src="" /></td><td>DAHASNDSDHUIRW-VOTSOKGWNA-N</td><td></td><td>2-[(2E)-3-phenylprop-2-enamido]butanedioic acid</td><td>263.249</td><td>1.80e-01 g/l</td><td>1.02</td><td>-3.16</td><td>InChI=1/C13H13NO5/c15-11(7-6-9-4-2-1-3-5-9)14-10(13(18)19)8-12(16)17/h1-7,10H,8H2,(H,14,15)(H,16,17)(H,18,19)/b7-6+</td><td>OC(=O)CC(NC(=O)\C=C\C1=CC=CC=C1)C(O)=O</td><td>-0.6976515357780935</td><td>3.6145661653780463</td><td><a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002570">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2629"><td></td><td><a href="/entries/PHUB002571">N-Caffeoyl-L-glutamic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002571</td><td>2629</td><td>309.084851827</td><td>C<sub>14</sub>H<sub>15</sub>NO<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002571/image.svg" src="" /></td><td>PRCRWIWEDONYKC-GORDUTHDNA-N</td><td></td><td>2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]pentanedioic acid</td><td>309.274</td><td>4.42e-01 g/l</td><td>1.40</td><td>-2.85</td><td>InChI=1/C14H15NO7/c16-10-4-1-8(7-11(10)17)2-5-12(18)15-9(14(21)22)3-6-13(19)20/h1-2,4-5,7,9,16-17H,3,6H2,(H,15,18)(H,19,20)(H,21,22)/b5-2+</td><td>OC(=O)CCC(NC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O</td><td>-0.5859837785199308</td><td>3.1932174718663857</td><td><a href="/food_sources/345">Cocoa</a> / <a href="/food_sources/199">Cocoa bean</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002571">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2630"><td></td><td><a href="/entries/PHUB002572">Axillarin-4'-O-glucuronide</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002572</td><td>2630</td><td>522.100955388</td><td>C<sub>23</sub>H<sub>22</sub>O<sub>14</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone; 4'-O-β-D-Glucuronopyranoside; Axillarin 4'-glucuronide; Spinatoside</td><td class="structure"><img data-src="/structures/PHUB002572/image.svg" src="" /></td><td>YIDAQAJEKNRLJS-QJAHINBCSA-N</td><td>65039-74-9</td><td></td><td>522.415</td><td>1.32e+00 g/l</td><td>1.48</td><td>-2.60</td><td>InChI=1S/C23H22O14/c1-33-19-9(25)6-11-12(13(19)26)14(27)20(34-2)18(35-11)7-3-4-10(8(24)5-7)36-23-17(30)15(28)16(29)21(37-23)22(31)32/h3-6,15-17,21,23-26,28-30H,1-2H3,(H,31,32)/t15-,16-,17+,21-,23+/m0/s1</td><td>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(O)C=C(C=C2)C=3OC4=C(C(=O)C3OC)C(O)=C(OC)C(O)=C4)C(O)=O</td><td>-3.686827975281591</td><td>2.972222395546826</td><td><a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002572">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2631"><td></td><td><a href="/entries/PHUB002573">Spinacetin 3-gentiobioside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002573</td><td>2631</td><td>670.174514255</td><td>C<sub>29</sub>H<sub>34</sub>O<sub>18</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-O-[β-D-Glucopyranosyl-(1â6)-β-D-glucopyranoside]; 3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; Spinacetin-3-O-gentiobioside</td><td class="structure"><img data-src="/structures/PHUB002573/image.svg" src="" /></td><td>ZZNVCZGRNCQHCQ-VGVXESMJSA-N</td><td>101021-29-8</td><td></td><td>670.573</td><td>3.76e+00 g/l</td><td>-0.31</td><td>-2.25</td><td>InChI=1S/C29H34O18/c1-41-12-5-9(3-4-10(12)31)25-27(20(36)16-13(44-25)6-11(32)26(42-2)19(16)35)47-29-24(40)22(38)18(34)15(46-29)8-43-28-23(39)21(37)17(33)14(7-30)45-28/h3-6,14-15,17-18,21-24,28-35,37-40H,7-8H2,1-2H3/t14?,15?,17-,18-,21+,22?,23?,24?,28-,29-/m1/s1</td><td>O1C([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC3=C(C2=O)C(O)=C(OC)C(O)=C3)C4=CC(OC)=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO</td><td></td><td></td><td><a href="/food_sources/140">Spinach</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002573">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2632"><td></td><td><a href="/entries/PHUB002574">Graveobioside A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002574</td><td>2632</td><td>580.142820202</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Miscellaneous flavonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3',4',5,7-Tetrahydroxyflavone; 7-O-[D-Apiofuranosyl-(1â2)-β-D-glucopyranoside]; 7-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-</td><td class="structure"><img data-src="/structures/PHUB002574/image.svg" src="" /></td><td>YSXNEFJASLJGTK-YRCFQSNFSA-N</td><td>63808-23-1</td><td></td><td>580.495</td><td>1.77e+00 g/l</td><td>-0.17</td><td>-2.52</td><td>InChI=1S/C26H28O15/c27-7-18-20(33)21(34)22(41-25-23(35)26(36,8-28)9-37-25)24(40-18)38-11-4-14(31)19-15(32)6-16(39-17(19)5-11)10-1-2-12(29)13(30)3-10/h1-6,18,20-25,27-31,33-36H,7-9H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1</td><td> O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO)[C@@H]5OC[C@@](O)([C@H]5O)CO</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002574">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2633"><td></td><td><a href="/entries/PHUB002575">Protodioscin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002575</td><td>2633</td><td>1048.545424345</td><td>C<sub>51</sub>H<sub>84</sub>O<sub>22</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Furost-5-ene-3,22,26-triol; (3β,22R,25R)-form, 3-O-[α-L-Rhamnopyranosyl-(1â2)-[α-L-rhamnopyranosyl-; Saponin C</td><td class="structure"><img data-src="/structures/PHUB002575/image.svg" src="" /></td><td> LVTJOONKWUXEFR-UEZXSUPNSA-N</td><td>55056-80-9</td><td></td><td>1049.211</td><td>8.96e-01 g/l</td><td>-0.22</td><td>-3.07</td><td>InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1</td><td>[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@](O)(CC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</td><td></td><td></td><td><a href="/food_sources/9">Asparagus</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002575">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2634"><td></td><td><a href="/entries/PHUB002576">2,15,17-tridecarboxy-2,3-dehydro-neobetanin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002576</td><td>2634</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002576/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000409">Neobetanin</a> / <a href="/entries/PHUB000405">Betanin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002576">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2636"><td></td><td><a href="/entries/PHUB002578">17-decarboxy-isobetanidin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002578</td><td>2636</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002578/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000407">Betanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002578">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2637"><td></td><td><a href="/entries/PHUB002579">2-decarboxy-betanidin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002579</td><td>2637</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002579/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000407">Betanidin</a> / <a href="/entries/PHUB002579">2-decarboxy-betanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002579">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2639"><td></td><td><a href="/entries/PHUB002581">Docosahexaenoic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002581</td><td>2639</td><td>328.24023027</td><td>C<sub>22</sub>H<sub>32</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4,7,10,13,16,19-Docosahexaenoic acid; DHA</td><td class="structure"><img data-src="/structures/PHUB002581/image.svg" src="" /></td><td>MBMBGCFOFBJSGT-UHFFFAOYSA-N</td><td>2091-24-9</td><td>docosa-4,7,10,13,16,19-hexaenoic acid</td><td>328.496</td><td>1.86e-04 g/l</td><td>6.83</td><td>-6.25</td><td>InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)</td><td> CC\C=C/C\C=C/C\C=C\C\C=C/C\C=C/C\C=C/CCC(O)=O</td><td></td><td>4.8854984143453795</td><td><a href="/food_sources/10">Avocado</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002581">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2640"><td></td><td><a href="/entries/PHUB002582">Persenone A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002582</td><td>2640</td><td>378.277009704</td><td>C<sub>23</sub>H<sub>38</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Fatty acids and lipids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(5E,12Z,15Z)-2-Hydroxy-4-oxo-5,12,15-henicosatrien-1-yl acetate; 1,2-Dihydroxy-5,12,15-heneicosatrien-4-one; (2ξ,5E,12Z,15Z)-form, 1-Ac; 5,6-Didehydropersin</td><td class="structure"><img data-src="/structures/PHUB002582/image.svg" src="" /></td><td>YLWJMUPPJKELEC-GQQAEKEGSA-N</td><td>215117-03-6</td><td>(5E,12Z,15Z)-2-hydroxy-4-oxohenicosa-5,12,15-trien-1-yl acetate</td><td>378.553</td><td>2.88e-04 g/l</td><td>6.04</td><td>-6.12</td><td>InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,17-18,23,26H,3-6,9,12-16,19-20H2,1-2H3/b8-7-,11-10-,18-17+</td><td> CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)CC(O)COC(C)=O</td><td>-3.124722545134475</td><td>14.254857491616347</td><td><a href="/food_sources/10">Avocado</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002582">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2641"><td></td><td><a href="/entries/PHUB002583">Persenone B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002583</td><td>2641</td><td>354.277009704</td><td>C<sub>21</sub>H<sub>38</sub>O<sub>4</sub></td><td>Miscellaneous phytochemicals</td><td>Fatty acids and lipids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,2-Dihydroxy-5-heneicosen-4-one; (2ξ,5E)-form, 1-Ac; 2-Hydroxy-4-oxononadeca-5-en-1-yl-acetate</td><td class="structure"><img data-src="/structures/PHUB002583/image.svg" src="" /></td><td> DSLYZXQQSWFUHY-FOCLMDBBSA-N</td><td>215117-09-2</td><td>(5E)-2-hydroxy-4-oxononadec-5-en-1-yl acetate</td><td>354.531</td><td>5.78e-04 g/l</td><td>6.14</td><td>-5.79</td><td> InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)17-21(24)18-25-19(2)22/h15-16,21,24H,3-14,17-18H2,1-2H3/b16-15+</td><td>CCCCCCCCCCCCC\C=C\C(=O)CC(O)COC(C)=O</td><td>-3.124722545134475</td><td>14.25485749161544</td><td><a href="/food_sources/10">Avocado</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002583">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2642"><td></td><td><a href="/entries/PHUB002584">Limonin Glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002584</td><td>2642</td><td>650.257456032</td><td>C<sub>32</sub>H<sub>42</sub>O<sub>14</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Limonoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Glucosyl-limonin; Limonin 17-beta-D-glucopyranoside; Limonin 17-beta-D-glucoside; limonin 17-β-D-glucoside; β-D-glucosyl-limonin</td><td class="structure"><img data-src="/structures/PHUB002584/image.svg" src="" /></td><td>FYIKIBQJAJRKQM-LECQIBCFSA-N</td><td>123564-61-4</td><td></td><td>650.674</td><td>1.01e+00 g/l</td><td>1.07</td><td>-2.81</td><td>InChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15?,16?,17?,19?,21?,22?,23?,24?,25?,27?,29-,30-,31+,32+/m0/s1</td><td>CC1(C)OC2CC(=O)OC[C@@]22C1CC(=O)[C@]1(C)C2CC[C@@](C)(C(OC2OC(CO)C(O)C(O)C2O)C2=COC=C2)[C@@]11OC1C(O)=O</td><td></td><td></td><td><a href="/food_sources/404">Citrus fruits and Juices</a> / <a href="/food_sources/77">Grapefruit</a> / <a href="/food_sources/94">Mandarin orange (Clementine, Tangerine)</a> / <a href="/food_sources/149">Sweet orange</a></td><td><a href="/entries/PHUB000172">Limonin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002584">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2643"><td></td><td><a href="/entries/PHUB002585">Ginsenosides</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002585</td><td>2643</td><td></td><td></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002585/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/74">Ginseng</a></td><td><a href="/entries/PHUB002094">Ginsenoside C</a> / <a href="/entries/PHUB002095">Ginsenoside Rd</a> / <a href="/entries/PHUB002096">Ginsenoside F2</a> / <a href="/entries/PHUB002100">Ginsenoside Rg3</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002585">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2646"><td></td><td><a href="/entries/PHUB002588">Coffee pyrimidines</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002588</td><td>2646</td><td></td><td></td><td>N-containing compounds</td><td>Alkaloids</td><td>Purines and pyrimidines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002588/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/39">Coffee</a></td><td><a href="/entries/PHUB002555">N-Methylnicotinamide</a> / <a href="/entries/PHUB002557">N-Methyl-4-pyridone-5-carboxamide</a> / <a href="/entries/PHUB002558">N-methyl-2-pyridone-5-carboxamide</a> / <a href="/entries/PHUB002590">N1-methyl-nicotinamide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002588">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2648"><td></td><td><a href="/entries/PHUB002590">N1-methyl-nicotinamide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>N1-methyl-nicotinamide</td><td>PHUB002590</td><td>2648</td><td>137.070939338</td><td>C<sub>7</sub>H<sub>9</sub>N<sub>2</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td>1-Methyl nicotinamide; 1-Methylnicotinamide cation; 3-(Aminocarbonyl)-1-methylpyridinium; N'-methylnicotinamide; Trigonellinamide</td><td class="structure"><img data-src="/structures/PHUB002590/image.svg" src="" /></td><td>LDHMAVIPBRSVRG-UHFFFAOYSA-O</td><td>3106-60-3</td><td>3-carbamoyl-1-methylpyridin-1-ium</td><td>137.161</td><td>7.25e-01 g/l</td><td>-3.72</td><td>-2.38</td><td>InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1</td><td>C[N+]1=CC=CC(=C1)C(N)=O</td><td>-1.5296412362667111</td><td>12.235695069277828</td><td></td><td><a href="/entries/PHUB002588">Coffee pyrimidines</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002590">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2649"><td></td><td><a href="/entries/PHUB002591">5-Pentadecenylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>(Z)-5-(pentadec-8-en-1-yl)benzene-1,3-diol</td><td>PHUB002591</td><td>2649</td><td>318.255880335</td><td>C<sub>21</sub>H<sub>34</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Bilobol; Cardol monoene; Resorcinol, 5-(8-pentadecenyl)-, (Z)-; Trifurcatol A2</td><td class="structure"><img data-src="/structures/PHUB002591/image.svg" src="" /></td><td>TUGAUFMQYWZJAB-FPLPWBNLSA-N</td><td>22910-86-7</td><td>5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol</td><td>318.501</td><td>3.32e-04 g/l</td><td>8.00</td><td>-5.98</td><td>InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-</td><td>CCCCCC\C=C/CCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.665057916048886</td><td>9.359032641616453</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002591">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2650"><td></td><td><a href="/entries/PHUB002592">5-Pentadecadienylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol</td><td>PHUB002592</td><td>2650</td><td>316.24023027</td><td>C<sub>21</sub>H<sub>32</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Cardoldiene</td><td class="structure"><img data-src="/structures/PHUB002592/image.svg" src="" /></td><td>UFMJCOLGRWKUKO-UTOQUPLUSA-N</td><td>79473-25-9</td><td>5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol</td><td>316.485</td><td>5.83e-04 g/l</td><td>7.76</td><td>-5.73</td><td>InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h4-5,7-8,16-18,22-23H,2-3,6,9-15H2,1H3/b5-4-,8-7-</td><td>CCC\C=C/C\C=C/CCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.665057916048886</td><td>9.359032641616453</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002592">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2651"><td></td><td><a href="/entries/PHUB002593">Cocoa purines</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002593</td><td>2651</td><td></td><td></td><td>N-containing compounds</td><td>Alkaloids</td><td>Purines and pyrimidines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002593/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/345">Cocoa</a></td><td><a href="/entries/PHUB000791">Theophylline</a> / <a href="/entries/PHUB002541">4-Amino-(5-formylmethyl- amino) 1,3-dimethyluracil</a> / <a href="/entries/PHUB002536">7-methylxanthine</a> / <a href="/entries/PHUB002405">5-acetylamino-6-formylamino-3-methyluracil</a> / <a href="/entries/PHUB002534">1,7-dimethyluricacid</a> / <a href="/entries/PHUB002538">7-methyluric acid</a> / <a href="/entries/PHUB002533">1-methyluric acid</a> / <a href="/entries/PHUB002340">1-methylxanthine</a> / <a href="/entries/PHUB002535">3-methylxanthine</a> / <a href="/entries/PHUB002406">Paraxanthine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002593">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2652"><td></td><td><a href="/entries/PHUB002594">Coffee purines</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002594</td><td>2652</td><td></td><td></td><td>N-containing compounds</td><td>Alkaloids</td><td>Purines and pyrimidines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002594/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/food_sources/409">Green/roasted coffee</a></td><td><a href="/entries/PHUB002406">Paraxanthine</a> / <a href="/entries/PHUB002533">1-methyluric acid</a> / <a href="/entries/PHUB002534">1,7-dimethyluricacid</a> / <a href="/entries/PHUB002536">7-methylxanthine</a> / <a href="/entries/PHUB000791">Theophylline</a> / <a href="/entries/PHUB002340">1-methylxanthine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002594">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2653"><td></td><td><a href="/entries/PHUB002595">Ascorbigen</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002595</td><td>2653</td><td>305.089937207</td><td>C<sub>15</sub>H<sub>15</sub>NO<sub>6</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(3S,3aR,6S,6aS)-3,6,6a-trihydroxy-6-(1H-indol-3-ylmethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one</td><td class="structure"><img data-src="/structures/PHUB002595/image.svg" src="" /></td><td>OMSJCIOTCFHSIT-KNUOEEMSSA-N</td><td>8075-98-7</td><td>(3aS,6S,6aR)-3,3a,6-trihydroxy-3-[(1H-indol-3-yl)methyl]-hexahydrofuro[3,2-b]furan-2-one</td><td>305.286</td><td>7.79e+00 g/l</td><td>0.49</td><td>-1.59</td><td>InChI=1S/C15H15NO6/c17-11-7-21-15(20)12(11)22-13(18)14(15,19)5-8-6-16-10-4-2-1-3-9(8)10/h1-4,6,11-12,16-17,19-20H,5,7H2/t11-,12+,14?,15-/m0/s1</td><td>[H][C@]12OC(=O)C(O)(CC3=CNC4=CC=CC=C34)[C@@]1(O)OC[C@@H]2O</td><td>-3.57983291781895</td><td>9.645034586919447</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002595">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2654"><td></td><td><a href="/entries/PHUB002596">Tetrahydrodaidzein</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002596</td><td>2654</td><td>258.089208931</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002596/image.svg" src="" /></td><td>YOSDNAMJVOLJKI-UHFFFAOYSA-N</td><td></td><td>3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol</td><td>258.273</td><td>1.82e-01 g/l</td><td>1.82</td><td>-3.15</td><td>InChI=1S/C15H14O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,15-18H,8H2</td><td>OC1C(COC2=CC(O)=CC=C12)C1=CC=C(O)C=C1</td><td>-3.3011826075856727</td><td>9.322156502798963</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002596">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2655"><td></td><td><a href="/entries/PHUB002597">5-Hydroxyequol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002597</td><td>2655</td><td>258.089208931</td><td>C<sub>15</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002597/image.svg" src="" /></td><td>QUQOSUMQYPIQFW-UHFFFAOYSA-N</td><td></td><td>3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-5,7-diol</td><td>258.273</td><td>8.79e-02 g/l</td><td>2.18</td><td>-3.47</td><td>InChI=1S/C15H14O4/c16-11-3-1-9(2-4-11)10-5-13-14(18)6-12(17)7-15(13)19-8-10/h1-4,6-7,10,16-18H,5,8H2</td><td>OC1=CC=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1</td><td>-4.865608198141828</td><td>9.42712506530985</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002597">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2656"><td></td><td><a href="/entries/PHUB002598">3'-Hydroxygenistein</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002598</td><td>2656</td><td>286.047738042</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002598/image.svg" src="" /></td><td>IOYHCQBYQJQBSK-UHFFFAOYSA-N</td><td></td><td>3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one</td><td>286.239</td><td>1.40e-01 g/l</td><td>2.64</td><td>-3.31</td><td>InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H</td><td>OC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC(O)=C(O)C=C1</td><td>-5.345712117805731</td><td>6.544300500099932</td><td></td><td><a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002598">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2657"><td></td><td><a href="/entries/PHUB002599">6-Hydroxygenistein</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002599</td><td>2657</td><td>286.047738042</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002599/image.svg" src="" /></td><td>HDXSEWOOSVMREY-UHFFFAOYSA-N</td><td></td><td>5,6,7-trihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>286.239</td><td>1.64e-01 g/l</td><td>2.71</td><td>-3.24</td><td>InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-11-5-10(17)14(19)15(20)12(11)13(9)18/h1-6,16-17,19-20H</td><td>OC1=CC=C(C=C1)C1=COC2=C(C(O)=C(O)C(O)=C2)C1=O</td><td>-5.330926485602976</td><td>6.724163382173995</td><td></td><td><a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002599">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2658"><td></td><td><a href="/entries/PHUB002600">8-hydroxy-genistein</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002600</td><td>2658</td><td>286.047738042</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002600/image.svg" src="" /></td><td>ZKZCRGBCWBCSNJ-UHFFFAOYSA-N</td><td></td><td>5,7,8-trihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one</td><td>286.239</td><td>1.64e-01 g/l</td><td>2.68</td><td>-3.24</td><td>InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-15-12(13(9)19)10(17)5-11(18)14(15)20/h1-6,16-18,20H</td><td>OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2O)C1=O</td><td>-5.401301405682368</td><td>6.760615765501105</td><td></td><td><a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002600">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2659"><td></td><td><a href="/entries/PHUB002601">Genistein-4',7-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002601</td><td>2659</td><td>429.96645349</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>11</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002601/image.svg" src="" /></td><td>OIWNCXQGSYSVIR-UHFFFAOYSA-N</td><td></td><td>{5-hydroxy-4-oxo-3-[4-(sulfooxy)phenyl]-4H-chromen-7-yl}oxidanesulfonic acid</td><td>430.35</td><td>9.18e-02 g/l</td><td>-0.70</td><td>-3.67</td><td>InChI=1S/C15H10O11S2/c16-12-5-10(26-28(21,22)23)6-13-14(12)15(17)11(7-24-13)8-1-3-9(4-2-8)25-27(18,19)20/h1-7,16H,(H,18,19,20)(H,21,22,23)</td><td>OC1=CC(OS(O)(=O)=O)=CC2=C1C(=O)C(=CO2)C1=CC=C(OS(O)(=O)=O)C=C1</td><td>-5.35071105221511</td><td>-2.885922275391735</td><td></td><td><a href="/entries/PHUB000225">Genistein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002601">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2660"><td></td><td><a href="/entries/PHUB002602">Hydroxytyrosol 4â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002602</td><td>2660</td><td>330.09508216</td><td>C<sub>14</sub>H<sub>18</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td>(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-2-carboxylate</td><td class="structure"><img data-src="/structures/PHUB002602/image.svg" src="" /></td><td>JMDNSUMWVYKARS-BYNIDDHOSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid</td><td>330.289</td><td>1.54e+01 g/l</td><td>-0.79</td><td>-1.33</td><td>InChI=1S/C14H18O9/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1</td><td>[H][C@@]1(OC2=C(O)C=C(CCO)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-2.4133022772388113</td><td>3.0845301171753237</td><td></td><td><a href="/entries/PHUB001698">Hydroxytyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002602">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2661"><td></td><td><a href="/entries/PHUB002603">3,4-Dihydroxystyrene</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002603</td><td>2661</td><td>136.052429498</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>4-Ethenylbenzene-1,2-diol; 4-Vinylcatechol</td><td class="structure"><img data-src="/structures/PHUB002603/image.svg" src="" /></td><td>FBTSUTGMWBDAAC-UHFFFAOYSA-N</td><td>6053-02-7</td><td>4-ethenylbenzene-1,2-diol</td><td>136.15</td><td>1.53e+01 g/l</td><td>1.82</td><td>-0.95</td><td>InChI=1S/C8H8O2/c1-2-6-3-4-7(9)8(10)5-6/h2-5,9-10H,1H2</td><td>OC1=CC=C(C=C)C=C1O</td><td>-6.274234587487387</td><td>9.304353276358334</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002603">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2662"><td></td><td><a href="/entries/PHUB002604">Caffeoyl-o-quinone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002604</td><td>2662</td><td>178.026608673</td><td>C<sub>9</sub>H<sub>6</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002604/image.svg" src="" /></td><td>QPYQKHOKNCVKGE-RQOWECAXSA-N</td><td></td><td>(2Z)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoic acid</td><td>178.143</td><td>8.72e-01 g/l</td><td>0.89</td><td>-2.31</td><td>InChI=1S/C9H6O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2-</td><td>OC(=O)\C=C/C1=CC(=O)C(=O)C=C1</td><td>-9.022493000125685</td><td>3.8868031393327076</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002604">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2663"><td></td><td><a href="/entries/PHUB002605">Dehydroxy-chlorogenic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-O-(3-hydroxycinnamoyl)-quinic acid</td><td>PHUB002605</td><td>2663</td><td>338.10016754</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002605/image.svg" src="" /></td><td>SQGGFUJWLVAPFS-OHAJBOIKSA-N</td><td></td><td>(1R,3S,4S,5S)-1,3,4-trihydroxy-5-{[(2E)-3-(3-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid</td><td>338.312</td><td>3.91e+00 g/l</td><td>0.14</td><td>-1.94</td><td>InChI=1S/C16H18O8/c17-10-3-1-2-9(6-10)4-5-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b5-4+/t11-,12-,14-,16+/m0/s1</td><td>O[C@H]1C[C@@](O)(C[C@H](OC(=O)\C=C\C2=CC=CC(O)=C2)[C@H]1O)C(O)=O</td><td>-3.2318239809154075</td><td>3.3406302943561035</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002605">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2664"><td></td><td><a href="/entries/PHUB002606">Dihydrochlorogenic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-O-(3-(3,4-dihydroxyphenyl)-propanoyl)-quinic acid </td><td>PHUB002606</td><td>2664</td><td>356.110732224</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002606/image.svg" src="" /></td><td>RLGFSACCIOSKQS-NCZKRNLISA-N</td><td></td><td>(1S,3R,4R,5R)-3-{[3-(3,4-dihydroxyphenyl)propanoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid</td><td>356.327</td><td>4.24e+00 g/l</td><td>-0.23</td><td>-1.92</td><td>InChI=1S/C16H20O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1,3,5,11-12,14,17-19,21,24H,2,4,6-7H2,(H,22,23)/t11-,12-,14-,16+/m1/s1</td><td>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)CCC2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O</td><td>-3.2318165673658075</td><td>3.4040520429071566</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002606">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2665"><td></td><td><a href="/entries/PHUB002607">Caffeoyl-glycerol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>caffeoyl-glycerol</td><td>PHUB002607</td><td>2665</td><td>254.079038171</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>6</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002607/image.svg" src="" /></td><td>NOHROAYVCRHDHO-HDMKULJXSA-N</td><td></td><td>(2R)-2,3-dihydroxypropyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>254.238</td><td>8.13e-01 g/l</td><td>0.05</td><td>-2.50</td><td>InChI=1S/C12H14O6/c13-6-9(14)7-18-12(17)4-2-8-1-3-10(15)11(16)5-8/h1-5,9,13-16H,6-7H2/b4-2+/t9-/m1/s1</td><td>OC[C@@H](O)COC(=O)\C=C\C1=CC=C(O)C(O)=C1</td><td>-2.9686917101118624</td><td>9.20861859947946</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002607">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2666"><td></td><td><a href="/entries/PHUB002608">Dihydrocaffeoyl-glycerol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3,4-dihydroxyphenyl)-propanoyl-glycerol </td><td>PHUB002608</td><td>2666</td><td>252.136159124</td><td>C<sub>14</sub>H<sub>20</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-(3,4-dihydroxyphenyl)-propanoyl-glycerol</td><td class="structure"><img data-src="/structures/PHUB002608/image.svg" src="" /></td><td>AYXIHADKMJKTLQ-SNVBAGLBSA-N</td><td></td><td>(2R)-2-methylbutyl 3-(3,4-dihydroxyphenyl)propanoate</td><td>252.31</td><td>2.32e-01 g/l</td><td>3.23</td><td>-3.04</td><td>InChI=1S/C14H20O4/c1-3-10(2)9-18-14(17)7-5-11-4-6-12(15)13(16)8-11/h4,6,8,10,15-16H,3,5,7,9H2,1-2H3/t10-/m1/s1</td><td>CC[C@@H](C)COC(=O)CCC1=CC=C(O)C(O)=C1</td><td>-6.28908666044067</td><td>9.28852374334475</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002608">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2667"><td></td><td><a href="/entries/PHUB002609">2-(3-hydroxyphenyl)-ethanol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-(3-hydroxyphenyl)-ethanol</td><td>PHUB002609</td><td>2667</td><td>138.068079562</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Miscellaneous phenolic acid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002609/image.svg" src="" /></td><td>AMQIPHZFLIDOCB-UHFFFAOYSA-N</td><td></td><td>3-(2-hydroxyethyl)phenol</td><td>138.166</td><td>2.44e+01 g/l</td><td>0.83</td><td>-0.75</td><td>InChI=1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2</td><td>OCCC1=CC=CC(O)=C1</td><td>-2.422770555691474</td><td>10.057053446685627</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002609">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2669"><td></td><td><a href="/entries/PHUB002611">8-hydroxyperillic acid-9-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8-hydroxy-p-menth-1-en-7-oic acid-9-glucuronide </td><td>PHUB002611</td><td>2669</td><td>376.136946973</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>8-hydroxy-p-menth-1-en-7-oic acid-9-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002611/image.svg" src="" /></td><td>YZZZVFBCHFYOKY-UHFFFAOYSA-N</td><td></td><td>5-[2-(4-carboxycyclohex-3-en-1-yl)-2-hydroxypropoxy]-3,4,6-trihydroxyoxane-2-carboxylic acid</td><td>376.358</td><td>1.41e+01 g/l</td><td>-0.72</td><td>-1.43</td><td>InChI=1S/C16H26O10/c1-16(6-17,8-4-2-7(3-5-8)13(20)21)26-12-10(19)9(18)11(14(22)23)25-15(12)24/h7-12,15,17-19,24H,2-6H2,1H3,(H,20,21)(H,22,23)</td><td>CC(O)(COC1C(O)OC(C(O)C1O)C(O)=O)C1CCC(=CC1)C(O)=O</td><td>-3.2297596906476698</td><td>3.28389065388416</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002611">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2670"><td></td><td><a href="/entries/PHUB002612">2-hydroxy-p-menthan-7-oic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxy-p-menthan-7-oic acid</td><td>PHUB002612</td><td>2670</td><td>186.12559444</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002612/image.svg" src="" /></td><td>CEYDJYILNZYIBH-UHFFFAOYSA-N</td><td></td><td>2-hydroxy-4-(propan-2-yl)cyclohexane-1-carboxylic acid</td><td>186.251</td><td>8.42e+00 g/l</td><td>1.28</td><td>-1.34</td><td>InChI=1S/C10H18O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h6-9,11H,3-5H2,1-2H3,(H,12,13)</td><td>CC(C)C1CCC(C(O)C1)C(O)=O</td><td>-2.9358285998406854</td><td>
84.71567309276215</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002612">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2672"><td></td><td><a href="/entries/PHUB002614">hydroxy-p-menth-8-en-7-oic acid glucuronide I</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxy-p-menth-8-enyl-7-glucuronide</td><td>PHUB002614</td><td>2672</td><td>360.142032353</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-hydroxy-dihydroperilloyl-7-glucuronade; 2-hydroxy-p-menth-8-en-7-oic acid glucuronide</td><td class="structure"><img data-src="/structures/PHUB002614/image.svg" src="" /></td><td>NCSVWGXSKBNEHZ-UHFFFAOYSA-N</td><td></td><td>3,4,6-trihydroxy-5-[2-hydroxy-4-(prop-1-en-2-yl)cyclohexanecarbonyloxy]oxane-2-carboxylic acid</td><td>360.359</td><td>2.67e+01 g/l</td><td>-0.94</td><td>-1.13</td><td>InChI=1S/C16H24O9/c1-6(2)7-3-4-8(9(17)5-7)15(22)25-13-11(19)10(18)12(14(20)21)24-16(13)23/h7-13,16-19,23H,1,3-5H2,2H3,(H,20,21)</td><td>CC(=C)C1CCC(C(O)C1)C(=O)OC1C(O)OC(C(O)C1O)C(O)=O</td><td>-2.940566161583182</td><td>3.1206356520914507</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002614">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2673"><td></td><td><a href="/entries/PHUB002615">dihydroperillic acid-2-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-8-en-7-oic acid-2-glucuronide</td><td>PHUB002615</td><td>2673</td><td>360.142032353</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-hydroxy-p-menth-8-en-7-oic acid glucuronide</td><td class="structure"><img data-src="/structures/PHUB002615/image.svg" src="" /></td><td>XLWVJNQLXWPKOP-UHFFFAOYSA-N</td><td></td><td>6-{[2-carboxy-5-(prop-1-en-2-yl)cyclohexyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>360.359</td><td></td><td></td><td></td><td>InChI=1S/C16H24O9/c1-6(2)7-3-4-8(14(19)20)9(5-7)24-13-11(18)10(17)12(15(21)22)25-16(13)23/h7-13,16-18,23H,1,3-5H2,2H3,(H,19,20)(H,21,22)</td><td>CC(=C)C1CCC(C(C1)OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O</td><td>-3.686499527311929</td><td>3.3019691431979563</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002615">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2674"><td></td><td><a href="/entries/PHUB002616">dihydroperilloyl-7-glycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-hydroxy-p-menth-8-eneyl-7-glycine</td><td>PHUB002616</td><td>2674</td><td>227.115758031</td><td>C<sub>11</sub>H<sub>17</sub>NO<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-hydroxy-p-menth-8-en-7-oic acid glycine; 2-hydroxy-p-menth-8-enoic-7-glycine</td><td class="structure"><img data-src="/structures/PHUB002616/image.svg" src="" /></td><td>CVDBZFRQEKWTLE-UHFFFAOYSA-N</td><td></td><td>[2-hydroxy-4-(prop-1-en-2-yl)cyclohexanecarbonyl]carbamic acid</td><td>227.26</td><td>1.39e+01 g/l</td><td>0.56</td><td>-1.21</td><td>InChI=1S/C11H17NO4/c1-6(2)7-3-4-8(9(13)5-7)10(14)12-11(15)16/h7-9,13H,1,3-5H2,2H3,(H,12,14)(H,15,16)</td><td>CC(=C)C1CCC(C(O)C1)C(=O)NC(O)=O</td><td>-2.924878648719875</td><td>3.885283154226569</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002616">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2676"><td></td><td><a href="/entries/PHUB002618">Perillic acid sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8,dien-7-oyl sulfate</td><td>PHUB002618</td><td>2676</td><td>246.056194725</td><td>C<sub>10</sub>H<sub>14</sub>O<sub>5</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-1,8-dienoic-7-sulfate</td><td class="structure"><img data-src="/structures/PHUB002618/image.svg" src="" /></td><td>VTTPXJFBCYGPCC-UHFFFAOYSA-N</td><td></td><td>[4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbonyloxy]sulfonic acid</td><td>246.28</td><td>7.21e-01 g/l</td><td>0.23</td><td>-2.53</td><td>InChI=1S/C10H14O5S/c1-7(2)8-3-5-9(6-4-8)10(11)15-16(12,13)14/h5,8H,1,3-4,6H2,2H3,(H,12,13,14)</td><td>CC(=C)C1CCC(=CC1)C(=O)OS(O)(=O)=O</td><td>-7.382081754501596</td><td>-1.6153479664387163</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002618">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2677"><td></td><td><a href="/entries/PHUB002619">1-Hydroxylimonene-2-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-8-en-1-ol-2-glucuronide</td><td>PHUB002619</td><td>2677</td><td>346.162767797</td><td>C<sub>16</sub>H<sub>26</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Limonene-1,2-diol glucuronide; p-menth-8-en-1,2-diol glucuronide</td><td class="structure"><img data-src="/structures/PHUB002619/image.svg" src="" /></td><td>ZHMYUZSNXZNQIB-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid</td><td>346.376</td><td></td><td></td><td></td><td>InChI=1S/C16H26O8/c1-7(2)8-4-5-16(3,22)9(6-8)23-13-11(18)10(17)12(14(19)20)24-15(13)21/h8-13,15,17-18,21-22H,1,4-6H2,2-3H3,(H,19,20)</td><td>CC(=C)C1CCC(C)(O)C(C1)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.2145416286026633</td><td>3.5449640004146152</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002619">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2678"><td></td><td><a href="/entries/PHUB002620">2-Hydroxylimonene-1-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-8-en-2-ol-1-glucuronide</td><td>PHUB002620</td><td>2678</td><td>346.162767797</td><td>C<sub>16</sub>H<sub>26</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Limonene-1,2-diol glucuronide; p-menth-8-en-1,2-diol glucuronide</td><td class="structure"><img data-src="/structures/PHUB002620/image.svg" src="" /></td><td>LFYWFNNHNASMER-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[2-hydroxy-1-methyl-4-(prop-1-en-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acid</td><td>346.376</td><td></td><td></td><td></td><td>InChI=1S/C16H28O8/c1-7(2)8-4-5-16(3,9(17)6-8)24-13-11(19)10(18)12(14(20)21)23-15(13)22/h7-13,15,17-19,22H,4-6H2,1-3H3,(H,20,21)</td><td>CC(=C)C1CCC(C)(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1</td><td>-3.2459735734055246</td><td>3.5804122283807005</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002620">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2679"><td></td><td><a href="/entries/PHUB002621">9-hydroxylimonene-8-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-1-en-9-ol-8-glucuronide </td><td>PHUB002621</td><td>2679</td><td>346.162767797</td><td>C<sub>16</sub>H<sub>26</sub>O<sub>8</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Limonene-8,9-diol glucuronide; p-menth-1-en-8,9-diol glucuronide</td><td class="structure"><img data-src="/structures/PHUB002621/image.svg" src="" /></td><td>DLBMQMVLMWCROS-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[1-hydroxy-2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxane-2-carboxylic acid</td><td>346.376</td><td></td><td></td><td></td><td>InChI=1S/C16H26O8/c1-8-3-5-9(6-4-8)16(2,7-17)24-13-11(19)10(18)12(14(20)21)23-15(13)22/h3,9-13,15,17-19,22H,4-7H2,1-2H3,(H,20,21)</td><td>CC1=CCC(CC1)C(C)(CO)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.0784303567398945</td><td>3.6758392885398163</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002621">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2681"><td></td><td><a href="/entries/PHUB002623">8,9-dihydroxy-p-menthan-7-oic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8,9-dihydroxy-p-menthan-7-oic acid</td><td>PHUB002623</td><td>2681</td><td>202.12050906</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002623/image.svg" src="" /></td><td>BPQOJBDLNHDYDO-UHFFFAOYSA-N</td><td></td><td>4-(1,2-dihydroxypropan-2-yl)cyclohexane-1-carboxylic acid</td><td>202.25</td><td>2.97e+01 g/l</td><td>0.48</td><td>-0.83</td><td>InChI=1S/C10H18O4/c1-10(14,6-11)8-4-2-7(3-5-8)9(12)13/h7-8,11,14H,2-6H2,1H3,(H,12,13)</td><td>CC(O)(CO)C1CCC(CC1)C(O)=O</td><td>-3.0715280078930407</td><td>4.542262294532053</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002623">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2682"><td></td><td><a href="/entries/PHUB002624">8-hydroxy-p-menthan-7-oic acid-9-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8-hydroxy-p-menthan-7-oic acid-9-glucuronide</td><td>PHUB002624</td><td>2682</td><td>378.152597037</td><td>C<sub>16</sub>H<sub>26</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>8-hydroxy-p-menthan-7-oic acid-9-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002624/image.svg" src="" /></td><td>QEZQNDAPWNOOHQ-UHFFFAOYSA-N</td><td></td><td></td><td>378.374</td><td></td><td></td><td></td><td>InChI=1S/C16H26O10/c1-16(24,8-4-2-7(3-5-8)13(19)20)6-25-12-10(18)9(17)11(14(21)22)26-15(12)23/h7-12,15,17-18,23-24H,2-6H2,1H3,(H,19,20)(H,21,22)</td><td>CC(O)(COC1OC(C(O)C(O)C1O)C(O)=O)C1CCC(CC1)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002624">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2683"><td></td><td><a href="/entries/PHUB002625">9-hydroxy-p-menthan-7-oic acid-8-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>9-hydroxy-p-menthan-7-oic acid-8-glucuronide</td><td>PHUB002625</td><td>2683</td><td>378.152597037</td><td>C<sub>16</sub>H<sub>26</sub>O<sub>10</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>9-hydroxy-p-menthan-7-oic acid-8-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002625/image.svg" src="" /></td><td>CWPLPZRPMLMEKV-UHFFFAOYSA-N</td><td></td><td></td><td>378.374</td><td></td><td></td><td></td><td>InChI=1S/C16H26O10/c1-16(6-17,8-4-2-7(3-5-8)13(20)21)26-12-10(19)9(18)11(14(22)23)25-15(12)24/h7-12,15,17-19,24H,2-6H2,1H3,(H,20,21)(H,22,23)</td><td>CC(CO)(OC1OC(C(O)C(O)C1O)C(O)=O)C1CCC(CC1)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002625">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2686"><td></td><td><a href="/entries/PHUB002628">Dihydrocarveol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-8-en-6-glucuronide</td><td>PHUB002628</td><td>2686</td><td>330.167853177</td><td>C<sub>16</sub>H<sub>26</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-8-en-6-ol glucuronide</td><td class="structure"><img data-src="/structures/PHUB002628/image.svg" src="" /></td><td>FPYOBONSMBLNDR-UHFFFAOYSA-N</td><td></td><td></td><td>330.377</td><td></td><td></td><td></td><td>InChI=1S/C16H26O7/c1-7(2)9-5-4-8(3)10(6-9)22-14-12(18)11(17)13(15(19)20)23-16(14)21/h8-14,16-18,21H,1,4-6H2,2-3H3,(H,19,20)</td><td>CC1CCC(CC1OC1OC(C(O)C(O)C1O)C(O)=O)C(C)=C</td><td></td><td></td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002628">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2688"><td></td><td><a href="/entries/PHUB002630">p-mentha-8-en-7-ol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-8-en-7-glucuronide </td><td>PHUB002630</td><td>2688</td><td>330.167853177</td><td>C<sub>16</sub>H<sub>26</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-1-en-7-ol glucuronide</td><td class="structure"><img data-src="/structures/PHUB002630/image.svg" src="" /></td><td>NXZVFWQWQULPST-UHFFFAOYSA-N</td><td></td><td>3,4,5-trihydroxy-6-{[4-(prop-1-en-2-yl)cyclohexyl]methoxy}oxane-2-carboxylic acid</td><td>330.377</td><td></td><td></td><td></td><td>InChI=1S/C16H26O7/c1-8(2)10-5-3-9(4-6-10)7-22-14-12(18)11(17)13(15(19)20)23-16(14)21/h9-14,16-18,21H,1,3-7H2,2H3,(H,19,20)</td><td>CC(=C)C1CCC(COC2OC(C(O)C(O)C2O)C(O)=O)CC1</td><td>-3.6864920983021414</td><td>3.6252072741347217</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002630">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2689"><td></td><td><a href="/entries/PHUB002631">Perillyl-beta-D-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-mentha-1,8-dien-7-glucuronide</td><td>PHUB002631</td><td>2689</td><td>328.152203113</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-1,8-dienol-7-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002631/image.svg" src="" /></td><td>USSVDYQHMLZFBY-BBYIEOQPSA-N</td><td></td><td>(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methoxy}oxane-2-carboxylic acid</td><td>328.361</td><td>1.34e+01 g/l</td><td>0.41</td><td>-1.39</td><td>InChI=1S/C16H24O7/c1-8(2)10-5-3-9(4-6-10)7-22-16-13(19)11(17)12(18)14(23-16)15(20)21/h3,10-14,16-19H,1,4-7H2,2H3,(H,20,21)/t10?,11-,12-,13+,14-,16+/m0/s1</td><td>CC(=C)C1CCC(CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC1</td><td>-3.6865000329172193</td><td>3.5847715966694316</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002631">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2690"><td></td><td><a href="/entries/PHUB002632">p-menth-2,8-dien-1-ol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-2,8-dien-1-ol</td><td>PHUB002632</td><td>2690</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>p-mentha-2,8-dien-1-ol</td><td class="structure"><img data-src="/structures/PHUB002632/image.svg" src="" /></td><td>MKPMHJQMNACGDI-UHFFFAOYSA-N</td><td></td><td>1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol</td><td>152.237</td><td>9.70e-01 g/l</td><td>2.58</td><td>-2.20</td><td>InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3</td><td>CC(=C)C1CCC(C)(O)C=C1</td><td>-1.378221314827706</td><td>18.247779344243927</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002632">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2691"><td></td><td><a href="/entries/PHUB002633">dihydroperillic acid methyl ester</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>p-menth-8-en-7-oyl metilate</td><td>PHUB002633</td><td>2691</td><td>182.13067982</td><td>C<sub>11</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>methyl p-menth-8-en-7-carboxylate</td><td class="structure"><img data-src="/structures/PHUB002633/image.svg" src="" /></td><td>BPHNIGJZJBBHCU-UHFFFAOYSA-N</td><td></td><td>methyl 4-(prop-1-en-2-yl)cyclohexane-1-carboxylate</td><td>182.263</td><td>3.68e-01 g/l</td><td>3.01</td><td>-2.69</td><td>InChI=1S/C11H18O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h9-10H,1,4-7H2,2-3H3</td><td>COC(=O)C1CCC(CC1)C(C)=C</td><td>-7.06287921553948</td><td></td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002633">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2692"><td></td><td><a href="/entries/PHUB002634">perillic acid methyl ester</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>methyl-p-mentha-1,8-dien-7-oate</td><td>PHUB002634</td><td>2692</td><td>180.115029755</td><td>C<sub>11</sub>H<sub>16</sub>O<sub>2</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>methyl p-mentha-1,8-dien-7-carboxylate; p-mentha-1,8-dien-7-oic acid methyl ester</td><td class="structure"><img data-src="/structures/PHUB002634/image.svg" src="" /></td><td>JMMLJZJUVKEVCK-UHFFFAOYSA-N</td><td></td><td>methyl 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate</td><td>180.247</td><td>5.46e-01 g/l</td><td>3.27</td><td>-2.52</td><td>InChI=1S/C11H16O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h6,9H,1,4-5,7H2,2-3H3</td><td>COC(=O)C1=CCC(CC1)C(C)=C</td><td>-6.844979338240392</td><td></td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002634">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2693"><td></td><td><a href="/entries/PHUB002635">1,4-O-Dicaffeoylquinic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002635</td><td>2693</td><td>516.126776213</td><td>C<sub>25</sub>H<sub>24</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,4-Bis(3,4-dihydroxycinnamoyl)quinic acid</td><td class="structure"><img data-src="/structures/PHUB002635/image.svg" src="" /></td><td>IYXQRCXQQWUFQV-UHFFFAOYSA-N</td><td>1182-34-9</td><td></td><td>516.455</td><td>1.35e-01 g/l</td><td>2.06</td><td>-3.58</td><td>InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)</td><td>OC1CC(CC(O)C1OC(=O)\C=C/c1ccc(O)c(O)c1)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O </td><td></td><td></td><td><a href="/food_sources/219">Globe artichoke</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002635">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2694"><td></td><td><a href="/entries/PHUB002636">Blueberry (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002636</td><td>2694</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002636/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000586">Cinnamic acid</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002636">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2695"><td></td><td><a href="/entries/PHUB002637">Coffee Chlorogenic acids</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002637</td><td>2695</td><td></td><td></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002637/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB001177">4-Hydroxyphenylpropionic acid</a> / <a href="/entries/PHUB002454">Dihydrocoumaroylquinic acid</a> / <a href="/entries/PHUB002455">3-Dihydrocaffeoylquinic acid</a> / <a href="/entries/PHUB002456">4-Dihydrocaffeoylquinic acid</a> / <a href="/entries/PHUB002457">5-Dihydrocaffeoylquinic acid</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB001194">Coumaric acid-3'-glucuronide</a> / <a href="/entries/PHUB001198">Coumaric acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001199">Coumaric acid-4'-sulfate</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a> / <a href="/entries/PHUB001916">caffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001917">caffeic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001918">caffeic acid-4-O-sulfate</a> / <a href="/entries/PHUB002439">Methylferulic acid</a> / <a href="/entries/PHUB002441">3-Caffeoylquinic acid lactone-sulfate</a> / <a href="/entries/PHUB002442">4-Caffeoylquinic acid lactone-sulfate</a> / <a href="/entries/PHUB002443">3-Caï¬eoylquinic acid-sulfate</a> / <a href="/entries/PHUB002444">4-Caï¬eoylquinic acid-sulfate</a> / <a href="/entries/PHUB002458">Caffeoylquinic acid lactone sulfate</a> / <a href="/entries/PHUB002461">Feruloylquinic lactone glucuronide</a> / <a href="/entries/PHUB002471">4-Caffeoylquinic-1,5-lactone</a> / <a href="/entries/PHUB002472">5-Caffeoylquinic acid-3'-sulfate</a> / <a href="/entries/PHUB002473">5-Caffeoylquinic acid-4'-sulfate</a> / <a href="/entries/PHUB002474">3-Feruloylquinic-1,5-lactone</a> / <a href="/entries/PHUB002475">4-Feruloylquinic-1,5-lactone</a> / <a href="/entries/PHUB002476">5-Feruloylquinic acid-4'-glucuronide</a> / <a href="/entries/PHUB002477">5-Feruloylquinic acid-4'-sulfate</a> / <a href="/entries/PHUB002479">3-Caffeoylquinic-1,5-lactone</a> / <a href="/entries/PHUB000542">p-Hydroxybenzaldehyde</a> / <a href="/entries/PHUB001168">Dihydroferulic acid</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB001180">Vanilloyl-glycine</a> / <a href="/entries/PHUB001204">Dihydrocaffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001206">Dihydrocaffeic acid-4'-sulfate</a>
8 / <a href="/entries/PHUB001277">Isovanillic acid-3-O-glucuronide</a> / <a href="/entries/PHUB001288">Protocatechuic acid-3-O-glucuronide</a> / <a href="/entries/PHUB001293">Vanillic acid 4-O-glucuronide</a> / <a href="/entries/PHUB001294">Vanillic acid-4-O-sulfate</a> / <a href="/entries/PHUB001433">Dihydroisoferulic acid</a> / <a href="/entries/PHUB001434">Dihydroisoferulic acid-3'-glucuronide</a> / <a href="/entries/PHUB001435">Dihydroferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001436">Dihydroferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001582">Benzoic acid-4-O-glucuronide</a> / <a href="/entries/PHUB001583">Benzoic acid-4-O-sulfate</a> / <a href="/entries/PHUB001586">3-Phenylpropionic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001588">Dihydrocaffeic acid-3-sulfate</a> / <a href="/entries/PHUB001592">Dihydroisoferulic acid-3'-O-sulfate</a> / <a href="/entries/PHUB001969">Methylpyrogallol-O-sulfate</a> / <a href="/entries/PHUB002195">catechol-2-glucuronide</a> / <a href="/entries/PHUB002227">3-(Phenyl)propionic acid-4â²-sulfate</a> / <a href="/entries/PHUB002286">3-(phenyl)propionic acid-3â²-sulfate</a> / <a href="/entries/PHUB002438">Caffeic acid sulfate</a> / <a href="/entries/PHUB002440">isoFeruloylglycine</a> / <a href="/entries/PHUB002451">3',4'-Dimethoxyphenylpropanoic acid</a> / <a href="/entries/PHUB002452">3-Dihydroferuloylquinic acid</a> / <a href="/entries/PHUB002453">5-Dihydroferuloylquinic acid</a> / <a href="/entries/PHUB002459">Dihydrocaffeoylquinic acid-glucuronide</a> / <a href="/entries/PHUB002463">3-(3â²-Hydroxyphenyl)propionic acid-glucuronide</a> / <a href="/entries/PHUB002464">Syringic acid-4-sulfate</a> / <a href="/entries/PHUB002465">Trimethoxycinnamic acid-sulfate</a> / <a href="/entries/PHUB002466">Coumaroylquinic lactone-glucuronide</a> / <a href="/entries/PHUB002467">Catechol-sulfate</a> / <a href="/entries/PHUB002468">Methylcatechol-sulfate</a> / <a href="/entries/PHUB002488">Guaiacol sulfate</a> / <a href="/entries/PHUB002489">Guaiacol glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002637">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2696"><td></td><td><a href="/entries/PHUB002638">Cranberry (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002638</td><td>2696</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002638/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000586">Cinnamic acid</a> / <a href="/entries/PHUB000588">Coumaric acid (m-)</a> / <a href="/entries/PHUB000589">Coumaric acid (o-)</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001916">caffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001917">caffeic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB000638">Sinapic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001198">Coumaric acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002638">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2697"><td></td><td><a href="/entries/PHUB002639">Globe artichoke (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002639</td><td>2697</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002639/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000531">3-Feruloylquinic acid</a> / <a href="/entries/PHUB000541">4-Feruloylquinic acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB001199">Coumaric acid-4'-sulfate</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a> / <a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a> / <a href="/entries/PHUB001917">caffeic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001918">caffeic acid-4-O-sulfate</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001916">caffeic acid-3'-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002639">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2698"><td></td><td><a href="/entries/PHUB002640">Olive oil (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002640</td><td>2698</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002640/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001199">Coumaric acid-4'-sulfate</a> / <a href="/entries/PHUB002438">Caffeic acid sulfate</a> / <a href="/entries/PHUB002386">Hydroxytyrosol acetate sulfate</a> / <a href="/entries/PHUB002676">Hydroxytyrosol sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002640">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2699"><td></td><td><a href="/entries/PHUB002641">Rosemary tea (poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002641</td><td>2699</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002641/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB002445">3,3'-Dimethoxyrosmarinic acid-4-glucuronide</a> / <a href="/entries/PHUB002446">3'-Methoxyrosmarinic acid-4'-glucuronide</a> / <a href="/entries/PHUB002447">Dimethoxyrosmarinic acid-sulfate</a> / <a href="/entries/PHUB002448">3',4-Dimethoxyrosmarinic acid</a> / <a href="/entries/PHUB002449">3,4'-Dimethoxyrosmarinic acid-4-glucuronide</a> / <a href="/entries/PHUB002450">Methoxyrosmarinic acid-sulfate</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB002440">isoFeruloylglycine</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002641">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2700"><td></td><td><a href="/entries/PHUB002642">Tomato (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002642</td><td>2700</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002642/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB002437">Caffeic acid glucuronide</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001198">Coumaric acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001199">Coumaric acid-4'-sulfate</a> / <a href="/entries/PHUB002438">Caffeic acid sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002642">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2701"><td></td><td><a href="/entries/PHUB002643">Yerba mate Chlorogenic acids</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002643</td><td>2701</td><td></td><td></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002643/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB001177">4-Hydroxyphenylpropionic acid</a> / <a href="/entries/PHUB002454">Dihydrocoumaroylquinic acid</a> / <a href="/entries/PHUB002455">3-Dihydrocaffeoylquinic acid</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a> / <a href="/entries/PHUB002458">Caffeoylquinic acid lactone sulfate</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB001168">Dihydroferulic acid</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB001204">Dihydrocaffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001206">Dihydrocaffeic acid-4'-sulfate</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001433">Dihydroisoferulic acid</a> / <a href="/entries/PHUB001434">Dihydroisoferulic acid-3'-glucuronide</a> / <a href="/entries/PHUB001435">Dihydroferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001436">Dihydroferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001586">3-Phenylpropionic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001588">Dihydrocaffeic acid-3-sulfate</a> / <a href="/entries/PHUB001592">Dihydroisoferulic acid-3'-O-sulfate</a> / <a href="/entries/PHUB002227">3-(Phenyl)propionic acid-4â²-sulfate</a> / <a href="/entries/PHUB002440">isoFeruloylglycine</a> / <a href="/entries/PHUB002452">3-Dihydroferuloylquinic acid</a> / <a href="/entries/PHUB002453">5-Dihydroferuloylquinic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002643">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2702"><td></td><td><a href="/entries/PHUB002644">Grape (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002644</td><td>2702</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002644/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000574">Caffeic acid</a> / <a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB001199">Coumaric acid-4'-sulfate</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001918">caffeic acid-4-O-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002644">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2703"><td></td><td><a href="/entries/PHUB002645">Orange (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002645</td><td>2703</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002645/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002645">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2704"><td></td><td><a href="/entries/PHUB002646">Propolis (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002646</td><td>2704</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002646/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000590">Coumaric acid (p-)</a> / <a href="/entries/PHUB002483">artepillin C-4-O-β-D-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002646">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2705"><td></td><td><a href="/entries/PHUB002647">Artepillin C</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3, 5-diprenyl-4-hydroxycinnamic acid</td><td>PHUB002647</td><td>2705</td><td>300.172544633</td><td>C<sub>19</sub>H<sub>24</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>3, 5-diprenyl-4-hydroxycinnamic acid; ArtC</td><td class="structure"><img data-src="/structures/PHUB002647/image.svg" src="" /></td><td>KABCFARPAMSXCC-JXMROGBWSA-N</td><td></td><td>(2E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid</td><td>300.398</td><td>3.40e-03 g/l</td><td>4.70</td><td>-4.95</td><td>InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+</td><td>CC(C)=CCC1=CC(\C=C\C(O)=O)=CC(CC=C(C)C)=C1O</td><td>-6.058100762250739</td><td>3.7410680842046586</td><td></td><td><a href="/entries/PHUB002483">artepillin C-4-O-β-D-glucuronide</a> / <a href="/entries/PHUB002647">Artepillin C</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002647">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2706"><td></td><td><a href="/entries/PHUB002648">Red Raspberries Anthocyanins</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002648</td><td>2706</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002648/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a> / <a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002648">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2707"><td></td><td><a href="/entries/PHUB002649">Wheat (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002649</td><td>2707</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002649/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000608">Ferulic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002649">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2709"><td></td><td><a href="/entries/PHUB002651">Hazelnut Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002651</td><td>2709</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002651/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB001041">(Epi)gallocatechin O-glucuronide</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB002188">(Epi)catechin-sulfate-glucuronide</a> / <a href="/entries/PHUB002206">Methoxy-(epi)catechin-glucuronide</a> / <a href="/entries/PHUB002239">(Epi)catechin-disulfate</a> / <a href="/entries/PHUB002245">Procyanidin B-type sulfate</a> / <a href="/entries/PHUB001042">(Epi)gallocatechin O-sulfate</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001751">5-(Phenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB002146">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002156">5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</a> / <a href="/entries/PHUB002180">5-(Phenyl)-γ-valerolactone-methoxy-sulfate</a> / <a href="/entries/PHUB002185">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-sulfate</a> / <a href="/entries/PHUB002234">5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</a> / <a href="/entries/PHUB002247">5-(Phenyl)-γ-valerolactone-4'-glucuronide</a> / <a href="/entries/PHUB002251">5-(Phenyl)valeric acid-methoxy-sulfate</a> / <a href="/entries/PHUB002262">5-(Phenyl)valeric acid-3â²-glucuronide</a> / <a href="/entries/PHUB002263">5-(4â²-Hydroxyphenyl)-valeric acid-3â²-sulfate</a> / <a href="/entries/PHUB002264">5-(Phenyl)valeric acid-3â²-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002651">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2710"><td></td><td><a href="/entries/PHUB002652">Oat (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002652</td><td>2710</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002652/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB001212">Isoferulic acid-3'-sulfate</a> / <a href="/entries/PHUB001431">Sinapic acid-O-sulfate</a> / <a href="/entries/PHUB001432">Isoferulic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001964">Hydroxycinnamic acid sulfate</a> / <a href="/entries/PHUB002438">Caffeic acid sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002652">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2711"><td></td><td><a href="/entries/PHUB002653">Red grape pomace (Poly)phenols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002653</td><td>2711</td><td></td><td></td><td>Polyphenols</td><td>Not specified</td><td>Not specified</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002653/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001173">Feruloylglycine</a> / <a href="/entries/PHUB001431">Sinapic acid-O-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002653">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2712"><td></td><td><a href="/entries/PHUB002654">Red Wine Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002654</td><td>2712</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002654/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001993">5-(3',4'-dihydroxyphenyl)-γ-valerolactone</a> / <a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a> / <a href="/entries/PHUB002206">Methoxy-(epi)catechin-glucuronide</a> / <a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002654">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2713"><td></td><td><a href="/entries/PHUB002655">Red Grape pomace Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002655</td><td>2713</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002655/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001993">5-(3',4'-dihydroxyphenyl)-γ-valerolactone</a> / <a href="/entries/PHUB002235">5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone</a> / <a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB002188">(Epi)catechin-sulfate-glucuronide</a> / <a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a> / <a href="/entries/PHUB001751">5-(Phenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB002146">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002183">5-(Phenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002234">5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</a> / <a href="/entries/PHUB002242">5-(Phenyl)-valeric acid-sulfate-glucuronide</a> / <a href="/entries/PHUB002156">5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</a> / <a href="/entries/PHUB002180">5-(Phenyl)-γ-valerolactone-methoxy-sulfate</a> / <a href="/entries/PHUB002185">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-sulfate</a> / <a href="/entries/PHUB002206">Methoxy-(epi)catechin-glucuronide</a> / <a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002655">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2714"><td></td><td><a href="/entries/PHUB002656">Cocoa Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002656</td><td>2714</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002656/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB002188">(Epi)catechin-sulfate-glucuronide</a> / <a href="/entries/PHUB001751">5-(Phenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB002179">5-(Hydroxyphenyl)-γ-valerolactone-sulfate</a> / <a href="/entries/PHUB002146">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002156">5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</a> / <a href="/entries/PHUB002183">5-(Phenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002234">5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</a> / <a href="/entries/PHUB001993">5-(3',4'-dihydroxyphenyl)-γ-valerolactone</a> / <a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a> / <a href="/entries/PHUB000310">Protocatechuic acid</a> / <a href="/entries/PHUB000527">3',4'-Dihydroxyphenylacetic acid</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB001047">3-(3'-Hydroxyphenyl)propionic acid</a> / <a href="/entries/PHUB001048">3'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001249">5-(3'-Hydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001989">4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate</a> / <a href="/entries/PHUB001995">5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate</a> / <a href="/entries/PHUB002163">5-(Phenyl)-γ-valerolactone-methoxy-glucuronide</a> / <a href="/entries/PHUB000617">
8Homovanillic acid</a> / <a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001168">Dihydroferulic acid</a> / <a href="/entries/PHUB001334">4-Hydroxyhippuric acid</a> / <a href="/entries/PHUB002180">5-(Phenyl)-γ-valerolactone-methoxy-sulfate</a> / <a href="/entries/PHUB002238">4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide</a> / <a href="/entries/PHUB001029">(-)-Epicatechin 3'-O-glucuronide</a> / <a href="/entries/PHUB002150">(â)-Epicatechin-sulfate</a> / <a href="/entries/PHUB001241">(Epi)catechin</a> / <a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB001030">(-)-Epicatechin 3'-O-sulfate</a> / <a href="/entries/PHUB001050">3'-O-Methyl-(-)-epicatechin 5-O-sulfate</a> / <a href="/entries/PHUB001051">3'-O-Methyl-(-)-epicatechin 7-O-sulfate</a> / <a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002656">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2715"><td></td><td><a href="/entries/PHUB002657">Green tea Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002657</td><td>2715</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002657/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001834">5-(4â-hydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001993">5-(3',4'-dihydroxyphenyl)-γ-valerolactone</a> / <a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB001041">(Epi)gallocatechin O-glucuronide</a> / <a href="/entries/PHUB002158">Methoxy-(epi)gallocatechin-glucuronide</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB002188">(Epi)catechin-sulfate-glucuronide</a> / <a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a> / <a href="/entries/PHUB002206">Methoxy-(epi)catechin-glucuronide</a> / <a href="/entries/PHUB002241">Methoxy-(epi)gallocatechin-sulfate-glucuronide</a> / <a href="/entries/PHUB001751">5-(Phenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB002156">5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</a> / <a href="/entries/PHUB002160">5-(Hydroxyphenyl)-γ-valerolactone-glucuronide</a> / <a href="/entries/PHUB002176">5-(Dihydroxyphenyl)-γ-valerolactone-glucuronide</a> / <a href="/entries/PHUB002178">5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate</a> / <a href="/entries/PHUB002179">5-(Hydroxyphenyl)-γ-valerolactone-sulfate</a> / <a href="/entries/PHUB002183">5-(Phenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002159">5-(Phenyl)-γ-valerolactone-glucuronide</a> / <a href="/entries/PHUB002161">5-(Phenyl)-γ-valerolactone-3â²,5â²-disulfate</a> / <a href="/entries/PHUB002162">5-(Phenyl)-γ-valerolactone-4',5'-disulfate</a> / <a href="/entries/PHUB002163">5-(Phenyl)-γ-valerolactone-methoxy-glucuronide</a> / <a href="/entries/PHUB002186">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002267">5-(Phenyl)-γ-valerolactone-sulfate</a> / <a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a> / <a href="/entries/PHUB002165">(â)-Epigallocatechin-glucuronide</a> / <a href="/entries/PHUB002166">(â)-Epigallocatechin-sulfate</a> / <a href="/entries/PHUB002167">Methoxy-(â)-epigallocatechin-glucuronide</a> / <a href="/entries/PHUB002168">Methoxy-(â)-epigallocatechin-sulfate</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB001443">Syringic acid-4-O-glucuronide</a> / <a href="/entries/PHUB002173">Benzoic acid-sulfate</a> / <a href="/entries/PHUB002174">3,5-Dimethoxy-hydroxybenzoic acid-4-sulfate</a> / <a href="/entries/PHUB002175">Hippuric acid-sulfate</a> / <a href="/entries/PHUB002177">5-(Dihydroxyphenyl)-γ-valerolactone-sulfate</a> / <a href="/entries/PHUB002180">5-(Phenyl)-γ-valerolactone-methoxy-sulfate</a> / <a href="/entries/PHUB002200">5-(Hydroxyphenyl)-γ-valerolactone-methoxy-glucuronide</a> / <a href="/entries/PHUB002231">Benzoic acid-3-sulfate</a> / <a href="/entries/PHUB002269">3-Methoxy-trihydroxybenzoic acid</a> / <a href="/entries/PHUB002270">Methoxy-dihydroxybenzoic acid-sulfate</a> / <a href="/entries/PHUB002271">Trihydroxybenzoic acid-glucuronide</a> / <a href="/entries/PHUB002272">Methoxy-dihydroxybenzoic acid-glucuronide</a> / <a href="/entries/PHUB001035">(-)-Epicatechin glucuronide</a> / <a href="/entries/PHUB002236">Methoxy-(â)-epicatechin-sulfate</a> / <a href="/entries/PHUB001037">(-)-Epicatechin sulfoglucuronide</a> / <a href="/entries/PHUB002150">(â)-Epicatechin-sulfate</a> / <a href="/entries/PHUB002181">Methoxy-(â)-epigallocatechin-sulfate-glucuronide</a> / <a href="/entries/PHUB002145">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-methoxy</a> / <a href="/entries/PHUB000295">p-Hydroxybenzoic acid</a> / <a href="/entries/PHUB000543">4'
8-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB000583">Catechol</a> / <a href="/entries/PHUB000617">Homovanillic acid</a> / <a href="/entries/PHUB000632">Pyrogallol</a> / <a href="/entries/PHUB001331">3-(3'-Hydroxyphenyl)hydracrylic acid</a> / <a href="/entries/PHUB001833">5-(3â,4â,5â-trihydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001029">(-)-Epicatechin 3'-O-glucuronide</a> / <a href="/entries/PHUB001058">4'-O-methyl(epi)gallocatechin O-glucuronide</a> / <a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001064">Methyl-(-)-epicatechin sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002657">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2716"><td></td><td><a href="/entries/PHUB002658">Almond Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002658</td><td>2716</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002658/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB002216">5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a> / <a href="/entries/PHUB002206">Methoxy-(epi)catechin-glucuronide</a> / <a href="/entries/PHUB001755">5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB002146">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002187">5-(Phenyl)-γ-valerolactone-4â²-methoxy-3â²-sulfate</a> / <a href="/entries/PHUB002212">5-(Phenyl)-γ-valerolactone-3â²-methoxy-4â²-glucuronide</a> / <a href="/entries/PHUB002213">5-(Phenyl)-γ-valerolactone-4â²-methoxy-3â²-glucuronide</a> / <a href="/entries/PHUB002234">5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002658">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2717"><td></td><td><a href="/entries/PHUB002659">Apple Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002659</td><td>2717</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002659/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001751">5-(Phenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB001989">4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate</a> / <a href="/entries/PHUB001995">5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate</a> / <a href="/entries/PHUB002156">5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</a> / <a href="/entries/PHUB002163">5-(Phenyl)-γ-valerolactone-methoxy-glucuronide</a> / <a href="/entries/PHUB002183">5-(Phenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002187">5-(Phenyl)-γ-valerolactone-4â²-methoxy-3â²-sulfate</a> / <a href="/entries/PHUB002216">5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate</a> / <a href="/entries/PHUB002238">4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide</a> / <a href="/entries/PHUB002258">4-Hydroxy-5-(phenyl)valeric acid-methoxy-sulfate</a> / <a href="/entries/PHUB001993">5-(3',4'-dihydroxyphenyl)-γ-valerolactone</a> / <a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB002188">(Epi)catechin-sulfate-glucuronide</a> / <a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a> / <a href="/entries/PHUB002239">(Epi)catechin-disulfate</a> / <a href="/entries/PHUB002159">5-(Phenyl)-γ-valerolactone-glucuronide</a> / <a href="/entries/PHUB002146">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a> / <a href="/entries/PHUB001755">5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB002234">5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002659">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2718"><td></td><td><a href="/entries/PHUB002660">
8Black tea Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002660</td><td>2718</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002660/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001040">(Epi)catechin O-sulfate</a> / <a href="/entries/PHUB001043">(Epi)gallocatechin-3-O-gallate O-sulfate</a> / <a href="/entries/PHUB002164">Methoxy-(epi)catechin-sulfate</a> / <a href="/entries/PHUB002203">Methoxy-(Epi)gallocatechin-sulfate</a> / <a href="/entries/PHUB002204">Dimethoxy-(epi)gallocatechin-sulfate</a> / <a href="/entries/PHUB002252">Methoxy-(epi)catechin-3-O-gallate-sulfate</a> / <a href="/entries/PHUB002253">Methoxy-(epi)catechin-3-O-gallate-sulfate-glucuronide</a> / <a href="/entries/PHUB001038">(Epi)catechin 3-O-gallate O-sulfate</a> / <a href="/entries/PHUB002255">(Epi)catechin-3-O-gallate-sulfate-glucuronide</a> / <a href="/entries/PHUB002257">Methoxy-(epi)gallocatechin-3-O-gallate-sulfate</a> / <a href="/entries/PHUB001161">3-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB001375">Homovanillic acid sulfate</a> / <a href="/entries/PHUB001751">5-(Phenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB001755">5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB002146">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002156">5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</a> / <a href="/entries/PHUB002178">5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate</a> / <a href="/entries/PHUB002180">5-(Phenyl)-γ-valerolactone-methoxy-sulfate</a> / <a href="/entries/PHUB002183">5-(Phenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002185">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-sulfate</a> / <a href="/entries/PHUB002186">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002191">5-(Phenyl)-γ-valerolactone-5â²-methoxy-3â²-glucuronide</a> / <a href="/entries/PHUB002192">Pyrogallol 2-O-glucuronide</a> / <a href="/entries/PHUB002193">1-methoxy-benzene-2-sulfate</a> / <a href="/entries/PHUB002194">2-methoxy-benzene-1-sulfate</a> / <a href="/entries/PHUB002195">catechol-2-glucuronide</a> / <a href="/entries/PHUB002196">Hydroxy-benzene-sulfate</a> / <a href="/entries/PHUB002197">5-(4â²,5â²-Dihydroxyphenyl)-γ-valerolactone 3â²-glucuronide</a> / <a href="/entries/PHUB002198">5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone 4â²-glucuronide</a> / <a href="/entries/PHUB002199">5-(4â²,5â²-Dihydroxyphenyl)-γ-valerolactone 3â²-sulfate</a> / <a href="/entries/PHUB002200">5-(Hydroxyphenyl)-γ-valerolactone-methoxy-glucuronide</a> / <a href="/entries/PHUB002201">5-(Hydroxyphenyl)-γ-valerolactone-sulfate-glucuronide</a> / <a href="/entries/PHUB002224">4-Hydroxy-5-(hydroxyphenyl)valeric acid-sulfate</a> / <a href="/entries/PHUB002234">5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</a> / <a href="/entries/PHUB002247">5-(Phenyl)-γ-valerolactone-4'-glucuronide</a> / <a href="/entries/PHUB002251">5-(Phenyl)valeric acid-methoxy-sulfate</a> / <a href="/entries/PHUB002258">4-Hydroxy-5-(phenyl)valeric acid-methoxy-sulfate</a> / <a href="/entries/PHUB002259">4-Hydroxy-5-(hydroxyphenyl)valeric acid-glucuronide</a> / <a href="/entries/PHUB002260">4-Hydroxy-5-(phenyl)valeric acid-methoxy-glucuronide</a> / <a href="/entries/PHUB002261">4-Hydroxy-5-(hydroxyphenyl)valeric acid-methoxy-glucuronide</a> / <a href="/entries/PHUB002268">Pyrogallol 2-O-sulfate</a> / <a href="/entries/PHUB002256">(Epi)gallocatechin-3-O-gallate</a> / <a href="/entries/PHUB002265">(Epi)catechin-3-O-gallate</a> / <a href="/entries/PHUB000294">3-Hydroxybenzoic acid</a> / <a href="/entries/PHUB000295">p-Hydroxybenzoic acid</a> / <a href="/entries/PHUB000303">Gallic acid</a> / <a href="/entries/PHUB000310">Protocatechuic acid</a> / <a href="/entries/PHUB000527">3',4'
8-Dihydroxyphenylacetic acid</a> / <a href="/entries/PHUB000543">4'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB000583">Catechol</a> / <a href="/entries/PHUB000604">Dihydrocaffeic acid</a> / <a href="/entries/PHUB000605">Phloretic acid</a> / <a href="/entries/PHUB000608">Ferulic acid</a> / <a href="/entries/PHUB000622">Isoferulic acid</a> / <a href="/entries/PHUB000632">Pyrogallol</a> / <a href="/entries/PHUB001048">3'-Hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001068">Phenylacetic acid</a> / <a href="/entries/PHUB001126">Phloroglucinol</a> / <a href="/entries/PHUB001584">4-Hydroxymandelic acid</a> / <a href="/entries/PHUB001987">4-hydroxy-5-(3',4'-dihydroxyphenyl)valeric acid</a> / <a href="/entries/PHUB001035">(-)-Epicatechin glucuronide</a> / <a href="/entries/PHUB002153">Methoxy-(â)-epicatechin-glucuronide</a> / <a href="/entries/PHUB001170">Ferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001171">Ferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001204">Dihydrocaffeic acid-3'-O-glucuronide</a> / <a href="/entries/PHUB001206">Dihydrocaffeic acid-4'-sulfate</a> / <a href="/entries/PHUB001289">Protocatechuic acid-3-O-sulfate</a> / <a href="/entries/PHUB001334">4-Hydroxyhippuric acid</a> / <a href="/entries/PHUB001435">Dihydroferulic acid-4'-O-glucuronide</a> / <a href="/entries/PHUB001436">Dihydroferulic acid-4'-sulfate</a> / <a href="/entries/PHUB001583">Benzoic acid-4-O-sulfate</a> / <a href="/entries/PHUB001585">Vanillylmandelic acid</a> / <a href="/entries/PHUB001588">Dihydrocaffeic acid-3-sulfate</a> / <a href="/entries/PHUB001594">Caffeic acid 3'-sulfate</a> / <a href="/entries/PHUB001861">4'-O-Methylgallic acid</a> / <a href="/entries/PHUB001920">3'-Methoxy-4'-hydroxyphenylacetic acid</a> / <a href="/entries/PHUB001921">3-Hydroxybenzoic acid-4-sulfate</a> / <a href="/entries/PHUB001967">Pyrogallol 1-O-sulfate</a> / <a href="/entries/PHUB001995">5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate</a> / <a href="/entries/PHUB002160">5-(Hydroxyphenyl)-γ-valerolactone-glucuronide</a> / <a href="/entries/PHUB002218">5-(3â²,5â²-Dihydroxyphenyl)-γ-valerolactone-4â²-sulfate</a> / <a href="/entries/PHUB002220">4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate</a> / <a href="/entries/PHUB002221">4-Hydroxy-5-(phenyl)valeric acid-4'-sulfate</a> / <a href="/entries/PHUB002222">5-(4'-Hydroxyphenyl)valeric acid-3'-glucuronide</a> / <a href="/entries/PHUB002223">5-(3'-Hydroxyphenyl)valeric acid-4'-glucuronide</a> / <a href="/entries/PHUB002225">5-(Phenyl)valeric acid-sulfate</a> / <a href="/entries/PHUB002226">5-(Phenyl)valeric acid-glucuronide</a> / <a href="/entries/PHUB002227">3-(Phenyl)propionic acid-4â²-sulfate</a> / <a href="/entries/PHUB002228">3â²-Methoxyphenylacetic acid-4â²-sulfate</a> / <a href="/entries/PHUB002229">4â²-Methoxyphenylacetic acid-3â²-sulfate</a> / <a href="/entries/PHUB002230">Methoxyphenylacetic acid-glucuronide</a> / <a href="/entries/PHUB002231">Benzoic acid-3-sulfate</a> / <a href="/entries/PHUB002269">3-Methoxy-trihydroxybenzoic acid</a> / <a href="/entries/PHUB002165">(â)-Epigallocatechin-glucuronide</a> / <a href="/entries/PHUB002168">Methoxy-(â)-epigallocatechin-sulfate</a> / <a href="/entries/PHUB003023">Resorcinol glucuronide</a> / <a href="/entries/PHUB001066">O-Methyl(epi)catechin-3-O-gallate O-sulfate</a> / <a href="/entries/PHUB001067">O-Methyl(epi)gallocatechin-3-O-gallate O-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002660">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2719"><td></td><td><a href="/entries/PHUB002661">Chocolate flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002661</td><td>2719</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002661/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001174">Hippuric acid</a> / <a href="/entries/PHUB001334">4-Hydroxyhippuric acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002661">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2720"><td></td><td><a href="/entries/PHUB002662">Cranberry Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002662</td><td>2720</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002662/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001993">5-(3',4'-dihydroxyphenyl)-γ-valerolactone</a> / <a href="/entries/PHUB002182">5-(Phenyl)-γ-valerolactone-4â²-sulfate</a> / <a href="/entries/PHUB001751">5-(Phenyl)-gamma-valerolactone-3'-sulfate</a> / <a href="/entries/PHUB002146">5-(4â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002156">5-(Phenyl)-γ-valerolactone-sulfate-glucuronide</a> / <a href="/entries/PHUB002163">5-(Phenyl)-γ-valerolactone-methoxy-glucuronide</a> / <a href="/entries/PHUB002183">5-(Phenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002185">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-sulfate</a> / <a href="/entries/PHUB002186">5-(5â²-Hydroxyphenyl)-γ-valerolactone-3â²-glucuronide</a> / <a href="/entries/PHUB002187">5-(Phenyl)-γ-valerolactone-4â²-methoxy-3â²-sulfate</a> / <a href="/entries/PHUB002216">5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate</a> / <a href="/entries/PHUB002234">5-(3â²-Hydroxyphenyl)-γ-valerolactone-4â²-glucuronide</a> / <a href="/entries/PHUB002247">5-(Phenyl)-γ-valerolactone-4'-glucuronide</a> / <a href="/entries/PHUB001995">5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate</a> / <a href="/entries/PHUB001060">5-(3',4'-dihydroxyphenyl)-gamma-valerolactone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002662">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2721"><td></td><td><a href="/entries/PHUB002663">Grape Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002663</td><td>2721</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002663/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002203">Methoxy-(Epi)gallocatechin-sulfate</a> / <a href="/entries/PHUB001039">(Epi)catechin O-glucuronide</a> / <a href="/entries/PHUB002206">Methoxy-(epi)catechin-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002663">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2722"><td></td><td><a href="/entries/PHUB002664">Red Apple Flavan-3-ols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002664</td><td>2722</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavan-3-ols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002664/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002664">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2723"><td></td><td><a href="/entries/PHUB002665">Scopoletin 7-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3-(1,1-Dimethylallyl)scopoletin 7-glucoside</td><td>PHUB002665</td><td>2723</td><td>422.157682417</td><td>C<sub>21</sub>H<sub>26</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Coumarins and Furanocoumarins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002665/image.svg" src="" /></td><td>USJIZVPRNYRDEY-UHFFFAOYNA-N</td><td>208333-72-6</td><td>6-methoxy-3-(2-methylbut-3-en-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one</td><td>422.43</td><td>1.37e+00 g/l</td><td>0.90</td><td>-2.49</td><td>InChI=1/C21H26O9/c1-5-21(2,3)11-6-10-7-13(27-4)14(8-12(10)28-19(11)26)29-20-18(25)17(24)16(23)15(9-22)30-20/h5-8,15-18,20,22-25H,1,9H2,2-4H3</td><td>COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC(=O)C(=CC2=C1)C(C)(C)C=C</td><td>-2.9810923549436046</td><td>12.200013122172626</td><td><a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002665">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2724"><td></td><td><a href="/entries/PHUB002666">Chamazulene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>1,4-Dimethyl-7-ethylazulene</td><td>PHUB002666</td><td>2724</td><td>184.125200515</td><td>C<sub>14</sub>H<sub>16</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002666/image.svg" src="" /></td><td>GXGJIOMUZAGVEH-UHFFFAOYSA-N</td><td>529-05-5</td><td>7-ethyl-1,4-dimethylazulene</td><td>184.282</td><td>2.24e-01 g/l</td><td>5.45</td><td>-2.92</td><td>InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3</td><td>CCC1=CC=C(C)C2=CC=C(C)C2=C1</td><td></td><td></td><td><a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002666">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2725"><td></td><td><a href="/entries/PHUB002667">Curcuminoids</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002667</td><td>2725</td><td></td><td></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002667/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002273">Tetrahydrocurcumin</a> / <a href="/entries/PHUB002274">hexahydrocurcumin</a> / <a href="/entries/PHUB002275">octahydrocurcumin</a> / <a href="/entries/PHUB001674">Demethoxycurcumin</a> / <a href="/entries/PHUB001671">Bisdemethoxycurcumin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002667">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2726"><td></td><td><a href="/entries/PHUB002668">3,4-DHPEA-EA glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002668</td><td>2726</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002668/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001699">3,4-DHPEA-EA</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002668">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2727"><td></td><td><a href="/entries/PHUB002669">Vanillin-4-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002669</td><td>2727</td><td>328.079432095</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002669/image.svg" src="" /></td><td>FHLOUKKMIKQAHL-BYNIDDHOSA-N</td><td></td><td>(2R,3S,4S,5R,6S)-6-(4-formyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>328.273</td><td>1.11e+01 g/l</td><td>-0.74</td><td>-1.47</td><td>InChI=1S/C14H16O9/c1-21-8-4-6(5-15)2-3-7(8)22-14-11(18)9(16)10(17)12(23-14)13(19)20/h2-5,9-12,14,16-18H,1H3,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1</td><td>[H][C@@]1(OC2=C(OC)C=C(C=O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td>-3.6868279760639298</td><td>3.0318887892787645</td><td></td><td><a href="/entries/PHUB000645">Vanillin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002669">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2728"><td></td><td><a href="/entries/PHUB002670">4-Methoxy-phenylethanol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002670</td><td>2728</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002670/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001371">Tyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002670">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2729"><td></td><td><a href="/entries/PHUB002671">4-Methoxy-phenylethanol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002671</td><td>2729</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002671/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001371">Tyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002671">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2730"><td></td><td><a href="/entries/PHUB002672">Homovanillyl alcohol-4â²-O-β-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002672</td><td>2730</td><td>344.110732224</td><td>C<sub>15</sub>H<sub>20</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002672/image.svg" src="" /></td><td>FPHRLHBSOJUFOE-XIPBYXJENA-N</td><td></td><td></td><td>344.316</td><td>1.12e+01 g/l</td><td>-0.83</td><td>-1.49</td><td>InChI=1/C15H20O9/c1-22-9-6-7(4-5-16)2-3-8(9)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-3,6,10-13,15-19H,4-5H2,1H3,(H,20,21)/t10-,11-,12+,13-,15+/s2</td><td>[H][C@@]1(OC2=C(OC)C=C(CCO)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB001440">Homovanillyl alcohol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002672">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2731"><td></td><td><a href="/entries/PHUB002673">Homovanillic alcohol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Homovanillic alcohol glucuronide</td><td>PHUB002673</td><td>2731</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002673/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002678">Virgin olive oil Secoiridoids</a> / <a href="/entries/PHUB001698">Hydroxytyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002673">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2732"><td></td><td><a href="/entries/PHUB002674">Homovanillic alcohol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002674</td><td>2732</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002674/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002678">Virgin olive oil Secoiridoids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002674">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2733"><td></td><td><a href="/entries/PHUB002675">Hydroxytyrosol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxytyrosol glucuronide </td><td>PHUB002675</td><td>2733</td><td></td><td></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002675/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001698">Hydroxytyrosol</a> / <a href="/entries/PHUB002678">Virgin olive oil Secoiridoids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002675">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2734"><td></td><td><a href="/entries/PHUB002676">Hydroxytyrosol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Hydroxytyrosol-sulfate</td><td>PHUB002676</td><td>2734</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002676/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001698">Hydroxytyrosol</a> / <a href="/entries/PHUB002678">Virgin olive oil Secoiridoids</a> / <a href="/entries/PHUB002640">Olive oil (Poly)phenols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002676">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2735"><td></td><td><a href="/entries/PHUB002677">Hydroxytyrosol sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002677</td><td>2735</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002677/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001698">Hydroxytyrosol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002677">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2736"><td></td><td><a href="/entries/PHUB002678">Virgin olive oil Secoiridoids</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002678</td><td>2736</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002678/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001375">Homovanillic acid sulfate</a> / <a href="/entries/PHUB000617">
8Homovanillic acid</a> / <a href="/entries/PHUB002386">Hydroxytyrosol acetate sulfate</a> / <a href="/entries/PHUB002676">Hydroxytyrosol sulfate</a> / <a href="/entries/PHUB002673">Homovanillic alcohol glucuronide</a> / <a href="/entries/PHUB002674">Homovanillic alcohol sulfate</a> / <a href="/entries/PHUB002675">Hydroxytyrosol glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002678">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2737"><td></td><td><a href="/entries/PHUB002679">3,4-DHPEA-EDA glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002679</td><td>2737</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Oleuropein metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002679/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001700">3,4-DHPEA-EDA</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002679">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2738"><td></td><td><a href="/entries/PHUB002680">Schizandrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002680</td><td>2738</td><td>432.21480337</td><td>C<sub>24</sub>H<sub>32</sub>O<sub>7</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002680/image.svg" src="" /></td><td>YEFOAORQXAOVJQ-UHFFFAOYNA-N</td><td></td><td>3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0^{2,7}]hexadeca-1(12),2,4,6,13,15-hexaen-9-ol</td><td>432.513</td><td>1.17e-02 g/l</td><td>3.76</td><td>-4.57</td><td>InChI=1/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3</td><td>COC1=CC2=C(C(OC)=C1OC)C1=C(OC)C(OC)=C(OC)C=C1CC(C)(O)C(C)C2</td><td>-2.9563822075017328</td><td>14.639729749653101</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002680">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2739"><td></td><td><a href="/entries/PHUB002681">Schisandrol B</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002681</td><td>2739</td><td>416.183503242</td><td>C<sub>23</sub>H<sub>28</sub>O<sub>7</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002681/image.svg" src="" /></td><td>ZWRRJEICIPUPHZ-SFDCACGMSA-N</td><td></td><td>(9R,10R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol</td><td>416.47</td><td>2.60e-02 g/l</td><td>3.37</td><td>-4.21</td><td>InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23-/m1/s1</td><td>[H][C@@]1(C)CC2=CC3=C(OCO3)C(OC)=C2C2=C(OC)C(OC)=C(OC)C=C2C[C@@]1(C)O</td><td>-2.956458302161189</td><td>14.639555779238249</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002681">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2740"><td></td><td><a href="/entries/PHUB002682">Gomisin N</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002682</td><td>2740</td><td>400.188588622</td><td>C<sub>23</sub>H<sub>28</sub>O<sub>6</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Miscellaneous phytochemical metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002682/image.svg" src="" /></td><td>RTZKSTLPRTWFEV-OLZOCXBDSA-N</td><td></td><td>(9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(19),2,4,6,12,14(18)-hexaene</td><td>400.471</td><td>6.62e-03 g/l</td><td>4.37</td><td>-4.78</td><td>InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1</td><td>COC1=C(OC)C(OC)=C2C(C[C@@H](C)[C@@H](C)CC3=CC4=C(OCO4)C(OC)=C23)=C1</td><td>-4.196413763613773</td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002682">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2741"><td></td><td><a href="/entries/PHUB002683">Cyanidin-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002683</td><td>2741</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002683/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000483">Cyanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002683">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2742"><td></td><td><a href="/entries/PHUB002684">Cyanidin-3-glucoside-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002684</td><td>2742</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002684/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000483">Cyanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002684">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2743"><td></td><td><a href="/entries/PHUB002685">Methyl-cyanidin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002685</td><td>2743</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002685/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002685">Methyl-cyanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002685">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2744"><td></td><td><a href="/entries/PHUB002686">Methyl-cyanidin-3-glucoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002686</td><td>2744</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002686/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002686">Methyl-cyanidin-3-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002686">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2745"><td></td><td><a href="/entries/PHUB002687">Cyanidin-3-o-(2â²â²-o-xylosyl)rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002687</td><td>2745</td><td>757.21857014</td><td>C<sub>33</sub>H<sub>41</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002687/image.svg" src="" /></td><td>MSUVUDCULKNUJL-UHFFFAOYNA-O</td><td></td><td></td><td>757.67</td><td>4.16e+00 g/l</td><td>-0.05</td><td>-2.28</td><td>InChI=1/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1</td><td>CC1OC(OCC2OC(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002687">Cyanidin-3-o-(2â²â²-o-xylosyl)rutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002687">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2746"><td></td><td><a href="/entries/PHUB002688">Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002688</td><td>2746</td><td>935.245178814</td><td>C<sub>42</sub>H<sub>47</sub>O<sub>24</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002688/image.svg" src="" /></td><td>YZJPIJNLTTVHHD-GXKMNUNHSA-O</td><td></td><td></td><td>935.813</td><td>8.59e-01 g/l</td><td>1.21</td><td>-3.05</td><td>InChI=1S/C42H46O24/c43-12-26-30(51)33(54)36(57)40(63-26)61-24-10-17(45)9-23-18(24)11-25(38(60-23)16-3-5-20(47)22(49)8-16)62-42-39(35(56)31(52)27(13-44)64-42)66-41-37(58)34(55)32(53)28(65-41)14-59-29(50)6-2-15-1-4-19(46)21(48)7-15/h1-11,26-28,30-37,39-44,51-58H,12-14H2,(H4-,45,46,47,48,49,50)/p+1/t26-,27-,28-,30-,31-,32-,33+,34+,35+,36-,37-,39-,40-,41+,42-/m1/s1</td><td>OC[C@H]1O[C@@H](OC2=CC(O)=CC3=C2C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](COC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@@H](O)[C@H](O)[C@H]2O)C(=[O+]3)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002688">Cyanidin 3-(caffeoyl-sophoroside) 5-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002688">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2747"><td></td><td><a href="/entries/PHUB002689">Cyanidin-3-glucoside-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002689</td><td>2747</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002689/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000483">Cyanidin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002689">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2748"><td></td><td><a href="/entries/PHUB002690">Cyanidin 3-O-(6â³-O-α-rhamnopyranosyl-β-galactopyranoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002690</td><td>2748</td><td>595.165746718</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002690/image.svg" src="" /></td><td>USNPULRDBDVJAO-YSSHIYQNSA-O</td><td></td><td></td><td>595.529</td><td>9.72e-01 g/l</td><td>0.48</td><td>-2.81</td><td>InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m1/s1</td><td>[H][C@]1(C)O[C@]([H])(OC[C@]2([H])O[C@]([H])(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002690">Cyanidin 3-O-(6â³-O-α-rhamnopyranosyl-β-galactopyranoside)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002690">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2749"><td></td><td><a href="/entries/PHUB002691">Cyanidin-3-(2â²â²-xylose-6â²â²-feruloyl-glucose-galactoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002691</td><td>2749</td><td>919.250264194</td><td>C<sub>42</sub>H<sub>47</sub>O<sub>23</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002691/image.svg" src="" /></td><td>LTQBSQHGAPPKMB-RCSPAENHSA-O</td><td></td><td></td><td>919.814</td><td>3.48e-01 g/l</td><td>1.28</td><td>-3.44</td><td>InChI=1S/C42H46O23/c1-57-25-8-16(2-5-21(25)45)3-7-30(48)58-13-28-31(49)34(52)37(55)41(64-28)60-15-29-32(50)35(53)39(59-14-27-33(51)36(54)40(56)62-27)42(65-29)63-26-12-19-22(46)10-18(43)11-24(19)61-38(26)17-4-6-20(44)23(47)9-17/h2-12,27-29,31-37,39-42,49-56H,13-15H2,1H3,(H4-,43,44,45,46,47,48)/p+1/t27?,28-,29-,31-,32+,33+,34+,35+,36-,37-,39-,40-,41-,42-/m1/s1</td><td>[H][C@@]1(O)OC([H])(CO[C@@]2([H])[C@]([H])(OC3=C(OC4=CC(O)=CC(=O)C4=C3)C3=CC(O)=C(O)C=C3)O[C@]([H])(CO[C@]3([H])O[C@]([H])(C[O+]=C(O)C=CC4=CC(OC)=C(O)C=C4)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002691">Cyanidin-3-(2â²â²-xylose-6â²â²-feruloyl-glucose-galactoside)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002691">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2750"><td></td><td><a href="/entries/PHUB002692">Cyanidin-3-(2â²â²-xylose-6â²â²-sinapoyl-glucose-galactoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002692</td><td>2750</td><td>949.260828878</td><td>C<sub>43</sub>H<sub>49</sub>O<sub>24</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002692/image.svg" src="" /></td><td>ATUAHHCEJMJXSV-YMDQUJLASA-O</td><td></td><td></td><td>949.84</td><td>3.17e-01 g/l</td><td>1.31</td><td>-3.49</td><td>InChI=1S/C43H48O24/c1-58-24-7-16(8-25(59-2)31(24)49)3-6-30(48)60-13-28-32(50)35(53)38(56)42(66-28)62-15-29-33(51)36(54)40(61-14-27-34(52)37(55)41(57)64-27)43(67-29)65-26-12-19-21(46)10-18(44)11-23(19)63-39(26)17-4-5-20(45)22(47)9-17/h3-12,27-29,32-38,40-43,50-57H,13-15H2,1-2H3,(H4-,44,45,46,47,48,49)/p+1/b6-3-/t27?,28-,29-,32-,33+,34+,35+,36+,37-,38-,40-,41-,42-,43-/m1/s1</td><td>[H][C@@]1(O)OC([H])(CO[C@@]2([H])[C@]([H])(OC3=C(OC4=CC(O)=CC(=O)C4=C3)C3=CC(O)=C(O)C=C3)O[C@]([H])(CO[C@]3([H])O[C@]([H])(C\[O+]=C(/O)\C=C/C4=CC(OC)=C(O)C(OC)=C4)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002692">Cyanidin-3-(2â²â²-xylose-6â²â²-sinapoyl-glucose-galactoside)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002692">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2751"><td></td><td><a href="/entries/PHUB002693">Cyanidin-3-(2â²â²-xylose-6-glucose-galactoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002693</td><td>2751</td><td>743.202920076</td><td>C<sub>32</sub>H<sub>39</sub>O<sub>20</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002693/image.svg" src="" /></td><td>NAGIWHJSMHJSTH-RQGLMVIFNA-O</td><td></td><td></td><td>743.643</td><td>3.05e+00 g/l</td><td>-0.34</td><td>-2.41</td><td>InChI=1/C32H38O20/c33-7-18-21(38)24(41)27(44)31(51-18)47-9-20-22(39)25(42)29(46-8-19-23(40)26(43)30(45)49-19)32(52-20)50-17-6-12-14(36)4-11(34)5-16(12)48-28(17)10-1-2-13(35)15(37)3-10/h1-6,18-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1/t18-,19?,20-,21-,22+,23+,24+,25+,26-,27-,29-,30-,31-,32-/s2</td><td>OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@H
8](OCC3O[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002693">Cyanidin-3-(2â²â²-xylose-6-glucose-galactoside)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002693">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2752"><td></td><td><a href="/entries/PHUB002694">3'-Methoxycyanidin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002694</td><td>2752</td><td>301.070664559</td><td>C<sub>16</sub>H<sub>13</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002694/image.svg" src="" /></td><td>XFDQJKDGGOEYPI-UHFFFAOYSA-O</td><td></td><td>3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1lambda4-chromen-1-ylium</td><td>301.273</td><td>2.38e-02 g/l</td><td>2.61</td><td>-4.15</td><td>InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1</td><td>COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O</td><td>-4.90136353188422</td><td>6.0123365353908715</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002694">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2753"><td></td><td><a href="/entries/PHUB002695">4'-Methoxycyanidin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002695</td><td>2753</td><td>301.070664559</td><td>C<sub>16</sub>H<sub>13</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002695/image.svg" src="" /></td><td>WWYPDVCAOKXSSR-UHFFFAOYSA-O</td><td></td><td>3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1lambda4-chromen-1-ylium</td><td>301.273</td><td>2.49e-02 g/l</td><td>1.92</td><td>-4.13</td><td>InChI=1S/C16H12O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1</td><td>COC1=C(O)C=C(C=C1)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1</td><td>-4.911088088125941</td><td>6.012970950722837</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002695">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2754"><td></td><td><a href="/entries/PHUB002696">Peonidin 3-sophoroside 5-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002696</td><td>2754</td><td>787.229134825</td><td>C<sub>34</sub>H<sub>43</sub>O<sub>21</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002696/image.svg" src="" /></td><td>JRZVFIAPPQXNCE-HRTNZEMOSA-O</td><td></td><td></td><td>787.696</td><td>3.93e+00 g/l</td><td>-0.65</td><td>-2.32</td><td>InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)39)30-18(7-13-15(49-30)5-12(38)6-16(13)50-32-28(46)25(43)22(40)19(8-35)52-32)51-34-31(27(45)24(42)21(10-37)54-34)55-33-29(47)26(44)23(41)20(9-36)53-33/h2-7,19-29,31-37,40-47H,8-10H2,1H3,(H-,38,39)/p+1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1</td><td>[H][C@]1(CO)O[C@@]([H])(OC2=CC(O)=CC3=[O+]C(=C(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)C=C23)C2=CC(OC
8)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002696">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2755"><td></td><td><a href="/entries/PHUB002697">Methylcyanidin 3-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002697</td><td>2755</td><td>463.123487981</td><td>C<sub>22</sub>H<sub>23</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002697/image.svg" src="" /></td><td>ZZWPMFROUHHAKY-JCCRHKSSNA-O</td><td></td><td>5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium</td><td>463.414</td><td>4.18e-01 g/l</td><td>1.18</td><td>-3.08</td><td>InChI=1/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22?/s2</td><td>[H][C@]1(CO)OC(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(OC)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O</td><td>-2.9810923799280262</td><td>6.395525209261993</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002697">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2756"><td></td><td><a href="/entries/PHUB002698">Methylcyanidin 3-rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002698</td><td>2756</td><td>609.181396783</td><td>C<sub>28</sub>H<sub>33</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002698/image.svg" src="" /></td><td>ONQVTPMFYSRRLL-LUDZHGAYNA-O</td><td></td><td></td><td>609.556</td><td>7.21e-01 g/l</td><td>0.77</td><td>-2.95</td><td>InChI=1/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-15(31)6-12(29)7-16(13)41-26(18)11-3-4-14(30)17(5-11)38-2/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+/s2</td><td>[H][C@@]1(C)O[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(OC)=C3)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td>6.39552464605778</td><td></td><td><a href="/entries/PHUB002698">Methylcyanidin 3-rutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002698">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2757"><td></td><td><a href="/entries/PHUB002699">Methylcyanidin 3-xylosylrutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002699</td><td>2757</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002699/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002699">Methylcyanidin 3-xylosylrutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002699">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2758"><td></td><td><a href="/entries/PHUB002700">Methylcyanidin-3-galactoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002700</td><td>2758</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002700/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002700">Methylcyanidin-3-galactoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002700">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2759"><td></td><td><a href="/entries/PHUB002701">Cyanidin-3-(2â²â²-xylose-galactoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002701</td><td>2759</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002701/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002701">Cyanidin-3-(2â²â²-xylose-galactoside)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002701">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2760"><td></td><td><a href="/entries/PHUB002702">Cyanidin-3-O-(2â²â²-O-glucosyl)rutinoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002702</td><td>2760</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002702/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002702">Cyanidin-3-O-(2â²â²-O-glucosyl)rutinoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002702">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2761"><td></td><td><a href="/entries/PHUB002703">Methyl cyanidin-3-O-sophoroside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002703</td><td>2761</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002703/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002703">Methyl cyanidin-3-O-sophoroside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002703">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2762"><td></td><td><a href="/entries/PHUB002704">Petunidin 3-O-β-glucopyranoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002704</td><td>2762</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Anthocyanidins (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002704/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002704">Petunidin 3-O-β-glucopyranoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002704">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2763"><td></td><td><a href="/entries/PHUB002705">Perillic acid-8,9-diol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>8,9-dihydroxy-p-menth-1-enoyl-7-glucuronide</td><td>PHUB002705</td><td>2763</td><td>376.136946973</td><td>C<sub>16</sub>H<sub>24</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>8,9-dihydroxy-p-menth-1-en-7-oic acid glucuronide; 8,9-dihydroxy-p-menth-1-enoic-7-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002705/image.svg" src="" /></td><td>KEOMKUABFYZJJX-UHFFFAOYNA-N</td><td></td><td>6-[4-(1,2-dihydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>376.358</td><td>1.65e+01 g/l</td><td>-1.12</td><td>-1.36</td><td>InChI=1/C16H24O10/c1-16(24,6-17)8-4-2-7(3-5-8)14(23)26-15-11(20)9(18)10(19)12(25-15)13(21)22/h2,8-12,15,17-20,24H,3-6H2,1H3,(H,21,22)</td><td>CC(O)(CO)C1CCC(=CC1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O</td><td>-3.0717695803393994</td><td>3.399599857282488</td><td></td><td><a href="/entries/PHUB000051">Limonene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002705">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2764"><td></td><td><a href="/entries/PHUB002706">Pinocarveol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002706</td><td>2764</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>10-Pinen-3-ol</td><td class="structure"><img data-src="/structures/PHUB002706/image.svg" src="" /></td><td>LCYXQUJDODZYIJ-UHFFFAOYNA-N</td><td>5947-36-4</td><td>6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol</td><td>152.237</td><td>1.76e+00 g/l</td><td>2.24</td><td>-1.94</td><td>InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3</td><td>CC1(C)C2CC1C(=C)C(O)C2</td><td>-1.5139735302532713</td><td>17.937417626307106</td><td><a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002706">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2765"><td></td><td><a href="/entries/PHUB002707">Pinocarvone</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002707</td><td>2765</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002707/image.svg" src="" /></td><td>TZDMGBLPGZXHJI-UHFFFAOYNA-N</td><td>30460-92-5</td><td>6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one</td><td>150.221</td><td>6.16e-01 g/l</td><td>2.28</td><td>-2.39</td><td>InChI=1/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3</td><td>CC1(C)C2CC1C(=C)C(=O)C2</td><td>-4.991396238530265</td><td></td><td><a href="/food_sources/258">
8Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002707">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2766"><td></td><td><a href="/entries/PHUB002708">Anthenobilic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2,3-dihydroxy-trans-cinnamic acid</td><td>PHUB002708</td><td>2766</td><td>180.042258738</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002708/image.svg" src="" /></td><td>SIUKXCMDYPYCLH-SNAWJCMRSA-N</td><td>31082-90-3</td><td>(2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid</td><td>180.159</td><td>1.66e+00 g/l</td><td>1.66</td><td>-2.04</td><td>InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/b5-4+</td><td>OC(=O)\C=C\C1=C(O)C(O)=CC=C1</td><td>-6.301002878847683</td><td>3.482416775205874</td><td><a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002708">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2767"><td></td><td><a href="/entries/PHUB002709">Ferulic acid-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4â-methoxycinnamic acid-3â-glucuronide</td><td>PHUB002709</td><td>2767</td><td>370.08999678</td><td>C<sub>16</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td>Ferulic acid-3-glucuronide; Ferulic acid-3'-glucuronide</td><td class="structure"><img data-src="/structures/PHUB002709/image.svg" src="" /></td><td>SHJZLGVIOYFHCB-CZAMIVPPNA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>370.31</td><td>4.18e+00 g/l</td><td>-0.23</td><td>-1.95</td><td>InChI=1/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/s2</td><td>[H]\C(=C(\[H])C1=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C(OC)C=C1)C(O)=O</td><td>-3.686827977923865</td><td>2.963519929853911</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002709">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2768"><td></td><td><a href="/entries/PHUB002710">Cassiastearoptene</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>2-Methoxycinnamaldehyde</td><td>PHUB002710</td><td>2768</td><td>162.068079562</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>o-Methoxycinnamaldehyde</td><td class="structure"><img data-src="/structures/PHUB002710/image.svg" src="" /></td><td>KKVZAVRSVHUSPL-GQCTYLIASA-N</td><td>60125-24-8, 1504-74-1</td><td>(2E)-3-(2-methoxyphenyl)prop-2-enal</td><td>162.188</td><td>3.11e-01 g/l</td><td>2.05</td><td>-2.72</td><td>InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+</td><td>COC1=CC=CC=C1\C=C\C=O</td><td>-4.496182148588888</td><td></td><td><a href="/food_sources/258">Roman camomile</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002710">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2769"><td></td><td><a href="/entries/PHUB002711">trans-Cinnamyl alcohol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002711</td><td>2769</td><td>134.073164942</td><td>C<sub>9</sub>H<sub>10</sub>O</td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(E)-cinnamyl alcohol</td><td class="structure"><img data-src="/structures/PHUB002711/image.svg" src="" /></td><td>OOCCDEMITAIZTP-QPJJXVBHSA-N</td><td>4407-36-7</td><td>(2E)-3-phenylprop-2-en-1-ol</td><td>134.178</td><td>2.34e+00 g/l</td><td>1.93</td><td>-1.76</td><td>InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+</td><td>OC\C=C\C1=CC=CC=C1</td><td>-2.526312659594935</td><td>15.62297059992013</td><td><a href="/food_sources/36">Cinnamon</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002711">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2770"><td></td><td><a href="/entries/PHUB002712">Ferulic acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002712</td><td>2770</td><td>274.014723836</td><td>C<sub>10</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002712/image.svg" src="" /></td><td>DCMKMHVTKFJMAU-HWKANZROSA-N</td><td></td><td>(2E)-3-[4-methoxy-3-(sulfooxy)phenyl]prop-2-enoic acid</td><td>274.24</td><td>4.19e-01 g/l</td><td>-0.33</td><td>-2.82</td><td>InChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+</td><td>COC1=C(OS(O)(=O)=O)C=C(\C=C\C(O)=O)C=C1</td><td>-4.91614539135131</td><td>-2.199789619611262</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002712">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2771"><td></td><td><a href="/entries/PHUB002713">Rosmarinic acid-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Rosmarinic acid-3-glucuronide</td><td>PHUB002713</td><td>2771</td><td>536.116605453</td><td>C<sub>24</sub>H<sub>24</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002713/image.svg" src="" /></td><td>FYIJRGOUQNZYMT-IYRYNMHPSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{5-[(1E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>536.442</td><td>5.56e-01 g/l</td><td>1.95</td><td>-2.98</td><td>InChI=1S/C24H24O14/c25-12-4-2-11(7-14(12)27)9-16(22(32)33)36-17(28)6-3-10-1-5-13(26)15(8-10)37-24-20(31)18(29)19(30)21(38-24)23(34)35/h1-8,16,18-21,24-27,29-31H,9H2,(H,32,33)(H,34,35)/b6-3+/t16-,18-,19-,20+,21-,24+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC(\C=C\C(=O)O[C@@H](CC3=CC(O)=C(O)C=C3)C(O)=O)=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.7319986699708827</td><td>2.821778609827067</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002713">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2772"><td></td><td><a href="/entries/PHUB002714">Rosmarinic acid-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Rosmarinic acid-4'-glucuronide</td><td>PHUB002714</td><td>2772</td><td>536.116605453</td><td>C<sub>24</sub>H<sub>24</sub>O<sub>14</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002714/image.svg" src="" /></td><td>CYQSQUFANHHPDG-YLJHFLKJSA-N</td><td></td><td>(6S)-6-{5-[(2S)-2-carboxy-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>536.442</td><td>5.90e-01 g/l</td><td>1.88</td><td>-2.96</td><td>InChI=1S/C24H24O14/c25-12-4-1-10(7-14(12)27)3-6-17(28)36-16(22(32)33)9-11-2-5-13(26)15(8-11)37-24-20(31)18(29)19(30)21(38-24)23(34)35/h1-8,16,18-21,24-27,29-31H,9H2,(H,32,33)(H,34,35)/b6-3+/t16-,18?,19?,20?,21?,24+/m0/s1</td><td>OC1C(O)[C@H](OC2=C(O)C=CC(C[C@H](OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)=O)=C2)OC(C1O)C(O)=O</td><td>-3.7319986699631564</td><td>2.7809777676334777</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002714">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2773"><td></td><td><a href="/entries/PHUB002715">Rosmarinic acid-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Rosmarinic acid-3'-glucuronide</td><td>PHUB002715</td><td>2773</td><td>536.116605453</td><td>C<sub>24</sub>H<sub>24</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002715/image.svg" src="" /></td><td>MDPBOLJGKVBHNB-YLJHFLKJSA-N</td><td></td><td>(6S)-6-{4-[(2S)-2-carboxy-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>536.442</td><td>5.54e-01 g/l</td><td>1.94</td><td>-2.99</td><td>InChI=1S/C24H24O14/c25-12-4-1-10(7-13(12)26)3-6-17(28)36-16(22(32)33)9-11-2-5-15(14(27)8-11)37-24-20(31)18(29)19(30)21(38-24)23(34)35/h1-8,16,18-21,24-27,29-31H,9H2,(H,32,33)(H,34,35)/b6-3+/t16-,18?,19?,20?,21?,24+/m0/s1</td><td>OC1C(O)[C@H](OC2=C(O)C=C(C[C@H](OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)=O)C=C2)OC(C1O)C(O)=O</td><td>-3.7319986699562695</td><td>2.7505740606748135</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002715">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2774"><td></td><td><a href="/entries/PHUB002716">3'-Methoxyrosmarinic acid-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxyrosmarinic acid-3-glucuronide</td><td>PHUB002716</td><td>2774</td><td>550.132255517</td><td>C<sub>25</sub>H<sub>26</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002716/image.svg" src="" /></td><td>GKIYGPOTIRNIHI-UKWNDTRWSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{5-[(1E)-3-[(1S)-1-carboxy-2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>550.469</td><td>3.22e-01 g/l</td><td>1.87</td><td>-3.23</td><td>InChI=1S/C25H26O14/c1-36-15-6-3-12(8-14(15)27)10-17(23(32)33)37-18(28)7-4-11-2-5-13(26)16(9-11)38-25-21(31)19(29)20(30)22(39-25)24(34)35/h2-9,17,19-22,25-27,29-31H,10H2,1H3,(H,32,33)(H,34,35)/b7-4+/t17-,19-,20-,21+,22-,25+/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C=C2)C(O)=O)C=C1</td><td>-3.6868279771414696</td><td>2.8557329886279144</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002716">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2775"><td></td><td><a href="/entries/PHUB002717">3-Methoxyrosmarinic acid-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methoxyrosmarinic acid-3'-glucuronide</td><td>PHUB002717</td><td>2775</td><td>550.132255517</td><td>C<sub>25</sub>H<sub>26</sub>O<sub>14</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002717/image.svg" src="" /></td><td>AQFHWWSEXIFPCF-SZFBBADZSA-N</td><td></td><td>(6S)-6-{4-[(2S)-2-carboxy-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>550.469</td><td>3.14e-01 g/l</td><td>1.83</td><td>-3.24</td><td>InChI=1S/C25H26O14/c1-36-16-9-11(2-5-13(16)26)4-7-18(28)37-17(23(32)33)10-12-3-6-15(14(27)8-12)38-25-21(31)19(29)20(30)22(39-25)24(34)35/h2-9,17,19-22,25-27,29-31H,10H2,1H3,(H,32,33)(H,34,35)/b7-4+/t17-,19?,20?,21?,22?,25+/m0/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(O)=C(O[C@@H]3OC(C(O)C(O)C3O)C(O)=O)C=C2)C(O)=O)=C1</td><td>-3.686827975275016</td><td>2.747965364705231</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002717">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2777"><td></td><td><a href="/entries/PHUB002719">Rosmarinic acid-4-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Rosmarinic acid-4-glucuronide</td><td>PHUB002719</td><td>2777</td><td>536.116605453</td><td>C<sub>24</sub>H<sub>24</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002719/image.svg" src="" /></td><td>HPDJIRRRFHPVHR-IYRYNMHPSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{4-[(1E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>536.442</td><td>4.88e-01 g/l</td><td>2.01</td><td>-3.04</td><td>InChI=1S/C24H24O14/c25-12-4-1-11(8-13(12)26)9-16(22(32)33)36-17(28)6-3-10-2-5-15(14(27)7-10)37-24-20(31)18(29)19(30)21(38-24)23(34)35/h1-8,16,18-21,24-27,29-31H,9H2,(H,32,33)(H,34,35)/b6-3+/t16-,18-,19-,20+,21-,24+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=C(\C=C\C(=O)O[C@@H](CC3=CC(O)=C(O)C=C3)C(O)=O)C=C2)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.731998669956291</td><td>2.7865916315444847</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002719">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2780"><td></td><td><a href="/entries/PHUB002722">4'-Methoxyrosmarinic acid-4-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxyrosmarinic acid-4-glucuronide</td><td>PHUB002722</td><td>2780</td><td>550.132255517</td><td>C<sub>25</sub>H<sub>26</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002722/image.svg" src="" /></td><td>QXHUHHGKRITJNV-UKWNDTRWSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{4-[(1E)-3-[(1S)-1-carboxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>550.469</td><td>3.02e-01 g/l</td><td>1.92</td><td>-3.26</td><td>InChI=1S/C25H26O14/c1-36-16-9-12(2-5-13(16)26)10-17(23(32)33)37-18(28)7-4-11-3-6-15(14(27)8-11)38-25-21(31)19(29)20(30)22(39-25)24(34)35/h2-9,17,19-22,25-27,29-31H,10H2,1H3,(H,32,33)(H,34,35)/b7-4+/t17-,19-,20-,21+,22-,25+/m0/s1</td><td>COC1=C(O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(O)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(O)=O)=C1</td><td>-3.686827975281513</td><td>2.8177719381343223</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002722">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2781"><td></td><td><a href="/entries/PHUB002723">3'-Methoxyrosmarinic acid-4-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxyrosmarinic acid-4-glucuronide </td><td>PHUB002723</td><td>2781</td><td>550.132255517</td><td>C<sub>25</sub>H<sub>26</sub>O<sub>14</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002723/image.svg" src="" /></td><td>VPQLDWHANFUEGK-UKWNDTRWSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{4-[(1E)-3-[(1S)-1-carboxy-2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>550.469</td><td>3.05e-01 g/l</td><td>1.92</td><td>-3.26</td><td>InChI=1S/C25H26O14/c1-36-15-5-3-12(9-13(15)26)10-17(23(32)33)37-18(28)7-4-11-2-6-16(14(27)8-11)38-25-21(31)19(29)20(30)22(39-25)24(34)35/h2-9,17,19-22,25-27,29-31H,10H2,1H3,(H,32,33)(H,34,35)/b7-4+/t17-,19-,20-,21+,22-,25+/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(O)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(O)=O)C=C1</td><td>-3.686827975281513</td><td>2.8177712380950775</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002723">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2782"><td></td><td><a href="/entries/PHUB002724">4'-Methoxyrosmarinic acid-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxyrosmarinic acid-3-glucuronide</td><td>PHUB002724</td><td>2782</td><td>550.132255517</td><td>C<sub>25</sub>H<sub>26</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002724/image.svg" src="" /></td><td>CIIXCNAZFFMPGR-UKWNDTRWSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{5-[(1E)-3-[(1S)-1-carboxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>550.469</td><td>3.18e-01 g/l</td><td>1.87</td><td>-3.24</td><td>InChI=1S/C25H26O14/c1-36-15-9-12(3-6-13(15)26)10-17(23(32)33)37-18(28)7-4-11-2-5-14(27)16(8-11)38-25-21(31)19(29)20(30)22(39-25)24(34)35/h2-9,17,19-22,25-27,29-31H,10H2,1H3,(H,32,33)(H,34,35)/b7-4+/t17-,19-,20-,21+,22-,25+/m0/s1</td><td>COC1=C(O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C=C2)C(O)=O)=C1</td><td>-3.6868279771414696</td><td>2.8557337532361493</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002724">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2783"><td></td><td><a href="/entries/PHUB002725">4-Methoxyrosmarinic acid-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Methoxyrosmarinic acid-3-glucuronide </td><td>PHUB002725</td><td>2783</td><td>550.132255517</td><td>C<sub>25</sub>H<sub>26</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002725/image.svg" src="" /></td><td>JBSOYSXERRIQDD-UKWNDTRWSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{5-[(1E)-3-[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>550.469</td><td>3.15e-01 g/l</td><td>1.84</td><td>-3.24</td><td>InChI=1S/C25H26O14/c1-36-15-6-3-11(9-16(15)38-25-21(31)19(29)20(30)22(39-25)24(34)35)4-7-18(28)37-17(23(32)33)10-12-2-5-13(26)14(27)8-12/h2-9,17,19-22,25-27,29-31H,10H2,1H3,(H,32,33)(H,34,35)/b7-4+/t17-,19-,20-,21+,22-,25+/m0/s1</td><td>COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(O)=C(O)C=C2)C(O)=O)C=C1</td><td>-3.686827977923865</td><td>2.85397795985441</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002725">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2784"><td></td><td><a href="/entries/PHUB002726">4'-Methoxyrosmarinic acid-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxyrosmarinic acid-3'-glucuronide</td><td>PHUB002726</td><td>2784</td><td>550.132255517</td><td>C<sub>25</sub>H<sub>26</sub>O<sub>14</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002726/image.svg" src="" /></td><td>ZGJAHABGVFVIBD-SUURLBJMSA-N</td><td></td><td>6-{4-[(2S)-2-carboxy-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>550.469</td><td>3.12e-01 g/l</td><td>1.83</td><td>-3.25</td><td>InChI=1S/C25H26O14/c1-36-16-9-12(3-6-15(16)38-25-21(31)19(29)20(30)22(39-25)24(34)35)10-17(23(32)33)37-18(28)7-4-11-2-5-13(26)14(27)8-11/h2-9,17,19-22,25-27,29-31H,10H2,1H3,(H,32,33)(H,34,35)/b7-4+/t17-,19?,20?,21?,22?,25?/m0/s1</td><td>COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O)=C1</td><td>-3.6868279760573377</td><td>2.8233086549158175</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002726">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2785"><td></td><td><a href="/entries/PHUB002727">3-Methoxyrosmarinic acid-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methoxyrosmarinic acid-4'-glucuronide </td><td>PHUB002727</td><td>2785</td><td>550.132255517</td><td>C<sub>25</sub>H<sub>26</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002727/image.svg" src="" /></td><td>SAGPTBOGDLJRQW-UKWNDTRWSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{5-[(2S)-2-carboxy-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>550.469</td><td>3.41e-01 g/l</td><td>1.77</td><td>-3.21</td><td>InChI=1S/C25H26O14/c1-36-15-8-11(2-5-13(15)26)4-7-18(28)37-17(23(32)33)10-12-3-6-14(27)16(9-12)38-25-21(31)19(29)20(30)22(39-25)24(34)35/h2-9,17,19-22,25-27,29-31H,10H2,1H3,(H,32,33)(H,34,35)/b7-4+/t17-,19-,20-,21+,22-,25+/m0/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(O)C=C2)C(O)=O)=C1</td><td>-3.6868279761517733</td><td>2.778352838937832</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002727">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2786"><td></td><td><a href="/entries/PHUB002728">3,4'-Dimethoxyrosmarinic acid-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4'-Dimethoxyrosmarinic acid-3'-glucuronide</td><td>PHUB002728</td><td>2786</td><td>564.147905582</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002728/image.svg" src="" /></td><td>PIYVXHFCXVCCBP-WFTSJXPJSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{4-[(2S)-2-carboxy-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>564.496</td><td>2.59e-01 g/l</td><td>1.60</td><td>-3.34</td><td>InChI=1S/C26H28O14/c1-36-16-9-12(3-6-14(16)27)5-8-19(28)38-18(24(32)33)11-13-4-7-15(17(10-13)37-2)39-26-22(31)20(29)21(30)23(40-26)25(34)35/h3-10,18,20-23,26-27,29-31H,11H2,1-2H3,(H,32,33)(H,34,35)/b8-5+/t18-,20-,21-,22+,23-,26+/m0/s1</td><td>
8COC1=C(O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(OC)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(O)=O)=C1</td><td>-3.6868279760573377</td><td>2.820724942638299</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002728">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2787"><td></td><td><a href="/entries/PHUB002729">Cinnzeylanine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002729</td><td>2787</td><td>426.225368055</td><td>C<sub>22</sub>H<sub>34</sub>O<sub>8</sub></td><td>Terpenoids</td><td>Diterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002729/image.svg" src="" /></td><td>DFYFOAFKHRTQLA-UHFFFAOYNA-N</td><td>62203-47-8</td><td></td><td>426.506</td><td>1.36e+01 g/l</td><td>0.21</td><td>-1.50</td><td>InChI=1/C22H34O8/c1-11(2)17(24)10-19(26)15(5)9-20(27)16(17,6)22(19,28)21(30-20)14(29-13(4)23)12(3)7-8-18(15,21)25/h11-12,14,24-28H,7-10H2,1-6H3</td><td>CC(C)C1(O)CC2(O)C3(C)CC4(O)OC5(C(OC(C)=O)C(C)CCC35O)C2(O)C14C</td><td>-3.302292980008715</td><td>11.320110998745221</td><td><a href="/food_sources/36">Cinnamon</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002729">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2788"><td></td><td><a href="/entries/PHUB002730">Cinnamyl acetate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002730</td><td>2788</td><td>176.083729626</td><td>C<sub>11</sub>H<sub>12</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002730/image.svg" src="" /></td><td>WJSDHUCWMSHDCR-UHFFFAOYSA-N</td><td>21040-45-9, 103-54-8</td><td>3-phenylprop-2-en-1-yl acetate</td><td>176.215</td><td>1.40e-01 g/l</td><td>2.92</td><td>-3.10</td><td>InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3</td><td>CC(=O)OCC=CC1=CC=CC=C1</td><td>-7.004438223439601</td><td></td><td><a href="/food_sources/36">Cinnamon</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002730">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2789"><td></td><td><a href="/entries/PHUB002731">3',4-Dimethoxyrosmarinic acid-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3',4-Dimethoxyrosmarinic acid-4'-glucuronide</td><td>PHUB002731</td><td>2789</td><td>564.147905582</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002731/image.svg" src="" /></td><td>ZSJJSZJVEBNLNX-WFTSJXPJSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{5-[(2S)-2-carboxy-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}ethyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>564.496</td><td>2.57e-01 g/l</td><td>1.59</td><td>-3.34</td><td>InChI=1S/C26H28O14/c1-36-15-6-3-12(9-14(15)27)5-8-19(28)38-18(24(32)33)11-13-4-7-16(37-2)17(10-13)39-26-22(31)20(29)21(30)23(40-26)25(34)35/h3-10,18,20-23,26-27,29-31H,11H2,1-2H3,(H,32,33)(H,34,35)/b8-5+/t18-,20-,21-,22+,23-,26+/m0/s1</td><td>COC1=C(O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(OC)C=C2)C(O)=O)C=C1</td><td>-3.6868279769341314</td><td>2.8437043640670385</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002731">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2790"><td></td><td><a href="/entries/PHUB002732">3,3'-Dimethoxy rosmarinic acid-4'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,3'-Dimethoxy rosmarinic acid-4'-glucuronide</td><td>PHUB002732</td><td>2790</td><td>564.147905582</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002732/image.svg" src="" /></td><td>UEFUBYYKTPCRID-WFTSJXPJSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{5-[(2S)-2-carboxy-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>564.496</td><td>2.65e-01 g/l</td><td>1.58</td><td>-3.33</td><td>InChI=1S/C26H28O14/c1-36-15-7-4-13(10-17(15)39-26-22(31)20(29)21(30)23(40-26)25(34)35)11-18(24(32)33)38-19(28)8-5-12-3-6-14(27)16(9-12)37-2/h3-10,18,20-23,26-27,29-31H,11H2,1-2H3,(H,32,33)(H,34,35)/b8-5+/t18-,20-,21-,22+,23-,26+/m0/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(OC)C=C2)C(O)=O)=C1</td><td>-3.6868279769341314</td><td>2.843674922444209</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002732">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2791"><td></td><td><a href="/entries/PHUB002733">4,4'-Dimethoxyrosmarinic acid-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4,4'-Dimethoxyrosmarinic acid-3'-glucuronide</td><td>PHUB002733</td><td>2791</td><td>564.147905582</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002733/image.svg" src="" /></td><td>MSWNCSUFRRCKKO-WFTSJXPJSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{4-[(2S)-2-carboxy-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}ethyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>564.496</td><td>2.59e-01 g/l</td><td>1.59</td><td>-3.34</td><td>InChI=1S/C26H28O14/c1-36-15-6-3-12(9-14(15)27)5-8-19(28)38-18(24(32)33)11-13-4-7-16(17(10-13)37-2)39-26-22(31)20(29)21(30)23(40-26)25(34)35/h3-10,18,20-23,26-27,29-31H,11H2,1-2H3,(H,32,33)(H,34,35)/b8-5+/t18-,20-,21-,22+,23-,26+/m0/s1</td><td>COC1=C(O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(OC)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(O)=O)C=C1</td><td>-3.6868279760573377</td><td>2.8207542471022387</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002733">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2792"><td></td><td><a href="/entries/PHUB002734">3',4-Dimethoxyrosmarinic acid-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3',4-Dimethoxyrosmarinic acid-3-glucuronide</td><td>PHUB002734</td><td>2792</td><td>564.147905582</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002734/image.svg" src="" /></td><td>VDBIVKCIKJLXPO-WFTSJXPJSA-N</td><td></td><td>(2S,3S,4S,5R,6S)-6-{5-[(1E)-3-[(1S)-1-carboxy-2-(3-hydroxy-4-methoxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>564.496</td><td>2.45e-01 g/l</td><td>1.56</td><td>-3.36</td><td>InChI=1S/C26H28O14/c1-36-15-6-4-13(9-14(15)27)11-18(24(32)33)38-19(28)8-5-12-3-7-16(37-2)17(10-12)39-26-22(31)20(29)21(30)23(40-26)25(34)35/h3-10,18,20-23,26-27,29-31H,11H2,1-2H3,(H,32,33)(H,34,35)/b8-5+/t18-,20-,21-,22+,23-,26+/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(OC)C=C2)C(O)=O)C=C1</td><td>-3.686827977923865</td><td>2.891265873853776</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002734">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2793"><td></td><td><a href="/entries/PHUB002735">3,4'-Dimethoxyrosmarinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4'-Dimethoxy rosmarinic acid </td><td>PHUB002735</td><td>
82793</td><td>388.115817604</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002735/image.svg" src="" /></td><td>DSXOFGURDWYPDP-MOTZXUDYSA-N</td><td></td><td>(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propanoic acid</td><td>388.372</td><td>2.89e-02 g/l</td><td>3.02</td><td>-4.13</td><td>InChI=1S/C20H20O8/c1-26-16-9-12(3-6-14(16)21)5-8-19(23)28-18(20(24)25)11-13-4-7-15(22)17(10-13)27-2/h3-10,18,21-22H,11H2,1-2H3,(H,24,25)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C(O)=O)=C1</td><td>-4.589606171606146</td><td>3.194096885345104</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002735">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2794"><td></td><td><a href="/entries/PHUB002736">3,3'-Dimethoxyrosmarinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,3'-Dimethoxyrosmarinic acid</td><td>PHUB002736</td><td>2794</td><td>388.115817604</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002736/image.svg" src="" /></td><td>GKOMKHRFZBIFKK-MOTZXUDYSA-N</td><td></td><td>(2S)-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-3-(3-hydroxy-4-methoxyphenyl)propanoic acid</td><td>388.372</td><td>2.95e-02 g/l</td><td>3.04</td><td>-4.12</td><td>InChI=1S/C20H20O8/c1-26-16-7-4-13(9-15(16)22)11-18(20(24)25)28-19(23)8-5-12-3-6-14(21)17(10-12)27-2/h3-10,18,21-22H,11H2,1-2H3,(H,24,25)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C(O)=O)C=C1</td><td>-4.5889389612201255</td><td>3.194095262595402</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002736">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2795"><td></td><td><a href="/entries/PHUB002737">4,4'-Dimethoxyrosmarinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4,4'-Dimethoxyrosmarinic acid</td><td>PHUB002737</td><td>2795</td><td>388.115817604</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002737/image.svg" src="" /></td><td>CNZAGOLQZOPCTJ-MOTZXUDYSA-N</td><td></td><td>(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}propanoic acid</td><td>388.372</td><td>2.97e-02 g/l</td><td>3.03</td><td>-4.12</td><td>InChI=1S/C20H20O8/c1-26-16-7-4-12(9-15(16)22)5-8-19(23)28-18(20(24)25)11-13-3-6-14(21)17(10-13)27-2/h3-10,18,21-22H,11H2,1-2H3,(H,24,25)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(OC)=C(O)C=C2)C(O)=O)C=C1</td><td>-4.58752815890205</td><td>3.194160300764379</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002737">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2796"><td></td><td><a href="/entries/PHUB002738">3-Methoxyrosmarinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002738</td><td>2796</td><td>374.10016754</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002738/image.svg" src="" /></td><td>OEJOTRCRBCKZAL-PFWMLDTASA-N</td><td></td><td>(2S)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propanoic acid</td><td>374.345</td><td>1.84e-02 g/l</td><td>2.93</td><td>-4.31</td><td>InChI=1S/C19H18O8/c1-26-16-9-11(2-6-14(16)21)4-7-18(23)27-17(19(24)25)10-12-3-5-13(20)15(22)8-12/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(O)=C(O)C=C2)C(O)=O)=C1</td><td>-4.889055147591282</td><td>3.1254914209323803</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002738">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2797"><td></td><td><a href="/entries/PHUB002739">4-Methoxyrosmarinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Methoxyrosmarinic acid </td><td>PHUB002739</td><td>2797</td><td>374.10016754</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002739/image.svg" src="" /></td><td>JQXGDEIJPJRLRQ-PFWMLDTASA-N</td><td></td><td>(2S)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}propanoic acid</td><td>374.345</td><td>1.89e-02 g/l</td><td>2.95</td><td>-4.30</td><td>InChI=1S/C19H18O8/c1-26-16-6-3-11(8-15(16)22)4-7-18(23)27-17(19(24)25)10-12-2-5-13(20)14(21)9-12/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(O)=C(O)C=C2)C(O)=O)C=C1</td><td>-4.884924011853442</td><td>3.1255570433793</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002739">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2798"><td></td><td><a href="/entries/PHUB002740">3'-Methoxyrosmarinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxyrosmarinic acid </td><td>PHUB002740</td><td>2798</td><td>374.10016754</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002740/image.svg" src="" /></td><td>GJNOIPOLHHJQQW-PFWMLDTASA-N</td><td></td><td>(2S)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-(3-hydroxy-4-methoxyphenyl)propanoic acid</td><td>374.345</td><td>1.87e-02 g/l</td><td>2.94</td><td>-4.30</td><td>InChI=1S/C19H18O8/c1-26-16-6-3-12(9-15(16)22)10-17(19(24)25)27-18(23)7-4-11-2-5-13(20)14(21)8-11/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O)C=C1</td><td>-4.886012523225265</td><td>3.1997019027916327</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002740">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2799"><td></td><td><a href="/entries/PHUB002741">4'-Methoxyrosmarinic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxyrosmarinic acid</td><td>PHUB002741</td><td>2799</td><td>374.10016754</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>8</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002741/image.svg" src="" /></td><td>NFSDQICEPLDULQ-PFWMLDTASA-N</td><td></td><td>(2S)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-(4-hydroxy-3-methoxyphenyl)propanoic acid</td><td>374.345</td><td>1.78e-02 g/l</td><td>2.94</td><td>-4.32</td><td>InChI=1S/C19H18O8/c1-26-16-9-12(3-6-14(16)21)10-17(19(24)25)27-18(23)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-22H,10H2,1H3,(H,24,25)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O)=C1</td><td>-4.88733584144007</td><td>3.199703526863718</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002741">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2800"><td></td><td><a href="/entries/PHUB002742">4,4'-Dimethoxyrosmarinic acid-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4,4'-Dimethoxyrosmarinic acid-3-glucuronide</td><td>PHUB002742</td><td>2800</td><td>564.147905582</td><td>C<sub>26</sub>H<sub>28</sub>O<sub>14</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002742/image.svg" src="" /></td><td>AJGFVPRLNAGALB-WFTSJXPJSA-N</td><td></td><td></td><td>564.496</td><td>2.52e-01 g/l</td><td>1.55</td><td>-3.35</td><td>InChI=1S/C26H28O14/c1-36-15-7-4-12(9-17(15)39-26-22(31)20(29)21(30)23(40-26)25(34)35)5-8-19(28)38-18(24(32)33)11-13-3-6-14(27)16(10-13)37-2/h3-10,18,20-23,26-27,29-31H,11H2,1-2H3,(H,32,33)(H,34,35)/b8-5+/t18-,20-,21-,22+,23-,26+/m0/s1</td><td>COC1=C(O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(OC)C=C2)C(O)=O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002742">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2801"><td></td><td><a href="/entries/PHUB002743">3,3'-Dimethoxyrosmarinic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,3'-Dimethoxyrosmarinic acid-4'-sulfate</td><td>PHUB002743</td><td>2801</td><td>468.072632638</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002743/image.svg" src="" /></td><td>WAWNWUBURNQKAE-MOTZXUDYSA-N</td><td></td><td>(2S)-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid</td><td>468.43</td><td>5.60e-02 g/l</td><td>0.75</td><td>-3.92</td><td>InChI=1S/C20H20O11S/c1-28-15-7-4-13(10-17(15)31-32(25,26)27)11-18(20(23)24)30-19(22)8-5-12-3-6-14(21)16(9-12)29-2/h3-10,18,21H,11H2,1-2H3,(H,23,24)(H,25,26,27)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(OS(O)(=O)=O)=C(OC)C=C2)C(O)=O)=C1</td><td>-4.602794922630727</td><td>-2.2063671230815114</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002743">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2802"><td></td><td><a href="/entries/PHUB002744">3,3'-Dimethoxyrosmarinic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,3'-Dimethoxyrosmarinic acid-4-sulfate</td><td>PHUB002744</td><td>2802</td><td>468.072632638</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>11</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002744/image.svg" src="" /></td><td>POBKEEUKHSYXGY-MOTZXUDYSA-N</td><td></td><td>(2S)-3-(3-hydroxy-4-methoxyphenyl)-2-{[(2E)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoyl]oxy}propanoic acid</td><td>468.43</td><td>4.93e-02 g/l</td><td>0.81</td><td>-3.98</td><td>InChI=1S/C20H20O11S/c1-28-15-6-4-13(9-14(15)21)11-18(20(23)24)30-19(22)8-5-12-3-7-16(17(10-12)29-2)31-32(25,26)27/h3-10,18,21H,11H2,1-2H3,(H,23,24)(H,25,26,27)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(OC)=C(OS(O)(=O)=O)C=C2)C(O)=O)C=C1</td><td>-4.602867157036042</td><td>-2.2460772036587535</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002744">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2803"><td></td><td><a href="/entries/PHUB002745">4,3'-Dimethoxurosmarinic acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4,3'-Dimethoxurosmarinic acid-3'-sulfate</td><td>PHUB002745</td><td>2803</td><td>468.072632638</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002745/image.svg" src="" /></td><td>PSZVXEXUGZBJOW-MOTZXUDYSA-N</td><td></td><td>(2S)-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid</td><td>468.43</td><td>5.27e-02 g/l</td><td>0.79</td><td>-3.95</td><td>InChI=1S/C20H20O11S/c1-28-15-6-3-12(9-14(15)21)5-8-19(22)30-18(20(23)24)11-13-4-7-16(17(10-13)29-2)31-32(25,26)27/h3-10,18,21H,11H2,1-2H3,(H,23,24)(H,25,26,27)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(OC)=C(OS(O)(=O)=O)C=C2)C(O)=O)C=C1</td><td>-4.601423570216491</td><td>-2.232765984286233</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002745">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2804"><td></td><td><a href="/entries/PHUB002746">4,4'-Dimethoxyrosmarinic acid-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4,4'-Dimethoxyrosmarinic acid-3-sulfate</td><td>PHUB002746</td><td>2804</td><td>468.072632638</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002746/image.svg" src="" /></td><td>SUOSUNQIYJLSGW-MOTZXUDYSA-N</td><td></td><td>(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-{[(2E)-3-[4-methoxy-3-(sulfooxy)phenyl]prop-2-enoyl]oxy}propanoic acid</td><td>468.43</td><td>5.26e-02 g/l</td><td>0.77</td><td>-3.95</td><td>InChI=1S/C20H20O11S/c1-28-15-7-4-12(9-17(15)31-32(25,26)27)5-8-19(22)30-18(20(23)24)11-13-3-6-14(21)16(10-13)29-2/h3-10,18,21H,11H2,1-2H3,(H,23,24)(H,25,26,27)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(OS(O)(=O)=O)=C(OC)C=C2)C(O)=O)=C1</td><td>-4.601501755447183</td><td>-2.2414965945052545</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002746">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2805"><td></td><td><a href="/entries/PHUB002747">3,4'-Dimethoxyrosmarinic acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4'-Dimethoxyrosmarinic acid-3'-sulfate</td><td>PHUB002747</td><td>2805</td><td>468.072632638</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>11</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002747/image.svg" src="" /></td><td>HJLLKXGWNXNMGO-MOTZXUDYSA-N</td><td></td><td>(2S)-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid</td><td>468.43</td><td>5.22e-02 g/l</td><td>0.78</td><td>-3.95</td><td>InChI=1S/C20H20O11S/c1-28-16-9-12(3-6-14(16)21)5-8-19(22)30-18(20(23)24)11-13-4-7-15(17(10-13)29-2)31-32(25,26)27/h3-10,18,21H,11H2,1-2H3,(H,23,24)(H,25,26,27)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(OC)=C(OS(O)(=O)=O)C=C2)C(O)=O)=C1</td><td>-4.603555291286338</td><td>-2.2327751434335137</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002747">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2806"><td></td><td><a href="/entries/PHUB002748">3,4'-Dimethoxyrosmarinic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4'-Dimethoxyrosmarinic acid-4-sulfate</td><td>PHUB002748</td><td>2806</td><td>468.072632638</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002748/image.svg" src="" /></td><td>POBKEEUKHSYXGY-MOTZXUDYSA-N</td><td></td><td>(2S)-3-(3-hydroxy-4-methoxyphenyl)-2-{[(2E)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoyl]oxy}propanoic acid</td><td>468.43</td><td>4.93e-02 g/l</td><td>0.81</td><td>-3.98</td><td>InChI=1S/C20H20O11S/c1-28-15-6-4-13(9-14(15)21)11-18(20(23)24)30-19(22)8-5-12-3-7-16(17(10-12)29-2)31-32(25,26)27/h3-10,18,21H,11H2,1-2H3,(H,23,24)(H,25,26,27)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(OC)=C(OS(O)(=O)=O)C=C2)C(O)=O)C=C1</td><td>-4.602867157036042</td><td>-2.2460772036587535</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002748">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2807"><td></td><td><a href="/entries/PHUB002749">4,3'-Dimethoxyrosmarinic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4,3'-Dimethoxyrosmarinic acid-4'-sulfate</td><td>PHUB002749</td><td>2807</td><td>468.072632638</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002749/image.svg" src="" /></td><td>VOPCFDWIPCFXKP-MOTZXUDYSA-N</td><td></td><td>(2S)-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid</td><td>468.43</td><td>5.67e-02 g/l</td><td>0.76</td><td>-3.92</td><td>InChI=1S/C20H20O11S/c1-28-15-6-3-12(9-14(15)21)5-8-19(22)30-18(20(23)24)11-13-4-7-16(29-2)17(10-13)31-32(25,26)27/h3-10,18,21H,11H2,1-2H3,(H,23,24)(H,25,26,27)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(OS(O)(=O)=O)=C(OC)C=C2)C(O)=O)C=C1</td><td>-4.600666111290747</td><td>-2.2063585041562197</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002749">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2808"><td></td><td><a href="/entries/PHUB002750">4,3'-Dimethoxyrosmarinic acid-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4,3'-Dimethoxyrosmarinic acid-3-sulfate</td><td>PHUB002750</td><td>2808</td><td>468.072632638</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>11</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002750/image.svg" src="" /></td><td>WOBUPWDFWBDULM-MOTZXUDYSA-N</td><td></td><td>(2S)-3-(3-hydroxy-4-methoxyphenyl)-2-{[(2E)-3-[4-methoxy-3-(sulfooxy)phenyl]prop-2-enoyl]oxy}propanoic acid</td><td>468.43</td><td>5.35e-02 g/l</td><td>0.78</td><td>-3.94</td><td>InChI=1S/C20H20O11S/c1-28-15-6-4-13(9-14(15)21)11-18(20(23)24)30-19(22)8-5-12-3-7-16(29-2)17(10-12)31-32(25,26)27/h3-10,18,21H,11H2,1-2H3,(H,23,24)(H,25,26,27)/b8-5+/t18-/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(OS(O)(=O)=O)=C(OC)C=C2)C(O)=O)C=C1</td><td>-4.600820558467274</td><td>-2.2414935989131717</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002750">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2809"><td></td><td><a href="/entries/PHUB002751">3'-Methoxyrosmarinic acid-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxyrosmarinic acid-3-sulfate</td><td>PHUB002751</td><td>2809</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002751/image.svg" src="" /></td><td>VMPXBHSYJIOIFU-PFWMLDTASA-N</td><td></td><td>(2S)-2-{[(2E)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoyl]oxy}-3-(3-hydroxy-4-methoxyphenyl)propanoic acid</td><td>454.4</td><td>1.05e-01 g/l</td><td>0.87</td><td>-3.64</td><td>InChI=1S/C19H18O11S/c1-28-15-6-3-12(8-14(15)21)10-17(19(23)24)29-18(22)7-4-11-2-5-13(20)16(9-11)30-31(25,26)27/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(OS(O)(=O)=O)=C(O)C=C2)C(O)=O)C=C1</td><td>-4.407566331954671</td><td>-2.341064457177851</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002751">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2810"><td></td><td><a href="/entries/PHUB002752">3'-Methoxyrosmarinic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxyrosmarinic acid-4'-sulfate</td><td>PHUB002752</td><td>2810</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002752/image.svg" src="" /></td><td>PPCUCABJRGVBMP-PFWMLDTASA-N</td><td></td><td>(2S)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid</td><td>454.4</td><td>1.11e-01 g/l</td><td>0.79</td><td>-3.61</td><td>InChI=1S/C19H18O11S/c1-28-15-6-3-12(9-16(15)30-31(25,26)27)10-17(19(23)24)29-18(22)7-4-11-2-5-13(20)14(21)8-11/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(OS(O)(=O)=O)C=C(C[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O)C=C1</td><td>-4.912092045822537</td><td>-2.20725963165009</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002752">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2811"><td></td><td><a href="/entries/PHUB002753">3'-Methoxyrosmarinic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxyrosmarinic acid-4-sulfate</td><td>PHUB002753</td><td>2811</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002753/image.svg" src="" /></td><td>HAJPJUNIJWSZDS-PFWMLDTASA-N</td><td></td><td>(2S)-2-{[(2E)-3-[3-hydroxy-4-(sulfooxy)phenyl]prop-2-enoyl]oxy}-3-(3-hydroxy-4-methoxyphenyl)propanoic acid</td><td>454.4</td><td>9.90e-02 g/l</td><td>0.89</td><td>-3.66</td><td>InChI=1S/C19H18O11S/c1-28-15-5-3-12(9-13(15)20)10-17(19(23)24)29-18(22)7-4-11-2-6-16(14(21)8-11)30-31(25,26)27/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=C(C[C@H](OC(=O)\C=C\C2=CC(O)=C(OS(O)(=O)=O)C=C2)C(O)=O)C=C1</td><td>-4.428270848933078</td><td>-2.351197350214656</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002753">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2812"><td></td><td><a href="/entries/PHUB002754">4'-Methoxyrosmarinic acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxyrosmarinic acid-3'-sulfate</td><td>PHUB002754</td><td>2812</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002754/image.svg" src="" /></td><td>FTTBDICCHQILMW-PFWMLDTASA-N</td><td></td><td>(2S)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid</td><td>454.4</td><td>1.03e-01 g/l</td><td>0.80</td><td>-3.64</td><td>InChI=1S/C19H18O11S/c1-28-16-9-12(3-6-15(16)30-31(25,26)27)10-17(19(23)24)29-18(22)7-4-11-2-5-13(20)14(21)8-11/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(OS(O)(=O)=O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C(O)=O)=C1</td><td>-4.913531978280289</td><td>-2.233723670345843</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002754">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2813"><td></td><td><a href="/entries/PHUB002755">4'-Methoxyrosmarinic acid-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxyrosmarinic acid-3-sulfate</td><td>PHUB002755</td><td>2813</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002755/image.svg" src="" /></td><td>TWDMNFPKJNSBPM-PFWMLDTASA-N</td><td></td><td>(2S)-2-{[(2E)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoyl]oxy}-3-(4-hydroxy-3-methoxyphenyl)propanoic acid</td><td>454.4</td><td>9.95e-02 g/l</td><td>0.87</td><td>-3.66</td><td>InChI=1S/C19H18O11S/c1-28-15-9-12(3-6-13(15)20)10-17(19(23)24)29-18(22)7-4-11-2-5-14(21)16(8-11)30-31(25,26)27/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(OS(O)(=O)=O)=C(O)C=C2)C(O)=O)=C1</td><td>-4.407566331954671</td><td>-2.341068224690026</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002755">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2814"><td></td><td><a href="/entries/PHUB002756">4'-Methoxyrosmarinic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-Methoxyrosmarinic acid-4-sulfate</td><td>PHUB002756</td><td>2814</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002756/image.svg" src="" /></td><td>YKXGFLQRIUYKIY-PFWMLDTASA-N</td><td></td><td>(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-{[(2E)-3-[3-hydroxy-4-(sulfooxy)phenyl]prop-2-enoyl]oxy}propanoic acid</td><td>454.4</td><td>9.67e-02 g/l</td><td>0.88</td><td>-3.67</td><td>InChI=1S/C19H18O11S/c1-28-16-9-12(2-5-13(16)20)10-17(19(23)24)29-18(22)7-4-11-3-6-15(14(21)8-11)30-31(25,26)27/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=CC(C[C@H](OC(=O)\C=C\C2=CC(O)=C(OS(O)(=O)=O)C=C2)C(O)=O)=C1</td><td>-4.428270848933078</td><td>-2.351201206664303</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002756">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2815"><td></td><td><a href="/entries/PHUB002757">3-Methoxyrosmarinic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methoxyrosmarinic acid-4-sulfate</td><td>PHUB002757</td><td>2815</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002757/image.svg" src="" /></td><td>JBUIGLBRBPAOME-PFWMLDTASA-N</td><td></td><td>(2S)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoyl]oxy}propanoic acid</td><td>454.4</td><td>1.02e-01 g/l</td><td>0.81</td><td>-3.65</td><td>InChI=1S/C19H18O11S/c1-28-16-9-11(3-6-15(16)30-31(25,26)27)4-7-18(22)29-17(19(23)24)10-12-2-5-13(20)14(21)8-12/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(O)=C(O)C=C2)C(O)=O)=C1</td><td>-4.915282067536541</td><td>-2.247062622696015</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002757">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2816"><td></td><td><a href="/entries/PHUB002758">3-Methoxyrosmarinic acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methoxyrosmarinic acid-3'-sulfate</td><td>PHUB002758</td><td>2816</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002758/image.svg" src="" /></td><td>AZNKUMLFTOMIEG-PFWMLDTASA-N</td><td></td><td>(2S)-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-3-[3-hydroxy-4-(sulfooxy)phenyl]propanoic acid</td><td>454.4</td><td>9.94e-02 g/l</td><td>0.92</td><td>-3.66</td><td>InChI=1S/C19H18O11S/c1-28-16-9-11(2-5-13(16)20)4-7-18(22)29-17(19(23)24)10-12-3-6-15(14(21)8-12)30-31(25,26)27/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(O)=C(OS(O)(=O)=O)C=C2)C(O)=O)=C1</td><td>-4.420018766836856</td><td>-2.3260431910970816</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002758">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2817"><td></td><td><a href="/entries/PHUB002759">3-Methoxyrosmarinic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methoxyrosmarinic acid-4'-sulfate</td><td>PHUB002759</td><td>2817</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002759/image.svg" src="" /></td><td>BICNRQJTGHJHBE-PFWMLDTASA-N</td><td></td><td>(2S)-3-[4-hydroxy-3-(sulfooxy)phenyl]-2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propanoic acid</td><td>454.4</td><td>1.03e-01 g/l</td><td>0.89</td><td>-3.65</td><td>InChI=1S/C19H18O11S/c1-28-15-8-11(2-5-13(15)20)4-7-18(22)29-17(19(23)24)10-12-3-6-14(21)16(9-12)30-31(25,26)27/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=CC(\C=C\C(=O)O[C@@H](CC2=CC(OS(O)(=O)=O)=C(O)C=C2)C(O)=O)=C1</td><td>-4.413503658120334</td><td>-2.289618132641027</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002759">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2818"><td></td><td><a href="/entries/PHUB002760">4-Methoxyrosmarinic acid-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Methoxyrosmarinic acid-3-sulfate</td><td>PHUB002760</td><td>2818</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002760/image.svg" src="" /></td><td>VALNDVYVSUYGEL-PFWMLDTASA-N</td><td></td><td>(2S)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-[4-methoxy-3-(sulfooxy)phenyl]prop-2-enoyl]oxy}propanoic acid</td><td>454.4</td><td>1.06e-01 g/l</td><td>0.80</td><td>-3.63</td><td>InChI=1S/C19H18O11S/c1-28-15-6-3-11(9-16(15)30-31(25,26)27)4-7-18(22)29-17(19(23)24)10-12-2-5-13(20)14(21)8-12/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(OS(O)(=O)=O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(O)=C(O)C=C2)C(O)=O)C=C1</td><td>-4.911102252766569</td><td>-2.2424686694276317</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002760">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2819"><td></td><td><a href="/entries/PHUB002761">4-Methoxyrosmarinic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Methoxyrosmarinic acid-4'-sulfate</td><td>PHUB002761</td><td>2819</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002761/image.svg" src="" /></td><td>WBRJNMFMCYNONW-PFWMLDTASA-N</td><td></td><td>(2S)-3-[3-hydroxy-4-(sulfooxy)phenyl]-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}propanoic acid</td><td>454.4</td><td>9.86e-02 g/l</td><td>0.91</td><td>-3.66</td><td>InChI=1S/C19H18O11S/c1-28-15-5-2-11(8-13(15)20)4-7-18(22)29-17(19(23)24)10-12-3-6-16(14(21)9-12)30-31(25,26)27/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(O)=C(OS(O)(=O)=O)C=C2)C(O)=O)C=C1</td><td>-4.420018766836856</td><td>-2.3260318379235008</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002761">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2820"><td></td><td><a href="/entries/PHUB002762">4-Methoxyrosamrinic acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Methoxyrosamrinic acid-4'-sulfate</td><td>PHUB002762</td><td>2820</td><td>454.056982574</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>11</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002762/image.svg" src="" /></td><td>WBRJNMFMCYNONW-PFWMLDTASA-N</td><td></td><td>(2S)-3-[3-hydroxy-4-(sulfooxy)phenyl]-2-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}propanoic acid</td><td>454.4</td><td>9.86e-02 g/l</td><td>0.91</td><td>-3.66</td><td>InChI=1S/C19H18O11S/c1-28-15-5-2-11(8-13(15)20)4-7-18(22)29-17(19(23)24)10-12-3-6-16(14(21)9-12)30-31(25,26)27/h2-9,17,20-21H,10H2,1H3,(H,23,24)(H,25,26,27)/b7-4+/t17-/m0/s1</td><td>COC1=C(O)C=C(\C=C\C(=O)O[C@@H](CC2=CC(O)=C(OS(O)(=O)=O)C=C2)C(O)=O)C=C1</td><td>-4.420018766836856</td><td>-2.3260318379235008</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002762">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2821"><td></td><td><a href="/entries/PHUB002763">3,4-dihydroxyphenyllactic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3,4-dihydroxyphenyllactic acid</td><td>PHUB002763</td><td>2821</td><td>198.052823422</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002763/image.svg" src="" /></td><td>PAFLSMZLRSPALU-UHFFFAOYSA-N</td><td></td><td>3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid</td><td>198.174</td><td>6.70e+00 g/l</td><td>0.77</td><td>-1.47</td><td>InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)</td><td>OC(CC1=CC=C(O)C(O)=C1)C(O)=O</td><td>-3.8352708457687448</td><td>3.258224734768921</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002763">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2822"><td></td><td><a href="/entries/PHUB002764">3-Methoxy,4-hydroxyphenyllactic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methoxy,4-hydroxyphenyllactic acid</td><td>PHUB002764</td><td>2822</td><td>212.068473486</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002764/image.svg" src="" /></td><td>SVYIZYRTOYHQRE-UHFFFAOYSA-N</td><td></td><td>2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid</td><td>212.201</td><td>4.30e+00 g/l</td><td>1.08</td><td>-1.69</td><td>InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)</td><td>COC1=CC(CC(O)C(O)=O)=CC=C1O</td><td>-3.8355517102509062</td><td>3.372018315408929</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002764">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2823"><td></td><td><a href="/entries/PHUB002765">4-Methoxy,3-hydroxyphenyllactic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Methoxy,3-hydroxyphenyllactic acid</td><td>PHUB002765</td><td>2823</td><td>212.068473486</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002765/image.svg" src="" /></td><td>UIQJPTIJLALAGB-UHFFFAOYNA-N</td><td></td><td>2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid</td><td>212.201</td><td>4.63e+00 g/l</td><td>1.09</td><td>-1.66</td><td>InChI=1/C10H12O5/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)</td><td>COC1=CC=C(CC(O)C(O)=O)C=C1O</td><td>-3.8357555205546174</td><td>3.3720154215010756</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002765">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2824"><td></td><td><a href="/entries/PHUB002766">4-Methoxyphenyllactic acid-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Methoxyphenyllactic acid-3-glucuronide</td><td>PHUB002766</td><td>2824</td><td>388.100561464</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002766/image.svg" src="" /></td><td>ATBSVFCQRJGNKZ-HVFJAJQANA-N</td><td></td><td>(2R,3R,4R,5S,6R)-6-[5-(2-carboxy-2-hydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>388.325</td><td>8.10e+00 g/l</td><td>-1.04</td><td>-1.68</td><td>InChI=1/C16H20O11/c1-25-8-3-2-6(4-7(17)14(21)22)5-9(8)26-16-12(20)10(18)11(19)13(27-16)15(23)24/h2-3,5,7,10-13,16-20H,4H2,1H3,(H,21,22)(H,23,24)/t7?,10-,11-,12+,13-,16+/s2</td><td>COC1=CC=C(CC(O)C(O)=O)C=C1O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O</td><td>-3.6868279769341314</td><td>2.880535069106352</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002766">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2825"><td></td><td><a href="/entries/PHUB002767">3-Methoxyphenyllactic acid-4-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methoxyphenyllactic acid-4-glucuronide</td><td>PHUB002767</td><td>2825</td><td>388.100561464</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002767/image.svg" src="" /></td><td>PVTDEMJHZGEDBA-HVFJAJQANA-N</td><td></td><td>(2R,3R,4R,5S,6R)-6-[4-(2-carboxy-2-hydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>388.325</td><td>7.71e+00 g/l</td><td>-1.05</td><td>-1.70</td><td>InChI=1/C16H20O11/c1-25-9-5-6(4-7(17)14(21)22)2-3-8(9)26-16-12(20)10(18)11(19)13(27-16)15(23)24/h2-3,5,7,10-13,16-20H,4H2,1H3,(H,21,22)(H,23,24)/t7?,10-,11-,12+,13-,16+/s2</td><td>COC1=CC(CC(O)C(O)=O)=CC=C1O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O</td><td>-3.6868279760573377</td><td>2.865485083311136</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002767">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2826"><td></td><td><a href="/entries/PHUB002768">3-Methoxyphenyllactic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Methoxyphenyllactic acid-4-sulfate</td><td>PHUB002768</td><td>2826</td><td>292.02528852</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002768/image.svg" src="" /></td><td>YASQBPMWYKAZSI-UHFFFAOYNA-N</td><td></td><td>2-hydroxy-3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid</td><td>292.26</td><td>1.80e+00 g/l</td><td>-1.03</td><td>-2.21</td><td>InChI=1/C10H12O8S/c1-17-9-5-6(4-7(11)10(12)13)2-3-8(9)18-19(14,15)16/h2-3,5,7,11H,4H2,1H3,(H,12,13)(H,14,15,16)</td><td>COC1=CC(CC(O)C(O)=O)=CC=C1OS(O)(=O)=O</td><td>-3.848265739812104</td><td>-2.2207051722667077</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002768">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2827"><td></td><td><a href="/entries/PHUB002769">4-Methoxyphenyllactic acid-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Methoxyphenyllactic acid-3-sulfate</td><td>PHUB002769</td><td>2827</td><td>292.02528852</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002769/image.svg" src="" /></td><td>QOYSEFLGVZYPQO-UHFFFAOYNA-N</td><td></td><td>2-hydroxy-3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid</td><td>292.26</td><td>1.99e+00 g/l</td><td>-1.02</td><td>-2.17</td><td>InChI=1/C10H12O8S/c1-17-8-3-2-6(4-7(11)10(12)13)5-9(8)18-19(14,15)16/h2-3,5,7,11H,4H2,1H3,(H,12,13)(H,14,15,16)</td><td>COC1=CC=C(CC(O)C(O)=O)C=C1OS(O)(=O)=O</td><td>-3.8401218463618476</td><td>-2.1744681136332003</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002769">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2828"><td></td><td><a href="/entries/PHUB002770">3-Hydroxyphenyllactic acid-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-Hydroxyphenyllactic acid-4-sulfate</td><td>PHUB002770</td><td>2828</td><td>278.009638456</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002770/image.svg" src="" /></td><td>BADOAFZCCPOBHF-UHFFFAOYNA-N</td><td></td><td>2-hydroxy-3-[3-hydroxy-4-(sulfooxy)phenyl]propanoic acid</td><td>278.23</td><td>2.78e+00 g/l</td><td>-0.93</td><td>-2.00</td><td>InChI=1/C9H10O8S/c10-6-3-5(4-7(11)9(12)13)1-2-8(6)17-18(14,15)16/h1-3,7,10-11H,4H2,(H,12,13)(H,14,15,16)</td><td>OC(CC1=CC=C(OS(O)(=O)=O)C(O)=C1)C(O)=O</td><td>-3.8480239845798523</td><td>-2.3180640957251257</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002770">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2829"><td></td><td><a href="/entries/PHUB002771">4-Hydroxyphenyllactic acid-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxyphenyllactic acid-3-sulfate</td><td>PHUB002771</td><td>2829</td><td>278.009638456</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002771/image.svg" src="" /></td><td>WFPAKFYGSNYIII-UHFFFAOYNA-N</td><td></td><td>2-hydroxy-3-[4-hydroxy-3-(sulfooxy)phenyl]propanoic acid</td><td>278.23</td><td>2.93e+00 g/l</td><td>-0.94</td><td>-1.98</td><td>InChI=1/C9H10O8S/c10-6-2-1-5(3-7(11)9(12)13)4-8(6)17-18(14,15)16/h1-2,4,7,10-11H,3H2,(H,12,13)(H,14,15,16)</td><td>OC(CC1=CC=C(O)C(OS(O)(=O)=O)=C1)C(O)=O</td><td>-3.839647022484898</td><td>-2.269466585390992</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002771">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2831"><td></td><td><a href="/entries/PHUB002773">Linusitamarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002773</td><td>2831</td><td>370.126382288</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>9</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002773/image.svg" src="" /></td><td>USFDIQKRDRIDPN-QVJZVTJSNA-N</td><td>152574-10-2</td><td></td><td>370.354</td><td></td><td></td><td></td><td>InChI=1/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3+/t12-,14-,15+,16-,17-/s2</td><td>COC(=O)\C=C\C1=CC(OC)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1</td><td></td><td></td><td><a href="/food_sources/68">Flaxseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002773">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2833"><td></td><td><a href="/entries/PHUB002775">4-Hydroxy-5-(4'-methoxyphenyl)valeric acid-3'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(4'-methoxyphenyl)valeric acid-3'-sulfate</td><td>PHUB002775</td><td>2833</td><td>320.056588649</td><td>C<sub>12</sub>H<sub>16</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002775/image.svg" src="" /></td><td>MFHSGCMDDUKYSZ-UHFFFAOYSA-N</td><td></td><td></td><td>320.31</td><td></td><td></td><td></td><td>InChI=1S/C12H16O8S/c1-19-10-4-2-8(6-9(13)3-5-12(14)15)7-11(10)20-21(16,17)18/h2,4,7,9,13H,3,5-6H2,1H3,(H,14,15)(H,16,17,18)</td><td>COC1=CC=C(CC(O)CCC(O)=O)C=C1OS(O)(=O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002775">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2835"><td></td><td><a href="/entries/PHUB002777">Linocinnamarin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002777</td><td>2835</td><td>340.115817604</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>8</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002777/image.svg" src="" /></td><td>KPYQJVYNSWDFQU-QPJJXVBHNA-N</td><td>554-87-0</td><td></td><td>340.328</td><td></td><td></td><td></td><td>InChI=1/C16H20O8/c1-22-12(18)7-4-9-2-5-10(6-3-9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+</td><td>COC(=O)\C=C\C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1</td><td></td><td></td><td><a href="/food_sources/68">Flaxseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002777">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2836"><td></td><td><a href="/entries/PHUB002778">5-(3'- Hydroxy-4'-methoxyphenyl)-γ-valerolactone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(3'- Hydroxy-4'-methoxyphenyl)-γ-valerolactone</td><td>PHUB002778</td><td>2836</td><td>222.089208931</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>4</sub></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002778/image.svg" src="" /></td><td>CEZQHDADSGTTOP-UHFFFAOYNA-N</td><td></td><td></td><td>222.24</td><td></td><td></td><td></td><td>InChI=1/C12H14O4/c1-15-11-4-2-8(7-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3</td><td>COC1=C(O)C=C(CC2CCC(=O)O2)C=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002778">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2837"><td></td><td><a href="/entries/PHUB002779">4-sulfoxy-5-(phenyl)valeric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td> 4-sulfoxy-5-(phenyl)valeric acid</td><td>PHUB002779</td><td>2837</td><td>274.051109345</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002779/image.svg" src="" /></td><td>GAQUQQROGBFRNX-UHFFFAOYNA-N</td><td></td><td>5-phenyl-4-(sulfooxy)pentanoic acid</td><td>274.29</td><td></td><td></td><td></td><td>InChI=1/C11H14O6S/c12-11(13)7-6-10(17-18(14,15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)(H,14,15,16)</td><td>OC(=O)CCC(CC1=CC=CC=C1)OS(O)(=O)=O</td><td></td><td>-1.592686951335105</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002779">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2838"><td></td><td><a href="/entries/PHUB002780">Herbacetin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002780</td><td>2838</td><td>302.042652662</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Pollenin A</td><td class="structure"><img data-src="/structures/PHUB002780/image.svg" src="" /></td><td>ZDOTZEDNGNPOEW-UHFFFAOYSA-N</td><td>527-95-7</td><td></td><td>302.238</td><td></td><td></td><td></td><td>InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H</td><td>OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(O)=C(O)C=C2O</td><td></td><td></td><td><a href="/food_sources/68">Flaxseed</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002780">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2839"><td></td><td><a href="/entries/PHUB002781">4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid</td><td>PHUB002781</td><td>2839</td><td>240.099773615</td><td>C<sub>12</sub>H<sub>16</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002781/image.svg" src="" /></td><td>CFMJXTBZNIHBSJ-SECBINFHSA-N</td><td></td><td></td><td>240.255</td><td></td><td></td><td></td><td>InChI=1S/C12H16O5/c1-17-11-4-2-8(7-10(11)14)6-9(13)3-5-12(15)16/h2,4,7,9,13-14H,3,5-6H2,1H3,(H,15,16)/t9-/m1/s1</td><td>COC1=CC=C(C[C@H](O)CCC(O)=O)C=C1O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002781">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2840"><td></td><td><a href="/entries/PHUB002782">4-Hydroxy-5-(3'-hydroxyphenyl)valeric acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002782</td><td>2840</td><td>306.040938585</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002782/image.svg" src="" /></td><td>GSTPJGFSDIEVSY-SVGMAFHSNA-N</td><td></td><td></td><td>306.29</td><td></td><td></td><td></td><td>InChI=1/C11H14O8S/c12-8(2-4-11(14)15)5-7-1-3-10(9(13)6-7)19-20(16,17)18/h1,3,6,8,12-13H,2,4-5H2,(H,14,15)(H,16,17,18)/t8-/s2</td><td>O[C@H](CCC(O)=O)CC1=CC=C(OS(O)(=O)=O)C(O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002782">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2841"><td></td><td><a href="/entries/PHUB002783">4-Hydroxy-5-(4'-hydroxy- 3'-methoxyphenyl)valeric acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(4'-hydroxy- 3'-methoxyphenyl)valeric acid</td><td>PHUB002783</td><td>2841</td><td>240.099773615</td><td>C<sub>12</sub>H<sub>16</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002783/image.svg" src="" /></td><td>CFMJXTBZNIHBSJ-IMWMWJONNA-N</td><td></td><td></td><td>240.255</td><td></td><td></td><td></td><td>InChI=1/C12H16O5/c1-17-11-4-2-8(7-10(11)14)6-9(13)3-5-12(15)16/h2,4,7,9,13-14H,3,5-6H2,1H3,(H,15,16)/t9-/s2</td><td>COC1=CC=C(C[C@@H](O)CCC(O)=O)C=C1O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002783">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2842"><td></td><td><a href="/entries/PHUB002784">4-Hydroxy-5-(Phenyl)valeric acid-3',4'-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-Hydroxy-5-(Phenyl)valeric acid-3',4'-disulfate</td><td>PHUB002784</td><td>2842</td><td>385.997753619</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>11</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002784/image.svg" src="" /></td><td>IFTXMNJBZWBSSL-UHFFFAOYSA-N</td><td></td><td></td><td>386.34</td><td></td><td></td><td></td><td>InChI=1S/C11H14O11S2/c12-8(2-4-11(13)14)5-7-1-3-9(21-23(15,16)17)10(6-7)22-24(18,19)20/h1,3,6,8,12H,2,4-5H2,(H,13,14)(H,15,16,17)(H,18,19,20)</td><td>OC(CCC(O)=O)CC1=CC(OS(O)(=O)=O)=C(OS(O)(=O)=O)C=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002784">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2843"><td></td><td><a href="/entries/PHUB002785">5-(3'-Hydroxyphenyl)valeric acid-4'-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002785</td><td>2843</td><td>290.046023965</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002785/image.svg" src="" /></td><td>CABZBRSEXWBGOQ-UHFFFAOYSA-N</td><td></td><td></td><td>290.29</td><td></td><td></td><td></td><td>InChI=1S/C11H14O7S/c12-9-7-8(3-1-2-4-11(13)14)5-6-10(9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)</td><td>OC(=O)CCCCC1=CC=C(OS(O)(=O)=O)C(O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002785">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2845"><td></td><td><a href="/entries/PHUB002787">5-(4'-Methoxyphenyl)-γ-valerolactone-3'-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(4'-Methoxyphenyl)-γ-valerolactone-3'-glucuronide</td><td>PHUB002787</td><td>2845</td><td>398.121296908</td><td>C<sub>18</sub>H<sub>22</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002787/image.svg" src="" /></td><td>VZGJAVFCUBLIJF-HWVIEXMXNA-N</td><td></td><td></td><td>398.364</td><td></td><td></td><td></td><td>InChI=1/C18H22O10/c1-25-10-4-2-8(6-9-3-5-12(19)26-9)7-11(10)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)/t9-,13+,14+,15-,16+,18-/s2</td><td>COC1=CC=C(C[C@H]2CCC(=O)O2)C=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002787">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2848"><td></td><td><a href="/entries/PHUB002790">5-(Phenyl)-γ-valerolactone-3',4'-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Phenyl)-γ-valerolactone-3',4'-disulfate</td><td>PHUB002790</td><td>2848</td><td>366.007924379</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>9</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Phenylvalerolactones and phenylvaleric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002790/image.svg" src="" /></td><td>AHCSTTURSNKEEE-SVGMAFHSNA-N</td><td></td><td></td><td>366.36</td><td></td><td></td><td></td><td>InChI=1/C12H14O9S2/c13-10-3-1-8(6-10)5-9-2-4-11(20-22(14,15)16)12(7-9)21-23(17,18)19/h2,4,7-8H,1,3,5-6H2,(H,14,15,16)(H,17,18,19)/t8-/s2</td><td>OS(=O)(=O)OC1=CC=C(C[C@H]2CCC(=O)C2)C=C1OS(O)(=O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002790">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2849"><td></td><td><a href="/entries/PHUB002791">dihydrocurcumin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002791</td><td>2849</td><td>368.162373873</td><td>C<sub>22</sub>H<sub>24</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002791/image.svg" src="" /></td><td>UIFLLPSWTMQZFE-YWAYREADSA-N</td><td></td><td></td><td>368.429</td><td></td><td></td><td></td><td>InChI=1S/C22H24O5/c1-15-4-5-16(12-21(15)26-2)6-9-18(23)14-19(24)10-7-17-8-11-20(25)22(13-17)27-3/h4-5,7-8,10-14,23,25H,6,9H2,1-3H3/b10-7+,18-14-</td><td>COC1=CC(\C=C\C(=O)\C=C(/O)CCC2=CC(OC)=C(C)C=C2)=CC=C1O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002791">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2850"><td></td><td><a href="/entries/PHUB002792">dihydrocurcumin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002792</td><td>2850</td><td>546.173726406</td><td>C<sub>27</sub>H<sub>30</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002792/image.svg" src="" /></td><td>KVELFAOSGXWONI-ISJNLURQSA-N</td><td></td><td></td><td>546.525</td><td></td><td></td><td></td><td>InChI=1S/C27H30O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h4-6,8-13,22-25,27-28,30-33H,3,7H2,1-2H3,(H,34,35)/b8-4+,16-13-/t22-,23-,24+,25-,27+/m0/s1</td><td>COC1=C(O)C=CC(CC\C(O)=C\C(=O)\C=C\C2=CC(OC)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002792">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2851"><td></td><td><a href="/entries/PHUB002793">tetrahydrocurcumin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002793</td><td>2851</td><td>548.18937647</td><td>C<sub>27</sub>H<sub>32</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002793/image.svg" src="" /></td><td>NJXVQZJOUDIWTN-DPYRWGAKSA-N</td><td></td><td></td><td>548.541</td><td></td><td></td><td></td><td>InChI=1S/C27H32O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h5-6,9-13,22-25,27-28,30-33H,3-4,7-8H2,1-2H3,(H,34,35)/b16-13-/t22-,23-,24+,25-,27+/m0/s1</td><td>COC1=C(O)C=CC(CC\C(O)=C\C(=O)CCC2=CC(OC)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002793">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2852"><td></td><td><a href="/entries/PHUB002794">dihydrocurcumin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002794</td><td>2852</td><td>450.098453462</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002794/image.svg" src="" /></td><td>WDPLQXFHWGKYDP-ZUUZESNCSA-N</td><td></td><td></td><td>450.46</td><td></td><td></td><td></td><td>InChI=1S/C21H22O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h4-6,8-13,22,24H,3,7H2,1-2H3,(H,25,26,27)/b8-4+,16-13-</td><td>COC1=CC(\C=C\C(=O)\C=C(/O)CCC2=CC(OC)=C(O)C=C2)=CC=C1OS(O)(=O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002794">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2853"><td></td><td><a href="/entries/PHUB002795">tetrahydrocurcumin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002795</td><td>2853</td><td>452.114103527</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002795/image.svg" src="" /></td><td>ZUWZVTGDQREQKY-SSZFMOIBSA-N</td><td></td><td></td><td>452.47</td><td></td><td></td><td></td><td>InChI=1S/C21H24O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h5-6,9-13,22,24H,3-4,7-8H2,1-2H3,(H,25,26,27)/b16-13-</td><td>COC1=C(O)C=CC(CC\C(O)=C\C(=O)CCC2=CC(OC)=C(OS(O)(=O)=O)C=C2)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002795">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2854"><td></td><td><a href="/entries/PHUB002796">hexahydrocurcumin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002796</td><td>2854</td><td>454.129753591</td><td>C<sub>21</sub>H<sub>26</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002796/image.svg" src="" /></td><td>NPUIXJDJGHTQCD-UHFFFAOYSA-N</td><td></td><td></td><td>454.49</td><td></td><td></td><td></td><td>InChI=1S/C21H26O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h5-6,9-12,16,22,24H,3-4,7-8,13H2,1-2H3,(H,25,26,27)</td><td>COC1=C(O)C=CC(CCC(O)CC(=O)CCC2=CC(OC)=C(OS(O)(=O)=O)C=C2)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002796">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2855"><td></td><td><a href="/entries/PHUB002797">Octahydrocurcumin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002797</td><td>2855</td><td>456.145403656</td><td>C<sub>21</sub>H<sub>28</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Curcuminoid metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB002797/image.svg" src="" /></td><td>QTVNBFQTVURIKO-UHFFFAOYSA-N</td><td></td><td></td><td>456.51</td><td></td><td></td><td></td><td>InChI=1S/C21H28O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h5-6,9-12,16-17,22-24H,3-4,7-8,13H2,1-2H3,(H,25,26,27)</td><td>COC1=C(O)C=CC(CCC(O)CC(O)CCC2=CC(OC)=C(OS(O)(=O)=O)C=C2)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002797">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2856"><td></td><td><a href="/entries/PHUB002798">3-(4â-methoxyphenyl)hydracrylic acid-3â- glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002798</td><td>2856</td><td>388.100561464</td><td>C<sub>16</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002798/image.svg" src="" /></td><td>XCBJATRGGUBFOF-KIFLJROGNA-N</td><td></td><td></td><td>388.325</td><td></td><td></td><td></td><td>InChI=1/C16H20O11/c1-25-8-3-2-6(7(17)5-10(18)19)4-9(8)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h2-4,7,11-14,16-17,20-22H,5H2,1H3,(H,18,19)(H,23,24)/t7?,11?,12?,13?,14?,16-/s2</td><td>COC1=C(O[C@H]2OC(C(O)C(O)C2O)C(O)=O)C=C(C=C1)C(O)CC(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002798">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2857"><td></td><td><a href="/entries/PHUB002799">3-(4â-methyl-phenyl)hydracrylic acid-3â- sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002799</td><td>2857</td><td>292.02528852</td><td>C<sub>10</sub>H<sub>12</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002799/image.svg" src="" /></td><td>VDXQMQIZRJDHRP-UHFFFAOYNA-N</td><td></td><td></td><td>292.26</td><td></td><td></td><td></td><td>InChI=1/C10H12O8S/c1-17-8-3-2-6(7(11)5-10(12)13)4-9(8)18-19(14,15)16/h2-4,7,11H,5H2,1H3,(H,12,13)(H,14,15,16)</td><td>COC1=C(OS(O)(=O)=O)C=C(C=C1)C(O)CC(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002799">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2858"><td></td><td><a href="/entries/PHUB002800">3-(phenyl)hydracrylic acid-3â²-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002800</td><td>2858</td><td>358.08999678</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002800/image.svg" src="" /></td><td>RXISRNVNGBGVAF-WTMRULEMNA-N</td><td></td><td></td><td>358.299</td><td></td><td></td><td></td><td>InChI=1/C15H18O10/c16-8(5-9(17)18)6-2-1-3-7(4-6)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-4,8,10-13,15-16,19-21H,5H2,(H,17,18)(H,22,23)/t8?,10-,11-,12+,13-,15+/s2</td><td>OC(CC(O)=O)C1=CC(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=CC=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002800">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2859"><td></td><td><a href="/entries/PHUB002801">3-(phenyl)hydracrylic acid-3â²-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002801</td><td>2859</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002801/image.svg" src="" /></td><td>UZEDPNPNHRAITH-UHFFFAOYNA-N</td><td></td><td></td><td>262.23</td><td></td><td></td><td></td><td>InChI=1/C9H10O7S/c10-8(5-9(11)12)6-2-1-3-7(4-6)16-17(13,14)15/h1-4,8,10H,5H2,(H,11,12)(H,13,14,15)</td><td>OC(CC(O)=O)C1=CC(OS(O)(=O)=O)=CC=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002801">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2860"><td></td><td><a href="/entries/PHUB002802">3-(phenyl)-propionic acid-3â-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002802</td><td>2860</td><td>342.09508216</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002802/image.svg" src="" /></td><td>YFLHDBYZUJBQGB-XIPBYXJENA-N</td><td></td><td></td><td>342.3</td><td></td><td></td><td></td><td>InChI=1/C15H18O9/c16-9(17)5-4-7-2-1-3-8(6-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-3,6,10-13,15,18-20H,4-5H2,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/s2</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=CC(CCC(O)=O)=C2)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002802">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2861"><td></td><td><a href="/entries/PHUB002803">3-(Phenyl)propionic acid-4â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002803</td><td>2861</td><td>246.019809216</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002803/image.svg" src="" /></td><td>YKAVCSNFDHAGEG-UHFFFAOYSA-N</td><td></td><td></td><td>246.23</td><td></td><td></td><td></td><td>InChI=1S/C9H10O6S/c10-9(11)6-3-7-1-4-8(5-2-7)15-16(12,13)14/h1-2,4-5H,3,6H2,(H,10,11)(H,12,13,14)</td><td>OC(=O)CCC1=CC=C(OS(O)(=O)=O)C=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002803">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2862"><td></td><td><a href="/entries/PHUB002804">3-(phenyl)-propionic acid-3â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002804</td><td>2862</td><td>246.019809216</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002804/image.svg" src="" /></td><td>IQWLPDPKVFZEOK-UHFFFAOYSA-N</td><td></td><td></td><td>246.23</td><td></td><td></td><td></td><td>InChI=1S/C9H10O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-3,6H,4-5H2,(H,10,11)(H,12,13,14)</td><td>OC(=O)CCC1=CC(OS(O)(=O)=O)=CC=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002804">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2863"><td></td><td><a href="/entries/PHUB002805">3â-hydroxy-4â-methoxyphenylacetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002805</td><td>2863</td><td>182.057908802</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002805/image.svg" src="" /></td><td>BWXLCOBSWMQCGP-UHFFFAOYSA-N</td><td></td><td></td><td>182.175</td><td></td><td></td><td></td><td>InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)</td><td>COC1=CC=C(CC(O)=O)C=C1O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002805">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2864"><td></td><td><a href="/entries/PHUB002806">3â-methoxy-phenylacetic acid-4â-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002806</td><td>2864</td><td>358.08999678</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002806/image.svg" src="" /></td><td>CXBMXYMXMRBMJY-QPSIHNATNA-N</td><td></td><td></td><td>358.299</td><td></td><td></td><td></td><td>InChI=1/C15H18O10/c1-23-8-4-6(5-9(16)17)2-3-7(8)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,10-13,15,18-20H,5H2,1H3,(H,16,17)(H,21,22)/t10-,11-,12+,13?,15-/s2</td><td>COC1=CC(CC(O)=O)=CC=C1O[C@@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002806">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2865"><td></td><td><a href="/entries/PHUB002807">3â-methoxyphenyl acetic acid -4â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002807</td><td>2865</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002807/image.svg" src="" /></td><td>IACOAKYXFIWAQN-UHFFFAOYSA-N</td><td></td><td></td><td>262.23</td><td></td><td></td><td></td><td>InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)</td><td>COC1=CC(CC(O)=O)=CC=C1OS(O)(=O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002807">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2866"><td></td><td><a href="/entries/PHUB002808">4â-hydroxyphenylacetic acid-3â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002808</td><td>2866</td><td>247.999073772</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002808/image.svg" src="" /></td><td>KAIXMDKRVHGWDK-UHFFFAOYSA-N</td><td></td><td></td><td>248.21</td><td></td><td></td><td></td><td>InChI=1S/C8H8O7S/c9-6-2-1-5(4-8(10)11)3-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)</td><td>OC(=O)CC1=CC=C(O)C(OS(O)(=O)=O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002808">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2867"><td></td><td><a href="/entries/PHUB002809">(+)-Neomenthol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002809</td><td>2867</td><td>156.151415264</td><td>C<sub>10</sub>H<sub>20</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002809/image.svg" src="" /></td><td>NOOLISFMXDJSKH-UTLUCORTSA-N</td><td>491-01-0</td><td></td><td>156.269</td><td></td><td></td><td></td><td>InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1</td><td>CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O</td><td></td><td></td><td><a href="/food_sources/116">Peppermint</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002809">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2868"><td></td><td><a href="/entries/PHUB002810">Benzoic acid-3,4 di-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002810</td><td>2868</td><td>506.090784628</td><td>C<sub>19</sub>H<sub>22</sub>O<sub>16</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002810/image.svg" src="" /></td><td>CJYABQNRYSELDR-IKUFASMCNA-N</td><td></td><td></td><td>506.369</td><td></td><td></td><td></td><td>InChI=1/C19H22O16/c20-8-7(15(27)28)18(35-17(31)11(8)23)33-6-3-4(14(25)26)1-2-5(6)32-19-12(24)9(21)10(22)13(34-19)16(29)30/h1-3,7-13,17-24,31H,(H,25,26)(H,27,28)(H,29,30)/t7-,8+,9-,10-,11-,12+,13-,17-,18-,19+/s2</td><td>
8O[C@@H]1O[C@@H](OC2=C(O[C@H]3O[C@H]([C@H](O)[C@@H](O)[C@@H]3O)C(O)=O)C=CC(=C2)C(O)=O)[C@H]([C@H](O)[C@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002810">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2869"><td></td><td><a href="/entries/PHUB002811">Isomenthol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002811</td><td>2869</td><td>156.151415264</td><td>C<sub>10</sub>H<sub>20</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002811/image.svg" src="" /></td><td>NOOLISFMXDJSKH-LPEHRKFASA-N</td><td>3623-52-7</td><td></td><td>156.269</td><td></td><td></td><td></td><td>InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1</td><td>CC(C)[C@@H]1CC[C@H](C)C[C@H]1O</td><td></td><td></td><td><a href="/food_sources/116">Peppermint</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002811">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2870"><td></td><td><a href="/entries/PHUB002812">Menthyl isovalerate</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002812</td><td>2870</td><td>240.208930142</td><td>C<sub>15</sub>H<sub>28</sub>O<sub>2</sub></td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Menthol isovalerate</td><td class="structure"><img data-src="/structures/PHUB002812/image.svg" src="" /></td><td>VYQSSWZYPCCBRN-HZSPNIEDSA-N</td><td>16409-46-4</td><td></td><td>240.387</td><td></td><td></td><td></td><td>InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3/t12-,13+,14-/m1/s1</td><td>CC(C)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C</td><td></td><td></td><td><a href="/food_sources/116">Peppermint</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002812">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2871"><td></td><td><a href="/entries/PHUB002813">Menthofuran</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002813</td><td>2871</td><td>150.104465071</td><td>C<sub>10</sub>H<sub>14</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002813/image.svg" src="" /></td><td>YGWKXXYGDYYFJU-UHFFFAOYNA-N</td><td>494-90-6</td><td></td><td>150.221</td><td></td><td></td><td></td><td>InChI=1/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3</td><td>CC1CCC2=C(C1)OC=C2C</td><td></td><td></td><td><a href="/food_sources/116">Peppermint</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002813">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2872"><td></td><td><a href="/entries/PHUB002814">4â-methoxy-acetic acid-3â-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002814</td><td>2872</td><td>358.08999678</td><td>C<sub>15</sub>H<sub>18</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002814/image.svg" src="" /></td><td>JYOMJVNMRCLEEI-XIPBYXJENA-N</td><td></td><td></td><td>358.299</td><td></td><td></td><td></td><td>InChI=1/C15H18O10/c1-23-7-3-2-6(5-9(16)17)4-8(7)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,10-13,15,18-20H,5H2,1H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/s2</td><td>COC1=CC=C(CC(O)=O)C=C1O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002814">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2873"><td></td><td><a href="/entries/PHUB002815">4â-hydroxyphenyl-acetic acid-3â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002815</td><td>2873</td><td>262.014723836</td><td>C<sub>9</sub>H<sub>10</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002815/image.svg" src="" /></td><td>COVLBNYCVONHJL-UHFFFAOYSA-N</td><td></td><td></td><td>262.23</td><td></td><td></td><td></td><td>InChI=1S/C9H10O7S/c1-15-7-3-2-6(5-9(10)11)4-8(7)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)</td><td>COC1=CC=C(CC(O)=O)C=C1OS(O)(=O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002815">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2874"><td></td><td><a href="/entries/PHUB002816">Protocatechuic acid-disulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Benzoic acid-3,4 di-sulfate</td><td>PHUB002816</td><td>2874</td><td>313.940238741</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>10</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002816/image.svg" src="" /></td><td>OQJVPDPCTDBYQQ-UHFFFAOYSA-N</td><td></td><td></td><td>314.24</td><td></td><td></td><td></td><td>InChI=1S/C7H6O10S2/c8-7(9)4-1-2-5(16-18(10,11)12)6(3-4)17-19(13,14)15/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15)</td><td>OC(=O)C1=CC(OS(O)(=O)=O)=C(OS(O)(=O)=O)C=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002816">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2875"><td></td><td><a href="/entries/PHUB002817">Benzoic acid-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Benzoic acid-3-glucuronide</td><td>PHUB002817</td><td>2875</td><td>314.063782031</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002817/image.svg" src="" /></td><td>ZXNABXFYKZWAPQ-IUAKQBCBNA-N</td><td></td><td></td><td>314.246</td><td></td><td></td><td></td><td>InChI=1/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-2-5(4-6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/s2</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=CC(=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002817">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2876"><td></td><td><a href="/entries/PHUB002818">Benzoic acid-3-glucuronide-4-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002818</td><td>2876</td><td>410.015511685</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002818/image.svg" src="" /></td><td>JHMALPRRLSETJY-IUAKQBCBNA-N</td><td></td><td></td><td>410.3</td><td></td><td></td><td></td><td>InChI=1/C13H14O13S/c14-7-8(15)10(12(19)20)25-13(9(7)16)24-6-3-4(11(17)18)1-2-5(6)26-27(21,22)23/h1-3,7-10,13-16H,(H,17,18)(H,19,20)(H,21,22,23)/t7-,8-,9+,10-,13+/s2</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(OS(O)(=O)=O)C=CC(=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002818">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2877"><td></td><td><a href="/entries/PHUB002819">Benzoic acid-4-glucuronide-3-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002819</td><td>2877</td><td>410.015511685</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002819/image.svg" src="" /></td><td>DUJHPYSDVQIAJS-IUAKQBCBNA-N</td><td></td><td></td><td>410.3</td><td></td><td></td><td></td><td>InChI=1/C13H14O13S/c14-7-8(15)10(12(19)20)25-13(9(7)16)24-5-2-1-4(11(17)18)3-6(5)26-27(21,22)23/h1-3,7-10,13-16H,(H,17,18)(H,19,20)(H,21,22,23)/t7-,8-,9+,10-,13+/s2</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=C(OS(O)(=O)=O)C=C(C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002819">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2878"><td></td><td><a href="/entries/PHUB002820">Hesperetin-3',5-di-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002820</td><td>2878</td><td>445.997753619</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>11</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002820/image.svg" src="" /></td><td>KFOXEUDWZTZSJW-UHFFFAOYSA-N</td><td></td><td></td><td>446.4</td><td></td><td></td><td></td><td>InChI=1S/C16H14O11S2/c1-8-2-3-9(4-12(8)26-28(19,20)21)13-7-11(18)16-14(25-13)5-10(17)6-15(16)27-29(22,23)24/h2-6,13,17H,7H2,1H3,(H,19,20,21)(H,22,23,24)</td><td>CC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002820">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2879"><td></td><td><a href="/entries/PHUB002821">Hesperetin-3â,5,7-tri-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002821</td><td>2879</td><td>525.954568653</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>14</sub>S<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002821/image.svg" src="" /></td><td>IXQMVGMWVLYKMK-UHFFFAOYSA-N</td><td></td><td></td><td>526.45</td><td></td><td></td><td></td><td>InChI=1S/C16H14O14S3/c1-8-2-3-9(4-12(8)29-32(21,22)23)13-7-11(17)16-14(27-13)5-10(28-31(18,19)20)6-15(16)30-33(24,25)26/h2-6,13H,7H2,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)</td><td>CC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(OS(O)(=O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002821">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2880"><td></td><td><a href="/entries/PHUB002822">Hesperetin-3â,5,7-tri-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002822</td><td>2880</td><td>814.180387484</td><td>C<sub>34</sub>H<sub>38</sub>O<sub>23</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002822/image.svg" src="" /></td><td>SEKRHOZRRKALER-ADDOSRJASA-N</td><td></td><td></td><td>814.655</td><td></td><td></td><td></td><td>InChI=1S/C34H38O23/c1-8-2-3-9(4-12(8)53-33-24(43)18(37)21(40)27(56-33)30(47)48)13-7-11(35)16-14(52-13)5-10(51-32-23(42)17(36)20(39)26(55-32)29(45)46)6-15(16)54-34-25(44)19(38)22(41)28(57-34)31(49)50/h2-6,13,17-28,32-34,36-44H,7H2,1H3,(H,45,46)(H,47,48)(H,49,50)/t13?,17-,18+,19-,20-,21+,22-,23+,24-,25+,26-,27+,28-,32+,33-,34+/m0/s1</td><td>CC1=CC=C(C=C1O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C1CC(=O)C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002822">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2881"><td></td><td><a href="/entries/PHUB002823">Hesperetin-3â,7-di-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002823</td><td>2881</td><td>445.997753619</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>11</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002823/image.svg" src="" /></td><td>TZNFIZDVHGYHGH-UHFFFAOYSA-N</td><td></td><td></td><td>446.4</td><td></td><td></td><td></td><td>InChI=1S/C16H14O11S2/c1-8-2-3-9(4-13(8)27-29(22,23)24)14-7-12(18)16-11(17)5-10(6-15(16)25-14)26-28(19,20)21/h2-6,14,17H,7H2,1H3,(H,19,20,21)(H,22,23,24)</td><td>CC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002823">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2882"><td></td><td><a href="/entries/PHUB002824">Hesperetin-3â-glucuronide-5,7-di-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002824</td><td>2882</td><td>622.029841596</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>17</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002824/image.svg" src="" /></td><td>SUZCOIYEOIZTKW-JBWIZFFSSA-N</td><td></td><td></td><td>622.52</td><td></td><td></td><td></td><td>InChI=1S/C22H22O17S2/c1-8-2-3-9(4-12(8)36-22-19(26)17(24)18(25)20(37-22)21(27)28)13-7-11(23)16-14(35-13)5-10(38-40(29,30)31)6-15(16)39-41(32,33)34/h2-6,13,17-20,22,24-26H,7H2,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t13?,17-,18-,19+,20-,22?/m1/s1</td><td>CC1=CC=C(C=C1OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(OS(O)(=O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002824">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2883"><td></td><td><a href="/entries/PHUB002825">Hesperetin-3â-glucuronide-5-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002825</td><td>2883</td><td>542.073026562</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002825/image.svg" src="" /></td><td>AKBUUCKCYQCEFS-JBWIZFFSSA-N</td><td></td><td></td><td>542.46</td><td></td><td></td><td></td><td>InChI=1S/C22H22O14S/c1-8-2-3-9(4-12(8)34-22-19(27)17(25)18(26)20(35-22)21(28)29)13-7-11(24)16-14(33-13)5-10(23)6-15(16)36-37(30,31)32/h2-6,13,17-20,22-23,25-27H,7H2,1H3,(H,28,29)(H,30,31,32)/t13?,17-,18-,19+,20-,22?/m1/s1</td><td>CC1=CC=C(C=C1OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002825">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2884"><td></td><td><a href="/entries/PHUB002826">Hesperetin-3â-glucuronide-7-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002826</td><td>2884</td><td>542.073026562</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002826/image.svg" src="" /></td><td>FDMZWCXXIROTMT-IDMAATAVSA-N</td><td></td><td></td><td>542.46</td><td></td><td></td><td></td><td>InChI=1S/C22H22O14S/c1-8-2-3-9(4-13(8)34-22-19(27)17(25)18(26)20(35-22)21(28)29)14-7-12(24)16-11(23)5-10(6-15(16)33-14)36-37(30,31)32/h2-6,14,17-20,22-23,25-27H,7H2,1H3,(H,28,29)(H,30,31,32)/t14?,17-,18-,19+,20-,22?/m1/s1</td><td>CC1=CC=C(C=C1OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C1CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002826">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2885"><td></td><td><a href="/entries/PHUB002827">Hesperetin-3â-sulfate-5,7-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002827</td><td>2885</td><td>718.10511454</td><td>C<sub>28</sub>H<sub>30</sub>O<sub>20</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002827/image.svg" src="" /></td><td>QVXDPKWIHYOFAY-HXPBIGRZSA-N</td><td></td><td></td><td>718.59</td><td></td><td></td><td></td><td>InChI=1S/C28H30O20S/c1-8-2-3-9(4-12(8)48-49(40,41)42)13-7-11(29)16-14(44-13)5-10(43-27-21(34)17(30)19(32)23(46-27)25(36)37)6-15(16)45-28-22(35)18(31)20(33)24(47-28)26(38)39/h2-6,13,17-24,27-28,30-35H,7H2,1H3,(H,36,37)(H,38,39)(H,40,41,42)/t13?,17-,18-,19-,20-,21+,22+,23-,24-,27+,28+/m0/s1</td><td>CC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002827">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2886"><td></td><td><a href="/entries/PHUB002828">Hesperetin-5,7-di-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002828</td><td>2886</td><td>445.997753619</td><td>C<sub>16</sub>H<sub>14</sub>O<sub>11</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002828/image.svg" src="" /></td><td>GUIRPCWHIHBJOV-UHFFFAOYSA-N</td><td></td><td></td><td>446.4</td><td></td><td></td><td></td><td>InChI=1S/C16H14O11S2/c1-8-2-3-9(4-11(8)17)13-7-12(18)16-14(25-13)5-10(26-28(19,20)21)6-15(16)27-29(22,23)24/h2-6,13,17H,7H2,1H3,(H,19,20,21)(H,22,23,24)</td><td>CC1=CC=C(C=C1O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(OS(O)(=O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002828">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2887"><td></td><td><a href="/entries/PHUB002829">S-Sinapyl-L-cysteine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002829</td><td>2887</td><td>313.09839389</td><td>C<sub>14</sub>H<sub>19</sub>NO<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-amino-3-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-yl]sulfanyl}propanoic acid</td><td class="structure"><img data-src="/structures/PHUB002829/image.svg" src="" /></td><td>XJBBOFRVLANYNM-ONEGZZNKNA-N</td><td></td><td></td><td>313.37</td><td></td><td></td><td></td><td>InChI=1/C14H19NO5S/c1-19-11-6-9(7-12(20-2)13(11)16)4-3-5-21-8-10(15)14(17)18/h3-4,6-7,10,16H,5,8,15H2,1-2H3,(H,17,18)/b4-3+</td><td>COC1=CC(\C=C\CSCC(N)C(O)=O)=CC(OC)=C1O</td><td></td><td></td><td><a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/420">pineapple juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002829">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2888"><td></td><td><a href="/entries/PHUB002830">Hesperetin-5-glucuronide-3â,7-di-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002830</td><td>2888</td><td>622.029841596</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>17</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002830/image.svg" src="" /></td><td>NDLJAQVZPYXIJQ-WDXLFLMVSA-N</td><td></td><td></td><td>622.52</td><td></td><td></td><td></td><td>InChI=1S/C22H22O17S2/c1-8-2-3-9(4-12(8)39-41(32,33)34)13-7-11(23)16-14(35-13)5-10(38-40(29,30)31)6-15(16)36-22-19(26)17(24)18(25)20(37-22)21(27)28/h2-6,13,17-20,22,24-26H,7H2,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t13?,17-,18-,19+,20-,22+/m0/s1</td><td>CC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(OS(O)(=O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002830">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2889"><td></td><td><a href="/entries/PHUB002831">Hesperetin-5-glucuronide-3â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002831</td><td>2889</td><td>542.073026562</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002831/image.svg" src="" /></td><td>FVTQAIOOOWAOCM-WDXLFLMVSA-N</td><td></td><td></td><td>542.46</td><td></td><td></td><td></td><td>InChI=1S/C22H22O14S/c1-8-2-3-9(4-12(8)36-37(30,31)32)13-7-11(24)16-14(33-13)5-10(23)6-15(16)34-22-19(27)17(25)18(26)20(35-22)21(28)29/h2-6,13,17-20,22-23,25-27H,7H2,1H3,(H,28,29)(H,30,31,32)/t13?,17-,18-,19+,20-,22+/m0/s1</td><td>CC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002831">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2890"><td></td><td><a href="/entries/PHUB002832">Hesperetin-5-glucuronide-7-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002832</td><td>2890</td><td>542.073026562</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002832/image.svg" src="" /></td><td>FGDIXWPDQZYLHG-WDXLFLMVSA-N</td><td></td><td></td><td>542.46</td><td></td><td></td><td></td><td>InChI=1S/C22H22O14S/c1-8-2-3-9(4-11(8)23)13-7-12(24)16-14(33-13)5-10(36-37(30,31)32)6-15(16)34-22-19(27)17(25)18(26)20(35-22)21(28)29/h2-6,13,17-20,22-23,25-27H,7H2,1H3,(H,28,29)(H,30,31,32)/t13?,17-,18-,19+,20-,22+/m0/s1</td><td>CC1=CC=C(C=C1O)C1CC(=O)C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(OS(O)(=O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002832">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2891"><td></td><td><a href="/entries/PHUB002833">Hesperetin-5-sulfate-3â,7-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002833</td><td>2891</td><td>718.10511454</td><td>C<sub>28</sub>H<sub>30</sub>O<sub>20</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002833/image.svg" src="" /></td><td>WQXHDTKMQDXCAL-SUTMIYKDSA-N</td><td></td><td></td><td>718.59</td><td></td><td></td><td></td><td>InChI=1S/C28H30O20S/c1-8-2-3-9(4-12(8)45-28-22(35)18(31)20(33)24(47-28)26(38)39)13-7-11(29)16-14(44-13)5-10(6-15(16)48-49(40,41)42)43-27-21(34)17(30)19(32)23(46-27)25(36)37/h2-6,13,17-24,27-28,30-35H,7H2,1H3,(H,36,37)(H,38,39)(H,40,41,42)/t13?,17-,18+,19-,20+,21+,22-,23-,24+,27+,28-/m0/s1</td><td>CC1=CC=C(C=C1O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002833">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2892"><td></td><td><a href="/entries/PHUB002834">Hesperetin-7-glucuronide-3â,5-di-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002834</td><td>2892</td><td>622.029841596</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>17</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002834/image.svg" src="" /></td><td>XJIZTNNXHZJXBF-WDXLFLMVSA-N</td><td></td><td></td><td>622.52</td><td></td><td></td><td></td><td>InChI=1S/C22H22O17S2/c1-8-2-3-9(4-12(8)38-40(29,30)31)13-7-11(23)16-14(36-13)5-10(6-15(16)39-41(32,33)34)35-22-19(26)17(24)18(25)20(37-22)21(27)28/h2-6,13,17-20,22,24-26H,7H2,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t13?,17-,18-,19+,20-,22+/m0/s1</td><td>CC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002834">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2893"><td></td><td><a href="/entries/PHUB002835">Hesperetin-7-glucuronide-3â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002835</td><td>2893</td><td>542.073026562</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002835/image.svg" src="" /></td><td>UVTDRELAGRFYDQ-PLEVBHNASA-N</td><td></td><td></td><td>542.46</td><td></td><td></td><td></td><td>InChI=1S/C22H22O14S/c1-8-2-3-9(4-13(8)36-37(30,31)32)14-7-12(24)16-11(23)5-10(6-15(16)34-14)33-22-19(27)17(25)18(26)20(35-22)21(28)29/h2-6,14,17-20,22-23,25-27H,7H2,1H3,(H,28,29)(H,30,31,32)/t14?,17-,18-,19+,20-,22+/m0/s1</td><td>CC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002835">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2894"><td></td><td><a href="/entries/PHUB002836">Hesperetin-7-glucuronide-5-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002836</td><td>2894</td><td>542.073026562</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>14</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002836/image.svg" src="" /></td><td>SUDFOFYXQLISNO-WDXLFLMVSA-N</td><td></td><td></td><td>542.46</td><td></td><td></td><td></td><td>InChI=1S/C22H22O14S/c1-8-2-3-9(4-11(8)23)13-7-12(24)16-14(34-13)5-10(6-15(16)36-37(30,31)32)33-22-19(27)17(25)18(26)20(35-22)21(28)29/h2-6,13,17-20,22-23,25-27H,7H2,1H3,(H,28,29)(H,30,31,32)/t13?,17-,18-,19+,20-,22+/m0/s1</td><td>CC1=CC=C(C=C1O)C1CC(=O)C2=C(OS(O)(=O)=O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002836">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2895"><td></td><td><a href="/entries/PHUB002837">Hesperetin-7-sulfate-3â,5-diglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002837</td><td>2895</td><td>718.10511454</td><td>C<sub>28</sub>H<sub>30</sub>O<sub>20</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavanones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002837/image.svg" src="" /></td><td>ZEXFKMNXAMNXTA-PCXGXATFSA-N</td><td></td><td></td><td>718.59</td><td></td><td></td><td></td><td>InChI=1S/C28H30O20S/c1-8-2-3-9(4-12(8)44-27-21(34)17(30)19(32)23(46-27)25(36)37)13-7-11(29)16-14(43-13)5-10(48-49(40,41)42)6-15(16)45-28-22(35)18(31)20(33)24(47-28)26(38)39/h2-6,13,17-24,27-28,30-35H,7H2,1H3,(H,36,37)(H,38,39)(H,40,41,42)/t13?,17-,18+,19-,20+,21+,22-,23-,24+,27+,28-/m1/s1</td><td>CC1=CC=C(C=C1O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)C1CC(=O)C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(OS(O)(=O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002837">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2896"><td></td><td><a href="/entries/PHUB002838">Hippuric acid-3â-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002838</td><td>2896</td><td>371.085245751</td><td>C<sub>15</sub>H<sub>17</sub>NO<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002838/image.svg" src="" /></td><td>ZUDMDITVRYGREL-YHRMJZTLNA-N</td><td></td><td></td><td>371.298</td><td></td><td></td><td></td><td>InChI=1/C15H17NO10/c17-8(18)5-16-13(22)6-2-1-3-7(4-6)25-15-11(21)9(19)10(20)12(26-15)14(23)24/h1-4,9-12,15,19-21H,5H2,(H,16,22)(H,17,18)(H,23,24)/t9-,10-,11+,12-,15+/s2</td><td>O[C@H]1[C@H](O)[C@@H](OC2=CC(=CC=C2)C(=O)NCC(O)=O)O[C@H]([C@@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002838">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2897"><td></td><td><a href="/entries/PHUB002839">Hippuric acid-3â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002839</td><td>2897</td><td>275.009972808</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002839/image.svg" src="" /></td><td>SBLCKJXUMHOIBU-UHFFFAOYSA-N</td><td></td><td></td><td>275.23</td><td></td><td></td><td></td><td>InChI=1S/C9H9NO7S/c11-8(12)5-10-9(13)6-2-1-3-7(4-6)17-18(14,15)16/h1-4H,5H2,(H,10,13)(H,11,12)(H,14,15,16)</td><td>OC(=O)CNC(=O)C1=CC=CC(OS(O)(=O)=O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002839">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2898"><td></td><td><a href="/entries/PHUB002840">Hippuric acid-4â-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002840</td><td>2898</td><td>371.085245751</td><td>C<sub>15</sub>H<sub>17</sub>NO<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002840/image.svg" src="" /></td><td>LMLVLKAHMMYVIO-YHRMJZTLNA-N</td><td></td><td></td><td>371.298</td><td></td><td></td><td></td><td>InChI=1/C15H17NO10/c17-8(18)5-16-13(22)6-1-3-7(4-2-6)25-15-11(21)9(19)10(20)12(26-15)14(23)24/h1-4,9-12,15,19-21H,5H2,(H,16,22)(H,17,18)(H,23,24)/t9-,10-,11+,12-,15+/s2</td><td>O[C@H]1[C@H](O)[C@@H](OC2=CC=C(C=C2)C(=O)NCC(O)=O)O[C@H]([C@@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002840">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2899"><td></td><td><a href="/entries/PHUB002841">Hippuric acid-4â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002841</td><td>2899</td><td>275.009972808</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002841/image.svg" src="" /></td><td>LNRQNKYUPKHWHZ-UHFFFAOYSA-N</td><td></td><td></td><td>275.23</td><td></td><td></td><td></td><td>InChI=1S/C9H9NO7S/c11-8(12)5-10-9(13)6-1-3-7(4-2-6)17-18(14,15)16/h1-4H,5H2,(H,10,13)(H,11,12)(H,14,15,16)</td><td>OC(=O)CNC(=O)C1=CC=C(OS(O)(=O)=O)C=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002841">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2900"><td></td><td><a href="/entries/PHUB002842">Phenylacetic acid-3â,4â-di-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002842</td><td>2900</td><td>327.955888806</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>10</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002842/image.svg" src="" /></td><td>CSVJXGGAYRYCRL-UHFFFAOYSA-N</td><td></td><td></td><td>328.26</td><td></td><td></td><td></td><td>InChI=1S/C8H8O10S2/c9-8(10)4-5-1-2-6(17-19(11,12)13)7(3-5)18-20(14,15)16/h1-3H,4H2,(H,9,10)(H,11,12,13)(H,14,15,16)</td><td>OC(=O)CC1=CC=C(OS(O)(=O)=O)C(OS(O)(=O)=O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002842">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2901"><td></td><td><a href="/entries/PHUB002843">Phenylacetic acid-3â,4â-di-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002843</td><td>2901</td><td>520.106434693</td><td>C<sub>20</sub>H<sub>24</sub>O<sub>16</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002843/image.svg" src="" /></td><td>AUSAFWQSNFMWMP-GCEXUTRLNA-N</td><td></td><td></td><td>520.396</td><td></td><td></td><td></td><td>InChI=1/C20H24O16/c21-8(22)4-5-1-2-6(33-19-13(27)9(23)11(25)15(35-19)17(29)30)7(3-5)34-20-14(28)10(24)12(26)16(36-20)18(31)32/h1-3,9-16,19-20,23-28H,4H2,(H,21,22)(H,29,30)(H,31,32)/t9-,10+,11-,12+,13+,14-,15-,16+,19?,20?/s2</td><td>O[C@@H]1[C@@H](O)C(OC2=CC=C(CC(O)=O)C=C2OC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002843">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2902"><td></td><td><a href="/entries/PHUB002844">Phenylacetic acid-3â-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002844</td><td>2902</td><td>328.079432095</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002844/image.svg" src="" /></td><td>UJBQYMIQTYWRFA-XALMADRXNA-N</td><td></td><td></td><td>328.273</td><td></td><td></td><td></td><td>InChI=1/C14H16O9/c15-8(16)5-6-2-1-3-7(4-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14,17-19H,5H2,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14?/s2</td><td>O[C@H]1[C@H](O)C(OC2=CC(CC(O)=O)=CC=C2)O[C@H]([C@@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002844">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2903"><td></td><td><a href="/entries/PHUB002845">Phenylacetic acid-3â-glucuronide-4â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002845</td><td>2903</td><td>424.031161749</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002845/image.svg" src="" /></td><td>GJZKUQYIJJLDOB-XALMADRXNA-N</td><td></td><td></td><td>424.33</td><td></td><td></td><td></td><td>InChI=1/C14H16O13S/c15-8(16)4-5-1-2-6(27-28(22,23)24)7(3-5)25-14-11(19)9(17)10(18)12(26-14)13(20)21/h1-3,9-12,14,17-19H,4H2,(H,15,16)(H,20,21)(H,22,23,24)/t9-,10-,11+,12-,14?/s2</td><td>O[C@H]1[C@H](O)C(OC2=CC(CC(O)=O)=CC=C2OS(O)(=O)=O)O[C@H]([C@@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002845">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2904"><td></td><td><a href="/entries/PHUB002846">
8Phenylacetic acid-3â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002846</td><td>2904</td><td>232.004159152</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002846/image.svg" src="" /></td><td>VBCLPDSIELLWDI-UHFFFAOYSA-N</td><td></td><td></td><td>232.21</td><td></td><td></td><td></td><td>InChI=1S/C8H8O6S/c9-8(10)5-6-2-1-3-7(4-6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)</td><td>OC(=O)CC1=CC=CC(OS(O)(=O)=O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002846">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2905"><td></td><td><a href="/entries/PHUB002847">Phenylacetic acid-3â-sulfate-4â-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002847</td><td>2905</td><td>424.031161749</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>13</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002847/image.svg" src="" /></td><td>YEMBPJGQQITTCW-HVOVEWBRNA-N</td><td></td><td></td><td>424.33</td><td></td><td></td><td></td><td>InChI=1/C14H16O13S/c15-8(16)4-5-1-2-6(7(3-5)27-28(22,23)24)25-14-11(19)9(17)10(18)12(26-14)13(20)21/h1-3,9-12,14,17-19H,4H2,(H,15,16)(H,20,21)(H,22,23,24)/t9-,10-,11+,12-,14+/s2</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(CC(O)=O)C=C2OS(O)(=O)=O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002847">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2906"><td></td><td><a href="/entries/PHUB002848">Phenylacetic acid-4â-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002848</td><td>2906</td><td>328.079432095</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002848/image.svg" src="" /></td><td>DPTGYOOHBJLCOL-XALMADRXNA-N</td><td></td><td></td><td>328.273</td><td></td><td></td><td></td><td>InChI=1/C14H16O9/c15-8(16)5-6-1-3-7(4-2-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14,17-19H,5H2,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14?/s2</td><td>O[C@H]1[C@H](O)C(OC2=CC=C(CC(O)=O)C=C2)O[C@H]([C@@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002848">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2907"><td></td><td><a href="/entries/PHUB002849">Phenylacetic acid-4â-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002849</td><td>2907</td><td>247.999073772</td><td>C<sub>8</sub>H<sub>8</sub>O<sub>7</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002849/image.svg" src="" /></td><td>ZQTJTTSZJNFQGJ-UHFFFAOYSA-N</td><td></td><td></td><td>248.21</td><td></td><td></td><td></td><td>InChI=1S/C8H8O7S/c9-6-3-5(4-8(10)11)1-2-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)</td><td>OC(=O)CC1=CC=C(OS(O)(=O)=O)C(O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002849">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2908"><td></td><td><a href="/entries/PHUB002850">S-Sinapylglutathione</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002850</td><td>2908</td><td>499.1624507</td><td>C<sub>21</sub>H<sub>29</sub>N<sub>3</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002850/image.svg" src="" /></td><td>HLZFIHFPAUUHBI-ONEGZZNKNA-N</td><td></td><td></td><td>499.54</td><td></td><td></td><td></td><td>InChI=1/C21H29N3O9S/c1-32-15-8-12(9-16(33-2)19(15)28)4-3-7-34-11-14(20(29)23-10-18(26)27)24-17(25)6-5-13(22)21(30)31/h3-4,8-9,13-14,28H,5-7,10-11,22H2,1-2H3,(H,23,29)(H,24,25)(H,26,27)(H,30,31)/b4-3+</td><td>COC1=CC(\C=C\CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)=CC(OC)=C1O</td><td></td><td></td><td><a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/420">pineapple juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002850">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2909"><td></td><td><a href="/entries/PHUB002851">N-L-Glutamyl-S-sinapyl-L-cysteine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002851</td><td>2909</td><td>442.140986979</td><td>C<sub>19</sub>H<sub>26</sub>N<sub>2</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002851/image.svg" src="" /></td><td>GPHRGVHMPPBSFE-ONEGZZNKNA-N</td><td></td><td></td><td>442.48</td><td></td><td></td><td></td><td>InChI=1/C19H26N2O8S/c1-28-14-8-11(9-15(29-2)17(14)23)4-3-7-30-10-13(19(26)27)21-16(22)6-5-12(20)18(24)25/h3-4,8-9,12-13,23H,5-7,10,20H2,1-2H3,(H,21,22)(H,24,25)(H,26,27)/b4-3+</td><td>COC1=CC(\C=C\CSCC(NC(=O)CCC(N)C(O)=O)C(O)=O)=CC(OC)=C1O</td><td></td><td></td><td><a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/420">pineapple juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002851">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2910"><td></td><td><a href="/entries/PHUB002852">3â-hydroxyphenyl-acetic acid- 4â-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002852</td><td>2910</td><td>344.074346715</td><td>C<sub>14</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylacetic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002852/image.svg" src="" /></td><td>SOKKQMPCIJPSGH-HVOVEWBRNA-N</td><td></td><td></td><td>344.272</td><td></td><td></td><td></td><td>InChI=1/C14H16O10/c15-6-3-5(4-8(16)17)1-2-7(6)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14-15,18-20H,4H2,(H,16,17)(H,21,22)/t9-,10-,11+,12-,14+/s2</td><td>O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=C(CC(O)=O)C=C2)O[C@H]([C@@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002852">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2911"><td></td><td><a href="/entries/PHUB002853">p-Coumaric acid glycerol ester</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002853</td><td>2911</td><td>238.084123551</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>5</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002853/image.svg" src="" /></td><td>YUQSZTOOHLGKGG-ZZXKWVIFNA-N</td><td></td><td></td><td>238.239</td><td></td><td></td><td></td><td>InChI=1/C12H14O5/c13-7-11(15)8-17-12(16)6-3-9-1-4-10(14)5-2-9/h1-6,11,13-15H,7-8H2/b6-3+</td><td>OCC(O)COC(=O)\C=C\C1=CC=C(O)C=C1</td><td></td><td></td><td><a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/420">pineapple juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002853">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2912"><td></td><td><a href="/entries/PHUB002854">Caffeic acid glycerol ester</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002854</td><td>2912</td><td>254.079038171</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Phenolic acids</td><td>Hydroxycinnamic acids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Caffeoyl-glycerol</td><td class="structure"><img data-src="/structures/PHUB002854/image.svg" src="" /></td><td>NOHROAYVCRHDHO-DUXPYHPUNA-N</td><td></td><td>2,3-dihydroxypropyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate</td><td>254.238</td><td></td><td></td><td></td><td>InChI=1/C12H14O6/c13-6-9(14)7-18-12(17)4-2-8-1-3-10(15)11(16)5-8/h1-5,9,13-16H,6-7H2/b4-2+</td><td>OCC(O)COC(=O)\C=C\C1=CC(O)=C(O)C=C1</td><td>-2.9686917101118624</td><td>9.208618599479463</td><td><a href="/food_sources/118">Pineapple</a> / <a href="/food_sources/420">pineapple juice</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002854">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2913"><td></td><td><a href="/entries/PHUB002855">Viridiflorol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002855</td><td>2913</td><td>222.198365457</td><td>C<sub>15</sub>H<sub>26</sub>
8O</td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002855/image.svg" src="" /></td><td>AYXPYQRXGNDJFU-IMNVLQEYSA-N</td><td>552-02-3</td><td></td><td>222.372</td><td></td><td></td><td></td><td>InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15+/m1/s1</td><td>[H][C@@]12CC[C@](C)(O)[C@@]3([H])CC[C@@H](C)[C@@]3([H])[C@]1([H])C2(C)C</td><td></td><td></td><td><a href="/food_sources/116">Peppermint</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002855">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2914"><td></td><td><a href="/entries/PHUB002856">Benzenepropanenitrile</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002856</td><td>2914</td><td>131.073499294</td><td>C<sub>9</sub>H<sub>9</sub>N</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-Phenylpropionitrile</td><td class="structure"><img data-src="/structures/PHUB002856/image.svg" src="" /></td><td>ACRWYXSKEHUQDB-UHFFFAOYSA-N</td><td>645-59-0</td><td></td><td>131.178</td><td></td><td></td><td></td><td>InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2</td><td>N#CCCC1=CC=CC=C1</td><td></td><td></td><td><a href="/food_sources/286">Watercress</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002856">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2915"><td></td><td><a href="/entries/PHUB002857">8-Methylthiooctanenitrile</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002857</td><td>2915</td><td>171.108170725</td><td>C<sub>9</sub>H<sub>17</sub>NS</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>8-(Methylthio)octanenitrile; 8-Methylsulfanyloctanenitrile</td><td class="structure"><img data-src="/structures/PHUB002857/image.svg" src="" /></td><td>BWZCPICNIWWLFX-UHFFFAOYSA-N</td><td>58214-93-0</td><td></td><td>171.3</td><td></td><td></td><td></td><td>InChI=1S/C9H17NS/c1-11-9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3</td><td>CSCCCCCCCC#N</td><td></td><td></td><td><a href="/food_sources/286">Watercress</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002857">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2916"><td></td><td><a href="/entries/PHUB002858">sorbic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002858</td><td>2916</td><td>112.052429498</td><td>C<sub>6</sub>H<sub>8</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(2-butenylidene) acetic acid; 1,3-Pentadiene-1-carboxylic acid; 2-propenylacrylic acid; 2,4-Hexadienoic acid</td><td class="structure"><img data-src="/structures/PHUB002858/image.svg" src="" /></td><td>WSWCOQWTEOXDQX-UHFFFAOYSA-N</td><td>22500-92-1</td><td></td><td>112.128</td><td></td><td></td><td></td><td>InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)</td><td>[H]C(C)=CC([H])=CC(O)=O</td><td></td><td></td><td><a href="/food_sources/64">European plum</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002858">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2917"><td></td><td><a href="/entries/PHUB002859">(-)-borneol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002859</td><td>2917</td><td>154.1357652</td><td>C<sub>10</sub>H<sub>18</sub>O</td><td>Terpenoids</td><td>Monoterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002859/image.svg" src="" /></td><td>DTGKSKDOIYIVQL-IUNFSSIHNA-N</td><td>464-45-9</td><td></td><td>154.253</td><td></td><td></td><td></td><td>InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/s2</td><td>CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002859">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2918"><td></td><td><a href="/entries/PHUB002860">8-Deoxylactucin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002860</td><td>2918</td><td>436.136946973</td><td>C<sub>21</sub>H<sub>24</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002860/image.svg" src="" /></td><td>CVUVAQDFJCOOPZ-UHFFFAOYNA-N</td><td></td><td></td><td>436.413</td><td></td><td></td><td></td><td>InChI=1/C21H24O10/c1-7-3-4-10-8(2)20(28)30-17(10)13-9(5-11(22)12(7)13)6-29-21-16(25)14(23)15(24)18(31-21)19(26)27/h5,10,13-18,21,23-25H,2-4,6H2,1H3,(H,26,27)</td><td>CC1=C2C(C3OC(=O)C(=C)C3CC1)C(COC1OC(C(O)C(O)C1O)C(O)=O)=CC2=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000116">Deoxylactucin (8-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002860">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2919"><td></td><td><a href="/entries/PHUB002861">Gnetin L</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002861</td><td>2919</td><td>484.152203113</td><td>C<sub>29</sub>H<sub>24</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Stilbenes</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002861/image.svg" src="" /></td><td>BLLYIIGCMMXIEN-UHFFFAOYNA-N</td><td></td><td></td><td>484.504</td><td></td><td></td><td></td><td>InChI=1/C29H24O7/c1-35-24-13-19(12-23(33)15-24)29-27(18-10-21(31)14-22(32)11-18)28-25(34)8-1
87(9-26(28)36-29)3-2-16-4-6-20(30)7-5-16/h2-15,27,29-34H,1H3</td><td>COC1=CC(=CC(O)=C1)C1OC2=CC(C=CC3=CC=C(O)C=C3)=CC(O)=C2C1C1=CC(O)=CC(O)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002861">Gnetin L</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002861">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2920"><td></td><td><a href="/entries/PHUB002862">Gnetin C glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002862</td><td>2920</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Stilbene metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002862/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001574">Gnetin C</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002862">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2921"><td></td><td><a href="/entries/PHUB002863">8-Deoxylactucin 15-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002863</td><td>2921</td><td>340.061674029</td><td>C<sub>15</sub>H<sub>16</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002863/image.svg" src="" /></td><td>QHNIIDCKKSETDB-UHFFFAOYNA-N</td><td></td><td></td><td>340.35</td><td></td><td></td><td></td><td>InChI=1/C15H16O7S/c1-7-3-4-10-8(2)15(17)22-14(10)13-9(5-11(16)12(7)13)6-21-23(18,19)20/h5,10,13-14H,2-4,6H2,1H3,(H,18,19,20)</td><td>CC1=C2C(C3OC(=O)C(=C)C3CC1)C(COS(O)(=O)=O)=CC2=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000116">Deoxylactucin (8-)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002863">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2922"><td></td><td><a href="/entries/PHUB002864">Sulforaphane-cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-amino-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)propanoic acid</td><td>PHUB002864</td><td>2922</td><td>298.04795597</td><td>C<sub>9</sub>H<sub>18</sub>N<sub>2</sub>O<sub>3</sub>S<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-isothiocyanato-4-(methylsulfinyl)butane-cysteine</td><td class="structure"><img data-src="/structures/PHUB002864/image.svg" src="" /></td><td>PUPMSTCTVNEOCX-UHFFFAOYSA-N</td><td>364083-21-6</td><td>2-amino-3-{[(4-methanesulfinylbutyl)carbamothioyl]sulfanyl}propanoic acid</td><td>298.43</td><td></td><td></td><td></td><td>InChI=1S/C9H18N2O3S3/c1-17(14)5-3-2-4-11-9(15)16-6-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,11,15)(H,12,13)</td><td>[H]OC(=O)C(CSC(=S)N([H])CCCCS(C)=O)N([H])[H]</td><td>8.47097607424785</td><td>2.390340710440309</td><td></td><td><a href="/entries/PHUB000821">Sulforaphane</a> / <a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000815">
8Glucoraphenin</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002864">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2923"><td></td><td><a href="/entries/PHUB002865">Sulforaphane-cysteine-glycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-[[2-amino-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)propanoyl]amino]acetic acid </td><td>PHUB002865</td><td>2923</td><td>355.06941969</td><td>C<sub>11</sub>H<sub>21</sub>N<sub>3</sub>O<sub>4</sub>S<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-isothiocyanato-4-(methylsulfinyl)butane-cysteine-glycine</td><td class="structure"><img data-src="/structures/PHUB002865/image.svg" src="" /></td><td>XXNFGCPBPYXDGU-HXNGOWOSSA-N</td><td></td><td></td><td>355.49</td><td></td><td></td><td></td><td>InChI=1S/C11H21N3O4S3/c1-21(18)5-3-2-4-13-11(19)20-7-8(12)10(17)14-6-9(15)16/h8H,2-7,12H2,1H3,(H,13,19)(H,14,17)(H,15,16)/t8-,21+/m0/s1</td><td>[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])SC(=S)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[S@](=O)C([H])([H])[H]</td><td></td><td></td><td></td><td><a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000821">Sulforaphane</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002865">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2924"><td></td><td><a href="/entries/PHUB002866">Sulforaphane-glutathione</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid</td><td>PHUB002866</td><td>2924</td><td>484.11201278</td><td>C<sub>16</sub>H<sub>28</sub>N<sub>4</sub>O<sub>7</sub>S<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1-isothiocyanato-4-(methylsulfinyl)butane-glutathione</td><td class="structure"><img data-src="/structures/PHUB002866/image.svg" src="" /></td><td>ROARKYNVUQLTDP-QGQIPBJJSA-N</td><td>289711-21-3</td><td></td><td>484.6</td><td></td><td></td><td></td><td>InChI=1S/C16H28N4O7S3/c1-30(27)7-3-2-6-18-16(28)29-9-11(14(24)19-8-13(22)23)20-12(21)5-4-10(17)15(25)26/h10-11H,2-9,17H2,1H3,(H,18,28)(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t10-,11-,30?/m0/s1</td><td>[H]OC(=O)CN([H])C(=O)[C@H](CSC(=S)N([H])CCCCS(C)=O)N([H])C(=O)CC[C@H](N([H])[H])C(=O)O[H]</td><td></td><td></td><td></td><td><a href="/entries/PHUB000821">Sulforaphane</a> / <a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000815">
8Glucoraphenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002866">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2925"><td></td><td><a href="/entries/PHUB002867">Erucin-glutathione</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002867</td><td>2925</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-methylthio methyl isothiocyanate-glutathione</td><td class="structure"><img data-src="/structures/PHUB002867/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000805">Glucoerucin</a> / <a href="/entries/PHUB000821">Sulforaphane</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002867">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2926"><td></td><td><a href="/entries/PHUB002868">Erucin-cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002868</td><td>2926</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-methylthio methyl isothiocyanate-cysteine</td><td class="structure"><img data-src="/structures/PHUB002868/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000805">Glucoerucin</a> / <a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000821">Sulforaphane</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002868">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2927"><td></td><td><a href="/entries/PHUB002869">Erucin-cysteine-glycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002869</td><td>2927</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-methylthio methyl isothiocyanate-cysteine-glycine</td><td class="structure"><img data-src="/structures/PHUB002869/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000805">Glucoerucin</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a> / <a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000821">Sulforaphane</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002869">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2928"><td></td><td><a href="/entries/PHUB002870">Erucin-N-acetyl-cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002870</td><td>2928</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-methylthio methyl isothiocyanate-N-acetylcysteine</td><td class="structure"><img data-src="/structures/PHUB002870/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000805">Glucoerucin</a> / <a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000821">Sulforaphane</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002870">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2929"><td></td><td><a href="/entries/PHUB002871">indole-3-methyl-N-acetylcysteine (IMITC-NAC)</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002871</td><td>2929</td><td>365.086783832</td><td>C<sub>16</sub>H<sub>19</sub>N<sub>3</sub>O<sub>3</sub>S<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002871/image.svg" src="" /></td><td>HPKHSMIABUGMON-UHFFFAOYNA-N</td><td></td><td></td><td>365.47</td><td></td><td></td><td></td><td>InChI=1/C16H19N3O3S2/c1-10(20)19-12(6-15(21)22)9-24-16(23)18-8-11-7-17-14-5-3-2-4-13(11)14/h2-5,7,12,17H,6,8-9H2,1H3,(H,18,23)(H,19,20)(H,21,22)</td><td>CC(=O)NC(CSC(=S)NCC1=CNC2=C1C=CC=C2)CC(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002871">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2930"><td></td><td><a href="/entries/PHUB002872">3-(Isothiocyanatomethyl)-1H-indole</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>indol-3-ylmethylisothiocyanate</td><td>PHUB002872</td><td>2930</td><td>188.04081944</td><td>C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>S</td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002872/image.svg" src="" /></td><td>IUGVJHWSHLFGAU-UHFFFAOYSA-N</td><td>77012-75-0</td><td></td><td>188.25</td><td></td><td></td><td></td><td>InChI=1S/C10H8N2S/c13-7-11-5-8-6-12-10-4-2-1-3-9(8)10/h1-4,6,12H,5H2</td><td>[H]N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])N=C=S</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002872">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2931"><td></td><td><a href="/entries/PHUB002873">Benzyl isothiocyanate-glutathione</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002873</td><td>2931</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Benzylisothiocyanate-glutathione; BITC-GSH</td><td class="structure"><img data-src="/structures/PHUB002873/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000816">Glucotropaeolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002873">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2932"><td></td><td><a href="/entries/PHUB002874">Benzyl isothiocyanate-cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002874</td><td>2932</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Benzylisothiocyanate-cysteine; BITC-Cys</td><td class="structure"><img data-src="/structures/PHUB002874/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000816">Glucotropaeolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002874">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2933"><td></td><td><a href="/entries/PHUB002875">Benzyl isothiocyanate-cysteine-glycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002875</td><td>2933</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Benzylisothiocyanate-cysteineglycine; BITC-CysGly</td><td class="structure"><img data-src="/structures/PHUB002875/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000816">Glucotropaeolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002875">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2934"><td></td><td><a href="/entries/PHUB002876">Benzyl isothiocyanate-N-acetylcysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002876</td><td>2934</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Benzylisothiocyanate-N-acetylcysteine; BITC-NAC</td><td class="structure"><img data-src="/structures/PHUB002876/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000816">Glucotropaeolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002876">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2935"><td></td><td><a href="/entries/PHUB002877">Allyl isothiocyanate-N-acetyl-L-cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002877</td><td>2935</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-isothiocyanatoprop-1-ene-N-acetylcysteine; AITC-NAC; Allyl isothiocyanate-N-acetylcysteine</td><td class="structure"><img data-src="/structures/PHUB002877/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000822">Allyl isothiocyanate</a> / <a href="/entries/PHUB000820">Sinigrin</a> / <a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002877">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2936"><td></td><td><a href="/entries/PHUB002878">Allyl isothiocyanate-glutathione</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002878</td><td>2936</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-isothiocyanatoprop-1-ene-glutathione; AITC-GSH</td><td class="structure"><img data-src="/structures/PHUB002878/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000822">Allyl isothiocyanate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002878">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2937"><td></td><td><a href="/entries/PHUB002879">Allyl isothiocyanate-cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002879</td><td>2937</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3-isothiocyanatoprop-1-ene-cysteine; AITC-Cys</td><td class="structure"><img data-src="/structures/PHUB002879/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000822">Allyl isothiocyanate</a> / <a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002879">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2938"><td></td><td><a href="/entries/PHUB002880">Allyl isothiocyanate-cysteine-glycine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002880</td><td>2938</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>3-isothiocyanatoprop-1-ene-cysteineglycine; AITC-CysGly</td><td class="structure"><img data-src="/structures/PHUB002880/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000822">Allyl isothiocyanate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002880">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2939"><td></td><td><a href="/entries/PHUB002881">Peonidin 3-caffeoyl-sophoroside-5-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002881</td><td>2939</td><td>949.260828878</td><td>C<sub>43</sub>H<sub>49</sub>O<sub>24</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002881/image.svg" src="" /></td><td>DGVPBUDMTNUREK-UHFFFAOYNA-O</td><td></td><td></td><td>949.84</td><td></td><td></td><td></td><td>InChI=1/C43H48O24/c1-59-25-9-17(4-6-21(25)48)39-26(12-19-23(61-39)10-18(46)11-24(19)62-41-37(57)34(54)31(51)27(13-44)64-41)63-43-40(67-42-38(58)35(55)32(52)28(14-45)65-42)36(56)33(53)29(66-43)15-60-30(50)7-3-16-2-5-20(47)22(49)8-16/h2-12,27-29,31-38,40-45,51-58H,13-15H2,1H3,(H3-,46,47,48,49,50)/p+1</td><td>COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)C=CC3=CC(O)=C(O)C=C3)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1</td><td></td><td></td><td></td><td><a href="/entries/PHUB002881">Peonidin 3-caffeoyl-sophoroside-5-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002881">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2940"><td></td><td><a href="/entries/PHUB002882">Cyanidin 3-O-(6â³-O-α-rhamnopyranosyl-β-glucopyranoside)</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002882</td><td>2940</td><td>595.165746718</td><td>C<sub>27</sub>H<sub>31</sub>O<sub>15</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Anthocyanins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002882/image.svg" src="" /></td><td>USNPULRDBDVJAO-YSSHIYQNSA-O</td><td></td><td></td><td>595.529</td><td></td><td></td><td></td><td>InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m1/s1</td><td>C[C@H]1O[C@H](OC[C@@H]2O[C@H](OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002882">Cyanidin 3-O-(6â³-O-α-rhamnopyranosyl-β-glucopyranoside)</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002882">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2941"><td></td><td><a href="/entries/PHUB002883">Dehydro-deoxylactucin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002883</td><td>2941</td><td></td><td>C<sub>15</sub>H<sub>14</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002883/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002883">Dehydro-deoxylactucin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002883">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2942"><td></td><td><a href="/entries/PHUB002884">Lactucopicrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002884</td><td>2942</td><td>410.136553048</td><td>C<sub>23</sub>H<sub>22</sub>O<sub>7</sub></td><td>Terpenoids</td><td>Sesquiterpenoids</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002884/image.svg" src="" /></td><td>UMVSOHBRAQTGQI-UHFFFAOYNA-N</td><td>65725-11-3</td><td></td><td>410.422</td><td></td><td></td><td></td><td>InChI=1/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3</td><td>CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002884">Lactucopicrin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002884">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2943"><td></td><td><a href="/entries/PHUB002885">Lactucopicrin-15-oxalate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002885</td><td>2943</td><td>482.121296908</td><td>C<sub>25</sub>H<sub>22</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002885/image.svg" src="" /></td><td>AUULYUITRYGGJX-UHFFFAOYNA-N</td><td>303130-75-8</td><td></td><td>482.441</td><td></td><td></td><td></td><td>InChI=1/C25H22O10/c1-11-7-17(34-18(28)8-13-3-5-15(26)6-4-13)20-12(2)24(31)35-22(20)21-14(9-16(27)19(11)21)10-33-25(32)23(29)30/h3-6,9,17,20-22,26H,2,7-8,10H2,1H3,(H,29,30)</td><td>CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)CC1=CC=C(O)C=C1)C(COC(=O)C(O)=O)=CC2=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002885">Lactucopicrin-15-oxalate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002885">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2944"><td></td><td><a href="/entries/PHUB002886">Lactucopicrin-15-oxalate glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002886</td><td>2944</td><td></td><td>C<sub>31</sub>H<sub>30</sub>O<sub>16</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002886/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002885">Lactucopicrin-15-oxalate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002886">
8Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2945"><td></td><td><a href="/entries/PHUB002887">8-Desacetylmatricarin-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002887</td><td>2945</td><td></td><td>C<sub>15</sub>H<sub>18</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Sesquiterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002887/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002887">8-Desacetylmatricarin-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002887">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2946"><td></td><td><a href="/entries/PHUB002888">Isourolithin A-9-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>9-hydroxy-urolithin-9-glucuronide</td><td>PHUB002888</td><td>2946</td><td></td><td>C<sub>19</sub>H<sub>16</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Ellagitannin metabolites</td><td>Urolithins (and ellagic acid metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002888/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000298">Ellagic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002888">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2947"><td></td><td><a href="/entries/PHUB002889">Avenacoside A</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>26-(Hexopyranosyloxy)-22,25-epoxyfurost-5-en-3-yl 6-deoxyhexopyranosyl-(1->4)-[hexopyranosyl-(1->2)]hexopyranoside</td><td>PHUB002889</td><td>2947</td><td>1062.5246889</td><td>C<sub>51</sub>H<sub>82</sub>O<sub>23</sub></td><td>Terpenoids</td><td>Triterpenoids</td><td>Saponins</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002889/image.svg" src="" /></td><td>XNKSKPFVXMYCKU-QTPGKRPGSA-N</td><td></td><td></td><td>1063.194</td><td></td><td></td><td></td><td>InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-45-39(62)35(58)32(55)21(2)66-45)41(64)42(30(18-54)70-47)71-46-40(63)37(60)34(57)29(17-53)69-46/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43+,44+,45-,46-,47+,48-,49-,50-,51-/m0/s1</td><td>[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O1)O2)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002889">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2948"><td></td><td><a href="/entries/PHUB002890">dihydroavenanthramide 2p</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002890</td><td>2948</td><td>285.100107967</td><td>C<sub>16</sub>H<sub>15</sub>NO<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Aventhramides</td><td>Dihydroavenanthramide D; Hydroxyphenyl propamidobenzoic acid</td><td class="structure"><img data-src="/structures/PHUB002890/image.svg" src="" /></td><td>DLFOKZQWYFNKCL-UHFFFAOYSA-N</td><td>697235-49-7</td><td></td><td>285.299</td><td></td><td></td><td></td><td>InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)</td><td>[H]N(C(=O)CCC1=CC=C(O)C=C1)C1=CC=CC=C1C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000571">Avenanthramide 2p</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002890">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2949"><td></td><td><a href="/entries/PHUB002891">dihydroavenanthramide 2c</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002891</td><td>2949</td><td>331.105587271</td><td>C<sub>17</sub>H<sub>17</sub>NO<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>Dihydroavenanthramide E</td><td class="structure"><img data-src="/structures/PHUB002891/image.svg" src="" /></td><td>BNXXGPDSOIGADH-UHFFFAOYSA-N</td><td>565190-59-2</td><td>5-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)propanamido]benzoic acid</td><td>331.324</td><td></td><td></td><td></td><td>InChI=1S/C17H17NO6/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)18-13-5-4-11(19)9-12(13)17(22)23/h2,4-6,8-9,19-20H,3,7H2,1H3,(H,18,21)(H,22,23)</td><td>[H]N(C(=O)CCC1=CC(OC)=C(O)C=C1)C1=CC=C(O)C=C1C(O)=O</td><td>-4.070339157998757</td><td>3.3144298733388653</td><td></td><td><a href="/entries/PHUB000569">Avenanthramide 2c</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002891">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2950"><td></td><td><a href="/entries/PHUB002892">2,4-dihydroxy-1,4-benzoxazine-3(4H)-one glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002892</td><td>2950</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Hydroxamic acid metabolites</td><td>DIBOA glucuronide</td><td class="structure"><img data-src="/structures/PHUB002892/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002293">2,4-Dihydroxy-1,4-benzoxazin-3-one</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002892">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2951"><td></td><td><a href="/entries/PHUB002893">2,4-dihydroxy-1,4-benzoxazine-3(4H)-one sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>[(2R)-4-hydroxy-3-oxo-1,4-benzoxazin-2-yl] hydrogen sulfate</td><td>PHUB002893</td><td>2951</td><td></td><td>C<sub>8</sub>H<sub>7</sub>NO<sub>7</sub>S</td><td>
8<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Hydroxamic acid metabolites</td><td>DIBOA sulfate</td><td class="structure"><img data-src="/structures/PHUB002893/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002293">2,4-Dihydroxy-1,4-benzoxazin-3-one</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002893">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2952"><td></td><td><a href="/entries/PHUB002894">5-(2-Hydroxynonadecyl)-resorcinol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-nonadec-1-enylbenzene-1,2,4-triol</td><td>PHUB002894</td><td>2952</td><td>390.31339520</td><td>C<sub>25</sub>H<sub>42</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002894/image.svg" src="" /></td><td>LIOBPIUQFBELKL-UHFFFAOYSA-N</td><td></td><td></td><td> 9390.6</td><td></td><td></td><td></td><td>InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(26)20-21-24(27)25(22)28/h18-21,26-28H,2-17H2,1H3/b19-18+</td><td>CCCCCCCCCCCCCCCCCC=CC1=C(C=CC(=C1O)O)O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002894">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2953"><td></td><td><a href="/entries/PHUB002895">5-(Nonadecenyl)-resorcinol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002895</td><td>2953</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002895/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000556">5-Nonadecylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002895">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2954"><td></td><td><a href="/entries/PHUB002896">5-(Nonadecenyl)-resorcinol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002896</td><td>2954</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002896/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000556">5-Nonadecylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002896">
9Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2955"><td></td><td><a href="/entries/PHUB002897">5-(Henei-12Z,15Z-cosadienyl)-resorcinol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002897</td><td>2955</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002897/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001688">5-Heneicosenylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002897">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2956"><td></td><td><a href="/entries/PHUB002898">5-n-docosylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-Docosylbenzene-1,3-diol</td><td>PHUB002898</td><td>2956</td><td>418.381080833</td><td>C<sub>28</sub>H<sub>50</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3-dihydroxy-5-docosylbenzene; Alkylresorcinol C22:0</td><td class="structure"><img data-src="/structures/PHUB002898/image.svg" src="" /></td><td>RIFUPWAWKWOOHF-UHFFFAOYSA-N</td><td>64645-62-1</td><td></td><td>418.7</td><td></td><td></td><td></td><td>InChI=1S/C28H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-27(29)25-28(30)24-26/h23-25,29-30H,2-22H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O</td><td></td><td></td><td><a href="/food_sources/253">Quinoa</a></td><td><a href="/entries/PHUB002898">5-n-docosylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002898">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2957"><td></td><td><a href="/entries/PHUB002899">5-(Tri-14Z,17Z-cosadienyl)-resorcinol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-(Tri-14Z,17Z-cosadienyl)-benzene-1,3-diol glucuronide</td><td>PHUB002899</td><td>2957</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002899/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000564">5-Tricosylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002899">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2958"><td></td><td><a href="/entries/PHUB002900">5-Tetracosylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-tetracosylbenzene-1,3-diol</td><td>PHUB002900</td><td>2958</td><td>446.412380961</td><td>C<sub>30</sub>H<sub>54</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3-dihydroxy-5-tetracosylbenzene; Alkylresorcinol C24:0</td><td class="structure"><img data-src="/structures/PHUB002900/image.svg" src="" /></td><td>NIHUANQNBVIFHH-UHFFFAOYSA-N</td><td></td><td></td><td>446.7</td><td></td><td></td><td></td><td>InChI=1S/C30H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-25-29(31)27-30(32)26-28/h25-27,31-32H,2-24H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O</td><td></td><td></td><td><a href="/food_sources/253">Quinoa</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002900">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2959"><td></td><td><a href="/entries/PHUB002901">5-n-Hexacosylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002901</td><td>2959</td><td>474.443681108</td><td>C<sub>32</sub>H<sub>58</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>1,3-dihydroxy-5-hexacosylbenzene; Alkylresorcinol C26:0</td><td class="structure"><img data-src="/structures/PHUB002901/image.svg" src="" /></td><td>XYAGNCWDDFILNT-UHFFFAOYSA-N</td><td></td><td>5-hexacosylbenzene-1,3-diol</td><td>474.814</td><td></td><td></td><td></td><td>InChI=1S/C32H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-27-31(33)29-32(34)28-30/h27-29,33-34H,2-26H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td><a href="/food_sources/253">Quinoa</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002901">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2960"><td></td><td><a href="/entries/PHUB002902">3,5-Dihydroxybenzoic acid sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-hydroxy-5-sulfooxybenzoic acid</td><td>PHUB002902</td><td>2960</td><td>233.983423707</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002902/image.svg" src="" /></td><td>NDZHPENMJGDGPX-UHFFFAOYSA-N</td><td>2169090-42-8</td><td></td><td>234.18</td><td></td><td></td><td></td><td>InChI=1S/C7H6O7S/c8-5-1-4(7(9)10)2-6(3-5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)</td><td>C1=C(C=C(C=C1O)OS(=O)(=O)O)C(=O)O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002977">3,5-Dihydroxybenzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002902">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2961"><td></td><td><a href="/entries/PHUB002903">5-Carboxyresorcinol 3-O-beta-D-Glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(2S,3S,4S,5R,6S)-6-(3-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>PHUB002903</td><td>2961</td><td>330.05869664</td><td>C<sub>13</sub>H<sub>14</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002903/image.svg" src="" /></td><td>LEONNYUSLXUBTI-CDHFTJPESA-N</td><td></td><td></td><td>330.24</td><td></td><td></td><td></td><td>InChI=1S/C13H14O10/c14-5-1-4(11(18)19)2-6(3-5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10-,13+/m0/s1</td><td>C1=C(C=C(C=C1O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C(=O)O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002903">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2962"><td></td><td><a href="/entries/PHUB002904">3,5-dihydroxybenzoic glycine sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002904</td><td>2962</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002904/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002977">3,5-Dihydroxybenzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002904">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2963"><td></td><td><a href="/entries/PHUB002905">3,5-dihydroxyphenylethanol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1-(3,5-dihydroxyphenyl)ethyl hydrogen glucuronide</td><td>PHUB002905</td><td>2963</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002905/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001381">3-(3,5-Dihydroxyphenyl)propanoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002905">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2964"><td></td><td><a href="/entries/PHUB002906">3,5-dihydroxyphenylethanol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1-(3,5-dihydroxyphenyl)ethyl hydrogen sulfate</td><td>PHUB002906</td><td>2964</td><td>234.01980921</td><td>C<sub>8</sub>H<sub>10</sub>O<sub>6</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002906/image.svg" src="" /></td><td>XNDWVDBWTFTAHQ-UHFFFAOYSA-N</td><td></td><td>[1-(3,5-dihydroxyphenyl)ethoxy]sulfonic acid</td><td>234.23</td><td></td><td></td><td></td><td>InChI=1S/C8H10O6S/c1-5(14-15(11,12)13)6-2-7(9)4-8(10)3-6/h2-5,9-10H,1H3,(H,11,12,13)</td><td>CC(C1=CC(=CC(=C1)O)O)OS(=O)(=O)O</td><td>-5.677619193678538</td><td>-2.093448996073329</td><td></td><td>
9<a href="/entries/PHUB001381">3-(3,5-Dihydroxyphenyl)propanoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002906">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2965"><td></td><td><a href="/entries/PHUB002907">3,5-Dihydroxyphenylpropanoic glutamine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002907</td><td>2965</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002907/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002977">3,5-Dihydroxybenzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002907">
9Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2966"><td></td><td><a href="/entries/PHUB002908">3,5-dihydroxycinnamic amide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-(3,5-dihydroxyphenyl)prop-2-enamide</td><td>PHUB002908</td><td>2966</td><td>179.058243149</td><td>C<sub>9</sub>H<sub>9</sub>NO<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002908/image.svg" src="" /></td><td>MYUSTUHJGDUZSS-UHFFFAOYSA-N</td><td></td><td></td><td>179.17</td><td></td><td></td><td></td><td>InChI=1S/C9H9NO3/c10-9(13)2-1-6-3-7(11)5-8(12)4-6/h1-5,11-12H,(H2,10,13)</td><td>C1=C(C=C(C=C1O)O)C=CC(=O)N</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002908">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2967"><td></td><td><a href="/entries/PHUB002909">3,5-dihydroxycinnamic sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>(E)-3-(3-hydroxy-5-sulfooxyphenyl)prop-2-enoic acid</td><td>PHUB002909</td><td>2967</td><td>259.99907376</td><td>C<sub>9</sub>H<sub>8</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Cinnamic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB002909/image.svg" src="" /></td><td>KTPBHOMURDURSV-OWOJBTEDSA-N</td><td></td><td>(2E)-3-[3-hydroxy-5-(sulfooxy)phenyl]prop-2-enoic acid</td><td>260.22</td><td></td><td></td><td></td><td>InChI=1S/C9H8O7S/c10-7-3-6(1-2-9(11)12)4-8(5-7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b2-1+</td><td>
9C1=C(C=C(C=C1O)OS(=O)(=O)O)C=CC(=O)O</td><td>-6.043202307709446</td><td>-2.3083622678345086</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002909">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2968"><td></td><td><a href="/entries/PHUB002910">5-(3,5-dihydroxyphenyl)pentanoic sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-[3-hydroxy-5-(sulfooxy)phenyl]pentanoic acid</td><td>PHUB002910</td><td>2968</td><td>290.046023965</td><td>C<sub>11</sub>H<sub>14</sub>O<sub>7</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3,5-Dihydroxyphenylvalerate sulfate; 3,5-Dihydroxyphenylvaleric acid sulfuric acid; 5-[3-Hydroxy-5-(sulphooxy)phenyl]pentanoic acid</td><td class="structure"><img data-src="/structures/PHUB002910/image.svg" src="" /></td><td>GXGQOCNOANVHKV-UHFFFAOYSA-N</td><td></td><td></td><td>290.29</td><td></td><td></td><td></td><td>InChI=1S/C11H14O7S/c12-9-5-8(3-1-2-4-11(13)14)6-10(7-9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)</td><td>OC(=O)CCCCC1=CC(O)=CC(OS(O)(=O)=O)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB001380">5-(3,5-dihydroxyphenyl)pentanoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002910">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2969"><td></td><td><a href="/entries/PHUB002911">5-(3,5-dihydroxyphenyl)pentanoic glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002911</td><td>2969</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002911/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001380">5-(3,5-dihydroxyphenyl)pentanoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002911">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2970"><td></td><td><a href="/entries/PHUB002912">5-(3,5-dihydroxyphenyl)heptanoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002912</td><td>2970</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002912/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002912">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2971"><td></td><td><a href="/entries/PHUB002913">5-(3,5-dihydroxyphenyl)heptanoic sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002913</td><td>2971</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002913/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002977">3,5-Dihydroxybenzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002913">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2972"><td></td><td><a href="/entries/PHUB002914">5-(3,5-dihydroxyphenyl)heptanoic glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002914</td><td>2972</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002914/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002977">3,5-Dihydroxybenzoic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002914">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2973"><td></td><td><a href="/entries/PHUB002915">Methyl-5-heptadecylresorcinol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-heptadecyl-2-methylbenzene-1,3-diol</td><td>PHUB002915</td><td>2973</td><td>362.318480578</td><td>C<sub>24</sub>H<sub>42</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002915/image.svg" src="" /></td><td>IPOJCHWCMAEPBJ-UHFFFAOYSA-N</td><td></td><td></td><td>362.6</td><td></td><td></td><td></td><td>InChI=1S/C24H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(25)21(2)24(26)20-22/h19-20,25-26H,3-18H2,1-2H3</td><td>CCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)O)C)O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002915">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2974"><td></td><td><a href="/entries/PHUB002916">5-n-Heptadecylresorcinol-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-heptadecylbenzene-1,3-diol glucuronide</td><td>PHUB002916</td><td>2974</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002916/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002916">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2975"><td></td><td><a href="/entries/PHUB002917">5-n-Heptadecylresorcinol-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-heptadecylbenzene-1,3-diol sulfate</td><td>PHUB002917</td><td>2975</td><td></td><td></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002917/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002917">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="2979"><td></td><td><a href="/entries/PHUB002921">5-(2-Carboxynonadecyl)-resorcinol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002921</td><td>2979</td><td>406.308309832</td><td>C<sub>25</sub>H<sub>42</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Alkylresorcinol 19:0-COOH</td><td class="structure"><img data-src="/structures/PHUB002921/image.svg" src="" /></td><td>ZRZZSFKRNUDZEL-UHFFFAOYSA-N</td><td></td><td>19-(3,5-dihydroxyphenyl)nonadecanoic acid</td><td>406.607</td><td></td><td></td><td></td><td>InChI=1S/C25H42O4/c26-23-19-22(20-24(27)21-23)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-25(28)29/h19-21,26-27H,1-18H2,(H,28,29)</td><td>OC(=O)CCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>4.95200264293694</td><td></td><td><a href="/entries/PHUB000555">5-Nonadecenylresorcinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002921">
9Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2980"><td></td><td><a href="/entries/PHUB002922">5-(2-oxononadecanyl)resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002922</td><td>2980</td><td></td><td></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Alkylresorcinol 19:0,oxo</td><td class="structure"><img data-src="/structures/PHUB002922/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002922">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2981"><td></td><td><a href="/entries/PHUB002923">5-(2-oxononadecenyl)resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002923</td><td>2981</td><td></td><td></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002923/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002923">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="2982"><td></td><td><a href="/entries/PHUB002924">5-(2-Hydroxynonadecenyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002924</td><td>2982</td><td>390.313395212</td><td>C<sub>25</sub>H<sub>42</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Alkylresorcinol 19:1-OH</td><td class="structure"><img data-src="/structures/PHUB002924/image.svg" src="" /></td><td>ZSSGTTQFMOEYHR-JJNABOQBSA-N</td><td></td><td>5-[(2R,10E)-2-hydroxynonadec-10-en-1-yl]benzene-1,3-diol</td><td>390.608</td><td></td><td></td><td></td><td>InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)18-22-19-24(27)21-25(28)20-22/h9-10,19-21,23,26-28H,2-8,11-18H2,1H3/b10-9+/t23-/m1/s1</td><td>CCCCCCCC\C=C\CCCCCCC[C@@H](O)CC1=CC(O)=CC(O)=C1</td><td>-2.745818493423421</td><td>9.305318180406852</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002924">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2983"><td></td><td><a href="/entries/PHUB002925">5-(Nona-10Z,13Z-decadienyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(Nona-10Z,13Z-decadienyl)-benzene-1,3-diol</td><td>PHUB002925</td><td>2983</td><td>402.277009704</td><td>C<sub>25</sub>H<sub>38</sub>O<sub>4</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002925/image.svg" src="" /></td><td>JVJBOFUMOUVLPJ-ZJWDPYATSA-N</td><td></td><td>(6E,9E)-19-(3,5-dihydroxyphenyl)nonadeca-6,9-dienoic acid</td><td>402.575</td><td></td><td></td><td></td><td>InChI=1S/C25H38O4/c26-23-19-22(20-24(27)21-23)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-25(28)29/h2,4,8,10,19-21,26-27H,1,3,5-7,9,11-18H2,(H,28,29)/b4-2+,10-8+</td><td>OC(=O)CCCC\C=C\C\C=C\CCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>4.9224768691258</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002925">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2984"><td></td><td><a href="/entries/PHUB002926">5-(2-oxo,10Z,13Z-nonadecadienyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(2-oxo,10Z,13Z-nonadecadienyl)-benzene-1,3-diol</td><td>PHUB002926</td><td>2984</td><td>386.282095084</td><td>C<sub>25</sub>H<sub>38</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002926/image.svg" src="" /></td><td>CAJDUCWCNPGYMJ-AVQMFFATSA-N</td><td></td><td>(10E,13E)-1-(3,5-dihydroxyphenyl)nonadeca-10,13-dien-2-one</td><td>386.576</td><td></td><td></td><td></td><td>InChI=1S/C25H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)18-22-19-24(27)21-25(28)20-22/h6-7,9-10,19-21,27-28H,2-5,8,11-18H2,1H3/b7-6+,10-9+</td><td>CCCCC\C=C\C\C=C\CCCCCCCC(=O)CC1=CC(O)=CC(O)=C1</td><td>-5.672133332997596</td><td>9.171236330865773</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002926">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2986"><td></td><td><a href="/entries/PHUB002928">5-n-(2'-oxoheneicosyl)resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002928</td><td>2986</td><td>418.344695341</td><td>C<sub>27</sub>H<sub>46</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002928/image.svg" src="" /></td><td>BENPXLIQKFYNHW-UHFFFAOYSA-N</td><td></td><td>1-(3,5-dihydroxyphenyl)henicosan-2-one</td><td>418.662</td><td></td><td></td><td></td><td>InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h21-23,29-30H,2-20H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1</td><td>-5.672133332997596</td><td>9.171236330865773</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002928">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2987"><td></td><td><a href="/entries/PHUB002929">5-(Henei-12Z,15Z-cosadienyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(Henei-12Z,15Z-cosadienyl)-benzene-1,3-diol</td><td>PHUB002929</td><td>2987</td><td>400.334130657</td><td>C<sub>27</sub>H<sub>44</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002929/image.svg" src="" /></td><td>CFGQZPIKGWYREM-AVQMFFATSA-N</td><td></td><td>5-[(12E,15E)-henicosa-12,15-dien-1-yl]benzene-1,3-diol</td><td>400.647</td><td></td><td></td><td></td><td>InChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h6-7,9-10,22-24,28-29H,2-5,8,11-21H2,1H3/b7-6+,10-9+</td><td>CCCCC\C=C\C\C=C\CCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002929">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2988"><td></td><td><a href="/entries/PHUB002930">5-(4-Hydroxy,12Z,15Z-heneicosenyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(4-Hydroxy,12Z,15Z-heneicosenyl)-benzene-1,3-diol</td><td>PHUB002930</td><td>2988</td><td>416.329045277</td><td>C<sub>27</sub>H<sub>44</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002930/image.svg" src="" /></td><td>HQUOSUBRAOQHDN-BBFBSBRWSA-N</td><td></td><td>5-[(4R,12E,15E)-4-hydroxyhenicosa-12,15-dien-1-yl]benzene-1,3-diol</td><td>416.646</td><td></td><td></td><td></td><td>InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(28)20-17-18-24-21-26(29)23-27(30)22-24/h6-7,9-10,21-23,25,28-30H,2-5,8,11-20H2,1H3/b7-6+,10-9+/t25-/m1/s1</td><td>CCCCC\C=C\C\C=C\CCCCCCC[C@@H](O)CCCC1=CC(O)=CC(O)=C1</td><td>-2.684363112727363</td><td>9.358857354433443</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002930">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2989"><td></td><td><a href="/entries/PHUB002931">5-(2-Oxo,12Z,15Z-heneicosenyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(2-Oxo,12Z,15Z-heneicosenyl)-benzene-1,3-diol</td><td>PHUB002931</td><td>2989</td><td>414.313395212</td><td>C<sub>27</sub>H<sub>42</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002931/image.svg" src="" /></td><td>YAFYNNTZISODIZ-AVQMFFATSA-N</td><td></td><td>(12E,15E)-1-(3,5-dihydroxyphenyl)henicosa-12,15-dien-2-one</td><td>414.63</td><td></td><td></td><td></td><td>InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h6-7,9-10,21-23,29-30H,2-5,8,11-20H2,1H3/b7-6+,10-9+</td><td>CCCCC\C=C\C\C=C\CCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1</td><td>-5.672133332997596</td><td>9.171236330865773</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002931">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2991"><td></td><td><a href="/entries/PHUB002933">5-n-(2'-oxo-14'-(Z)-heneicosenyl)resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002933</td><td>2991</td><td>416.329045277</td><td>C<sub>27</sub>H<sub>44</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002933/image.svg" src="" /></td><td>NWXMHBXCXFNPAS-BQYQJAHWSA-N</td><td></td><td>(14E)-1-(3,5-dihydroxyphenyl)henicos-14-en-2-one</td><td>416.646</td><td></td><td></td><td></td><td>InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)20-24-21-26(29)23-27(30)22-24/h7-8,21-23,29-30H,2-6,9-20H2,1H3/b8-7+</td><td>CCCCCC\C=C\CCCCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1</td><td>-5.672133332997596</td><td>9.171236330865773</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002933">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2992"><td></td><td><a href="/entries/PHUB002934">5-(2-oxotricosanyl)resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(2-oxotricosanyl)-benzene-1,3-diol</td><td>PHUB002934</td><td>2992</td><td></td><td></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002934/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002934">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2993"><td></td><td><a href="/entries/PHUB002935">5-(2-oxotricosenyl)resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002935</td><td>2993</td><td></td><td></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002935/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002935">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2994"><td></td><td><a href="/entries/PHUB002936">5-(4-Hydroxytricosenyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002936</td><td>2994</td><td></td><td></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002936/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002936">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2995"><td></td><td><a href="/entries/PHUB002937">5-(Tri-14Z,17Z-cosadienyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(Tri-14Z,17Z-cosadienyl)-benzene-1,3-diol</td><td>PHUB002937</td><td>2995</td><td>428.365430786</td><td>C<sub>29</sub>H<sub>48</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002937/image.svg" src="" /></td><td>PHMDVSHQOMBEKM-AVQMFFATSA-N</td><td></td><td>5-[(14E,17E)-tricosa-14,17-dien-1-yl]benzene-1,3-diol</td><td>428.701</td><td></td><td></td><td></td><td>InChI=1S/C29H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h6-7,9-10,24-26,30-31H,2-5,8,11-23H2,1H3/b7-6+,10-9+</td><td>CCCCC\C=C\C\C=C\CCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002937">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2996"><td></td><td><a href="/entries/PHUB002938">5-(4-Hydroxy,14Z,17Z-tricosadienyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(4-Hydroxy,14Z,17Z-tricosadienyl)-benzene-1,3-diol</td><td>PHUB002938</td><td>2996</td><td>444.360345406</td><td>C<sub>29</sub>H<sub>48</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002938/image.svg" src="" /></td><td>BDITWLFWHFPXEG-PLVDUWFESA-N</td><td></td><td>5-[(4R,14E,17E)-4-hydroxytricosa-14,17-dien-1-yl]benzene-1,3-diol</td><td>444.7</td><td></td><td></td><td></td><td>InChI=1S/C29H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(30)22-19-20-26-23-28(31)25-29(32)24-26/h6-7,9-10,23-25,27,30-32H,2-5,8,11-22H2,1H3/b7-6+,10-9+/t27-/m1/s1</td><td>CCCCC\C=C\C\C=C\CCCCCCCCC[C@@H](O)CCCC1=CC(O)=CC(O)=C1</td><td>-2.6843631127252827</td><td>9.358857354433443</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002938">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2997"><td></td><td><a href="/entries/PHUB002939">5-(2-Oxo,14Z,17Z-tricosadienyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(2-Oxo,14Z,17Z-tricosadienyl)-benzene-1,3-diol</td><td>PHUB002939</td><td>2997</td><td>442.344695341</td><td>C<sub>29</sub>H<sub>46</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002939/image.svg" src="" /></td><td>MVQLXLQLUOQAEY-AVQMFFATSA-N</td><td></td><td>(14E,17E)-1-(3,5-dihydroxyphenyl)tricosa-14,17-dien-2-one</td><td>442.684</td><td></td><td></td><td></td><td>InChI=1S/C29H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)22-26-23-28(31)25-29(32)24-26/h6-7,9-10,23-25,31-32H,2-5,8,11-22H2,1H3/b7-6+,10-9+</td><td>CCCCC\C=C\C\C=C\CCCCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1</td><td>-5.672133332997596</td><td>9.171236330865773</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002939">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="2999"><td></td><td><a href="/entries/PHUB002941">5-(2-Oxopentacosanyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002941</td><td>2999</td><td></td><td></td><td>Polyphenols</td><td>Alkylresorcinols</td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002941/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002941">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3000"><td></td><td><a href="/entries/PHUB002942">5-(2-Oxopentacosenyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002942</td><td>3000</td><td></td><td></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002942/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002942">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3001"><td></td><td><a href="/entries/PHUB002943">5-(4-Hydroxypentacosenyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002943</td><td>3001</td><td></td><td></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002943/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002943">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3002"><td></td><td><a href="/entries/PHUB002944">5-(Penta-16Z,19Z-cosadienyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(Penta-16Z,19Z-cosadienyl)-benzene-1,3-diol</td><td>PHUB002944</td><td>3002</td><td>456.396730914</td><td>C<sub>31</sub>H<sub>52</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002944/image.svg" src="" /></td><td>RJHHIBAGASINRF-AVQMFFATSA-N</td><td></td><td>5-[(16E,19E)-pentacosa-16,19-dien-1-yl]benzene-1,3-diol</td><td>456.755</td><td></td><td></td><td></td><td>InChI=1S/C31H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h6-7,9-10,26-28,32-33H,2-5,8,11-25H2,1H3/b7-6+,10-9+</td><td>CCCCC\C=C\C\C=C\CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002944">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3003"><td></td><td><a href="/entries/PHUB002945">5-(2-Oxo,16Z,19Z-pentacosadienyl)-resorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-(2-Oxo,16Z,19Z-pentacosadienyl)-benzene-1,3-diol</td><td>PHUB002945</td><td>3003</td><td>470.37599547</td><td>C<sub>31</sub>H<sub>50</sub>O<sub>3</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002945/image.svg" src="" /></td><td>DZURGUGOQQREEZ-AVQMFFATSA-N</td><td></td><td>(16E,19E)-1-(3,5-dihydroxyphenyl)pentacosa-16,19-dien-2-one</td><td>470.738</td><td></td><td></td><td></td><td>InChI=1S/C31H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)24-28-25-30(33)27-31(34)26-28/h6-7,9-10,25-27,33-34H,2-5,8,11-24H2,1H3/b7-6+,10-9+</td><td>CCCCC\C=C\C\C=C\CCCCCCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1</td><td>-5.672133332997596</td><td>9.171236330865773</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002945">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3004"><td></td><td><a href="/entries/PHUB002946">Indole-3-acetic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002946</td><td>3004</td><td>175.063328534</td><td>C<sub>10</sub>H<sub>9</sub>NO<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amine metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(1H-Indol-3-yl)acetic acid</td><td class="structure"><img data-src="/structures/PHUB002946/image.svg" src="" /></td><td>SEOVTRFCIGRIMH-UHFFFAOYSA-N</td><td></td><td></td><td>175.187</td><td></td><td></td><td></td><td>InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)</td><td>OC(=O)CC1=CNC2=C1C=CC=C2</td><td></td><td></td><td></td><td><a href="/entries/PHUB002963">Broccoli and mustard glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002946">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3005"><td></td><td><a href="/entries/PHUB002947">methoxy indole-3-carbinol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002947</td><td>3005</td><td>161.084063978</td><td>C<sub>10</sub>H<sub>11</sub>NO</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td></td><td class="structure"><img data-src="/structures/PHUB002947/image.svg" src="" /></td><td>RJWLFBCRNXZXTJ-UHFFFAOYSA-N</td><td></td><td></td><td>161.204</td><td></td><td></td><td></td><td>InChI=1S/C10H11NO/c1-12-7-8-6-11-10-5-3-2-4-9(8)10/h2-6,11H,7H2,1H3</td><td>COCC1=CNC2=CC=CC=C12</td><td></td><td></td><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002947">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3006"><td></td><td><a href="/entries/PHUB002948">Indole-3-carboxaldehyde</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002948</td><td>3006</td><td>145.052763849</td><td>C<sub>9</sub>H<sub>7</sub>NO</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>1H-indole-3-carbaldehyde</td><td class="structure"><img data-src="/structures/PHUB002948/image.svg" src="" /></td><td>OLNJUISKUQQNIM-UHFFFAOYSA-N</td><td></td><td></td><td>145.161</td><td></td><td></td><td></td><td>InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H</td><td>[H]C(=O)C1=CNC2=C1C=CC=C2</td><td></td><td></td><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a> / <a href="/entries/PHUB002320">Indole-3-carbinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002948">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3007"><td></td><td><a href="/entries/PHUB002949">5-Methoxyindole-3-carboxaldehyde</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002949</td><td>3007</td><td>175.063328534</td><td>C<sub>10</sub>H<sub>9</sub>NO<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>1-methoxy-1H-indole-3-carbaldehyde; methoxy-indole-3-carboxaldehyde</td><td class="structure"><img data-src="/structures/PHUB002949/image.svg" src="" /></td><td>TUWARWGEOHQXCO-UHFFFAOYSA-N</td><td></td><td></td><td>175.187</td><td></td><td></td><td></td><td>InChI=1S/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3</td><td>[H]C(=O)C1=CNC2=C1C=C(OC)C=C2</td><td></td><td></td><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002949">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3008"><td></td><td><a href="/entries/PHUB002950">Indole-3-carboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002950</td><td>3008</td><td>161.047678469</td><td>C<sub>9</sub>H<sub>7</sub>NO<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>1H-indole-3-carboxylic acid</td><td class="structure"><img data-src="/structures/PHUB002950/image.svg" src="" /></td><td>KMAKOBLIOCQGJP-UHFFFAOYSA-N</td><td></td><td></td><td>161.16</td><td></td><td></td><td></td><td>InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)</td><td>OC(=O)C1=CNC2=C1C=CC=C2</td><td></td><td></td><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a> / <a href="/entries/PHUB002320">Indole-3-carbinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002950">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3009"><td></td><td><a href="/entries/PHUB002951">methoxy-indole-3-carboxylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1-methoxyindole-3-carboxylic acid</td><td>PHUB002951</td><td>3009</td><td>193.073893218</td><td>C<sub>10</sub>H<sub>11</sub>NO<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td></td><td class="structure"><img data-src="/structures/PHUB002951/image.svg" src="" /></td><td>MBWPYHNLTNVDMH-UHFFFAOYNA-N</td><td></td><td></td><td>193.202</td><td></td><td></td><td></td><td>InChI=1/C10H11NO3/c1-14-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-5,8H,6H2,1H3,(H,12,13)</td><td>CON1CC(C(O)=O)C2=C1C=CC=C2</td><td></td><td></td><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002951">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3010"><td></td><td><a href="/entries/PHUB002952">Methyl-5-heptacosylresorcinol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>5-heptacosyl-2-methylbenzene-1,3-diol</td><td>PHUB002952</td><td>3010</td><td>502.47498122 </td><td>C<sub>34</sub>H<sub>62</sub>O<sub>2</sub></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002952/image.svg" src="" /></td><td>BXNOJSRKHPMBLY-UHFFFAOYSA-N</td><td></td><td></td><td>502.9</td><td></td><td></td><td></td><td>InChI=1S/C34H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-29-33(35)31(2)34(36)30-32/h29-30,35-36H,3-28H2,1-2H3</td><td>CCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)O)C)O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002952">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3011"><td></td><td><a href="/entries/PHUB002953">5-Heptacosylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-heptacosylbenzene-1,3-diol</td><td>PHUB002953</td><td>3011</td><td>488.45933115</td><td>C<sub>33</sub>H<sub>60</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002953/image.svg" src="" /></td><td>LNHZINSBVLHRFL-UHFFFAOYSA-N</td><td></td><td>5-heptacosylbenzene-1,3-diol</td><td>488.8</td><td></td><td></td><td></td><td>InChI=1S/C33H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-28-32(34)30-33(35)29-31/h28-30,34-35H,2-27H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002953">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3012"><td></td><td><a href="/entries/PHUB002954">5-Nonacosylresorcinol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-nonacosylbenzene-1,3-diol</td><td>PHUB002954</td><td>3012</td><td>516.49063128</td><td>C<sub>35</sub>H<sub>64</sub>O<sub>2</sub></td><td>Polyphenols</td><td>Alkylresorcinols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002954/image.svg" src="" /></td><td>OXFCQJVRLYHTFG-UHFFFAOYSA-N</td><td></td><td>5-nonacosylbenzene-1,3-diol</td><td>516.9</td><td></td><td></td><td></td><td>InChI=1S/C35H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-30-34(36)32-35(37)31-33/h30-32,36-37H,2-29H2,1H3</td><td>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O</td><td>-5.6650579160485925</td><td>9.359032641624808</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002954">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3013"><td></td><td><a href="/entries/PHUB002955">4-methylsulfinyl-3-butenyl isothiocyanate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002955</td><td>3013</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>4-isothiocyanato-1-methylsulfinylbut-1-ene</td><td class="structure"><img data-src="/structures/PHUB002955/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002955">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3014"><td></td><td><a href="/entries/PHUB002956">4-methylsulfinyl-3-butenyl isothiocyanate-N-acetyl cysteine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002956</td><td>3014</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002956/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002956">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3015"><td></td><td><a href="/entries/PHUB002957">Benzylisothiocyanate-lysine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002957</td><td>3015</td><td>280.142307132</td><td>C<sub>14</sub>H<sub>20</sub>N<sub>2</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>BITC-Lys</td><td class="structure"><img data-src="/structures/PHUB002957/image.svg" src="" /></td><td>CKGCFBNYQJDIGS-STGVRZAANA-N</td><td></td><td></td><td>280.324</td><td></td><td></td><td></td><td>InChI=1/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/s2</td><td>N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000816">Glucotropaeolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002957">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3016"><td></td><td><a href="/entries/PHUB002958">Kynurenine</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002958</td><td>3016</td><td>208.084792254</td><td>C<sub>10</sub>H<sub>12</sub>N<sub>2</sub>O<sub>3</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2-amino-4-(2-aminophenyl)-4-oxobutanoic acid</td><td class="structure"><img data-src="/structures/PHUB002958/image.svg" src="" /></td><td>YGPSJZOEDVAXAB-UHFFFAOYSA-N</td><td></td><td></td><td>208.217</td><td></td><td></td><td></td><td>InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)</td><td>NC(CC(=O)C1=CC=CC=C1N)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002963">Broccoli and mustard glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002958">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3017"><td></td><td><a href="/entries/PHUB002959">methoxy-ascorbigen</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002959</td><td>3017</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002959/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002959">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3018"><td></td><td><a href="/entries/PHUB002960">hydroxy-ascorbigen</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002960</td><td>3018</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002960/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a> / <a href="/entries/PHUB002966">Broccoli glucosinolates</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002960">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3019"><td></td><td><a href="/entries/PHUB002961">Indole-3-aldehyde</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002961</td><td>3019</td><td>175.063328534</td><td>C<sub>10</sub>H<sub>9</sub>NO<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002961/image.svg" src="" /></td><td>SEOVTRFCIGRIMH-UHFFFAOYSA-N</td><td></td><td></td><td>175.187</td><td></td><td></td><td></td><td>InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)</td><td>OC(=O)CC1=CNC2=CC=CC=C12</td><td></td><td></td><td></td><td><a href="/entries/PHUB002963">Broccoli and mustard glucosinolates</a> / <a href="/entries/PHUB001837">Tryptophan</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002961">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3020"><td></td><td><a href="/entries/PHUB002962">Indole-3-lactic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002962</td><td>3020</td><td>175.063328534</td><td>C<sub>10</sub>H<sub>9</sub>NO<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Amino acid metabolites</td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002962/image.svg" src="" /></td><td>SEOVTRFCIGRIMH-UHFFFAOYSA-N</td><td></td><td>2-(1H-indol-3-yl)acetic acid</td><td>175.187</td><td></td><td></td><td></td><td>InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)</td><td>OC(=O)CC1=CNC2=CC=CC=C12</td><td></td><td>4.661850493370194</td><td></td><td><a href="/entries/PHUB002963">Broccoli and mustard glucosinolates</a> / <a href="/entries/PHUB001837">Tryptophan</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002962">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3021"><td></td><td><a href="/entries/PHUB002963">Broccoli and mustard glucosinolates</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002963</td><td>3021</td><td></td><td></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002963/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000796">4-Hydroxyglucobrassicin</a> / <a href="/entries/PHUB000797">4-Methoxyglucobrassicin</a> / <a href="/entries/PHUB000798">Glucoalyssin</a> / <a href="/entries/PHUB000801">Glucobrassicin</a> / <a href="/entries/PHUB000805">Glucoerucin</a> / <a href="/entries/PHUB000807">Glucoiberin</a> / <a href="/entries/PHUB000810">Gluconapin</a> / <a href="/entries/PHUB000812">Gluconasturtiin</a> / <a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB000817">Neoglucobrassicin</a> / <a href="/entries/PHUB000820">Sinigrin</a> / <a href="/entries/PHUB000821">Sulforaphane</a> / <a href="/entries/PHUB000787">Tryptamine</a> / <a href="/entries/PHUB002946">Indole-3-acetic acid</a> / <a href="/entries/PHUB002958">Kynurenine</a> / <a href="/entries/PHUB002961">Indole-3-aldehyde</a> / <a href="/entries/PHUB002962">Indole-3-lactic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002963">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3023"><td></td><td><a href="/entries/PHUB002965">Kale and daikon radish glucosinolates</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002965</td><td>3023</td><td></td><td></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002965/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002877">Allyl isothiocyanate-N-acetyl-L-cysteine</a> / <a href="/entries/PHUB002879">Allyl isothiocyanate-cysteine</a> / <a href="/entries/PHUB002947">methoxy indole-3-carbinol</a> / <a href="/entries/PHUB002948">Indole-3-carboxaldehyde</a> / <a href="/entries/PHUB002949">5-Methoxyindole-3-carboxaldehyde</a> / <a href="/entries/PHUB002950">Indole-3-carboxylic acid</a> / <a href="/entries/PHUB002951">methoxy-indole-3-carboxylic acid</a> / <a href="/entries/PHUB002955">4-methylsulfinyl-3-butenyl isothiocyanate</a> / <a href="/entries/PHUB002956">4-methylsulfinyl-3-butenyl isothiocyanate-N-acetyl cysteine</a> / <a href="/entries/PHUB002959">methoxy-ascorbigen</a> / <a href="/entries/PHUB002960">hydroxy-ascorbigen</a> / <a href="/entries/PHUB002320">Indole-3-carbinol</a> / <a href="/entries/PHUB002595">Ascorbigen</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002965">
9Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3024"><td></td><td><a href="/entries/PHUB002966">Broccoli glucosinolates</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002966</td><td>3024</td><td></td><td></td><td>N-containing compounds</td><td>Glucosinolates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002966/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000814">Glucoraphanin</a> / <a href="/entries/PHUB002320">Indole-3-carbinol</a> / <a href="/entries/PHUB002595">Ascorbigen</a> / <a href="/entries/PHUB002947">methoxy indole-3-carbinol</a> / <a href="/entries/PHUB002948">Indole-3-carboxaldehyde</a> / <a href="/entries/PHUB002949">5-Methoxyindole-3-carboxaldehyde</a> / <a href="/entries/PHUB002950">Indole-3-carboxylic acid</a> / <a href="/entries/PHUB002955">4-methylsulfinyl-3-butenyl isothiocyanate</a> / <a href="/entries/PHUB002959">methoxy-ascorbigen</a> / <a href="/entries/PHUB002960">hydroxy-ascorbigen</a> / <a href="/entries/PHUB002864">Sulforaphane-cysteine</a> / <a href="/entries/PHUB002869">Erucin-cysteine-glycine</a> / <a href="/entries/PHUB002432">2-thiothiazolidine-4-carboxylic acid</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002966">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3034"><td></td><td><a href="/entries/PHUB002967">Secoisolariciresinol diglucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002967</td><td>3034</td><td>686.278585401</td><td>C<sub>32</sub>H<sub>46</sub>O<sub>16</sub></td><td>Polyphenols</td><td>Lignans</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002967/image.svg" src="" /></td><td>SBVBJPHMDABKJV-GPVSADJTNA-N</td><td></td><td></td><td>686.704</td><td></td><td></td><td></td><td>InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32?/s2</td><td>COC1=C(O)C=CC(C[C@@H](COC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC2=CC(OC)=C(O)C=C2)=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB001386">Enterodiol</a> / <a href="/entries/PHUB001387">Enterolactone</a> / <a href="/entries/PHUB001388">(+)-Matairesinol</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002967">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3035"><td></td><td><a href="/entries/PHUB002968">Flaxseed Secoiridoids</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002968</td><td>3035</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002968/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001386">Enterodiol</a> / <a href="/entries/PHUB001387">Enterolactone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002968">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3036"><td></td><td><a href="/entries/PHUB002969">Linseed Secoiridoids</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002969</td><td>3036</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002969/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002972">Enterolactone glucuronide</a> / <a href="/entries/PHUB002971">Enterodiol glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002969">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3037"><td></td><td><a href="/entries/PHUB002970">Strawberry Secoiridoids</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002970</td><td>3037</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002970/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001387">Enterolactone</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002970">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3038"><td></td><td><a href="/entries/PHUB002971">Enterodiol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002971</td><td>3038</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Lignan metabolites</td><td>Enterolignans</td><td></td><td class="structure"><img data-src="/structures/PHUB002971/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002969">Linseed Secoiridoids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002971">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3039"><td></td><td><a href="/entries/PHUB002972">Enterolactone glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002972</td><td>3039</td><td></td><td></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Lignan metabolites</td><td>Enterolignans</td><td></td><td class="structure"><img data-src="/structures/PHUB002972/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002969">Linseed Secoiridoids</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002972">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="3040"><td></td><td><a href="/entries/PHUB002973">Avenanthramide O</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002973</td><td>3040</td><td>325.095022587</td><td>C<sub>18</sub>H<sub>15</sub>NO<sub>5</sub></td><td>N-containing compounds</td><td>Alkaloids</td><td>Miscellaneous alkaloids</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Aventhramides</td><td>Avenanthramide 2pd</td><td class="structure"><img data-src="/structures/PHUB002973/image.svg" src="" /></td><td>FRNDILDQFSAXAR-ZPUQHVIOSA-N</td><td></td><td>5-hydroxy-2-[(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienamido]benzoic acid</td><td>325.32</td><td></td><td></td><td></td><td>InChI=1S/C18H15NO5/c20-13-7-5-12(6-8-13)3-1-2-4-17(22)19-16-10-9-14(21)11-15(16)18(23)24/h1-11,20-21H,(H,19,22)(H,23,24)/b3-1+,4-2+</td><td>OC(=O)C1=C(NC(=O)\C=C\C=C\C2=CC=C(O)C=C2)C=CC(O)=C1</td><td>-1.6100212917755072</td><td>3.3071329604039654</td><td></td><td><a href="/entries/PHUB000569">Avenanthramide 2c</a> / <a href="/entries/PHUB002973">Avenanthramide O</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002973">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3041"><td></td><td><a href="/entries/PHUB002974">dihydroavenanthramide 2f</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002974</td><td>3041</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Aventhramides</td><td></td><td class="structure"><img data-src="/structures/PHUB002974/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000570">Avenanthramide 2f</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002974">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3044"><td></td><td><a href="/entries/PHUB002977">3,5-Dihydroxybenzoic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002977</td><td>3044</td><td>154.026608673</td><td>C<sub>7</sub>H<sub>6</sub>O<sub>4</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Miscellaneous phytochemical metabolites</td><td>Alkylresorcinol metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002977/image.svg" src="" /></td><td>UYEMGAFJOZZIFP-UHFFFAOYSA-N</td><td></td><td></td><td>154.121</td><td></td><td></td><td></td><td>InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)</td><td>OC(=O)C1=CC(O)=CC(O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002977">
9Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3045"><td></td><td><a href="/entries/PHUB002978">Apigenin 4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>Apigenin 4'-O-glucuronide</td><td>PHUB002978</td><td>3045</td><td>446.0849114</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002978/image.svg" src="" /></td><td>NKRGFKAFZUDVES-DNLILFCWNA-N</td><td></td><td></td><td>446.364</td><td></td><td></td><td></td><td>InChI=1/C21H18O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16?,17-,18?,19?,21-/s2</td><td>OC1C(O)[C@H](OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC([C@@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000861">Apigenin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002978">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3046"><td></td><td><a href="/entries/PHUB002979">Chrysin glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002979</td><td>3046</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002979/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000870">Chrysin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002979">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3047"><td></td><td><a href="/entries/PHUB002980">Chrysin sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002980</td><td>3047</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002980/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000870">Chrysin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002980">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3048"><td></td><td><a href="/entries/PHUB002981">Homoplantaginin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002981</td><td>3048</td><td>460.136946973</td><td>C<sub>23</sub>H<sub>24</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB002981/image.svg" src="" /></td><td>KHICATBPTXIDKE-CGOSBYGINA-N</td><td></td><td></td><td>460.435</td><td></td><td></td><td></td><td>InChI=1/C23H24O10/c1-3-13-18(26)20(28)21(29)23(32-13)33-16-9-15-17(19(27)22(16)30-2)12(25)8-14(31-15)10-4-6-11(24)7-5-10/h4-9,13,18,20-21,23-24,26-29H,3H2,1-2H3/t13-,18-,20+,21-,23+/s2</td><td>CC[C@H]1O[C@@H](OC2=C(OC)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000886">Hispidulin</a> / <a href="/entries/PHUB002981">
9Homoplantaginin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002981">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3049"><td></td><td><a href="/entries/PHUB002982">Luteolin-4-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002982</td><td>3049</td><td>462.07982602</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002982/image.svg" src="" /></td><td>PTHHVPMFZWYYDK-UHFFFAOYSA-N</td><td></td><td></td><td>462.363</td><td></td><td></td><td></td><td>InChI=1S/C21H18O12/c22-8-4-10(24)15-11(25)6-13(31-14(15)5-8)7-1-2-12(9(23)3-7)32-2
91-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)</td><td>OC1C(O)C(OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000892">Luteolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002982">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3050"><td></td><td><a href="/entries/PHUB002983">Luteolin-3-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002983</td><td>3050</td><td>462.07982602</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002983/image.svg" src="" /></td><td>JDOFZOKGCYYUER-UHFFFAOYSA-N</td><td></td><td>6-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>462.363</td><td></td><td></td><td></td><td>InChI=1S/C21H18O12/c22-8-4-10(24)15-11(25)6-12(31-14(15)5-8)7-1-2-9(23)13(3-7)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)</td><td>OC1C(O)C(OC2=C(O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O</td><td>-3.6868279771688566</td><td>2.960277024101365</td><td></td><td><a href="/entries/PHUB000892">Luteolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002983">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3051"><td></td><td><a href="/entries/PHUB002984">3'-O-methyl-luteolin-7-O-Glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3'-Methoxyluteolin-7-glucuronide</td><td>PHUB002984</td><td>3051</td><td>476.095476084</td><td>C<sub>22</sub>H<sub>20</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002984/image.svg" src="" /></td><td>VLYLVFHVHHGXHX-SXFAUFNYSA-N</td><td></td><td></td><td>476.39</td><td></td><td></td><td></td><td>InChI=1S/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1</td><td>[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000892">Luteolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002984">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3052"><td></td><td><a href="/entries/PHUB002985">4'-O-methyl-luteolin-3'-O-b-D-Glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-methoxyluteolin-3'-glucuronide</td><td>PHUB002985</td><td>3052</td><td>476.095476084</td><td>C<sub>22</sub>H<sub>20</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002985/image.svg" src="" /></td><td>VATVKLJSQQBZTF-UHFFFAOYSA-N</td><td></td><td>6-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</td><td>476.39</td><td></td><td></td><td></td><td>InChI=1S/C22H20O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)</td><td>COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1</td><td>-3.6868279779512547</td><td>3.038990174651047</td><td></td><td><a href="/entries/PHUB000892">Luteolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002985">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3053"><td></td><td><a href="/entries/PHUB002986">4'-O-methyl-luteolin-7-O-Glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4'-methoxyluteolin-7-glucuronide</td><td>PHUB002986</td><td>3053</td><td>476.095476084</td><td>C<sub>22</sub>H<sub>20</sub>O<sub>12</sub></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002986/image.svg" src="" /></td><td>XCKMDTYMOHXUHG-SXFAUFNYSA-N</td><td></td><td></td><td>476.39</td><td></td><td></td><td></td><td>InChI=1S/C22H20O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1</td><td>[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(OC)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000892">Luteolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002986">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3054"><td></td><td><a href="/entries/PHUB002987">Luteolin-3'-O-Sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002987</td><td>3054</td><td>366.004553076</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>9</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002987/image.svg" src="" /></td><td>PEQKOWDFKUBMQH-UHFFFAOYSA-N</td><td></td><td></td><td>366.3</td><td></td><td></td><td></td><td>InChI=1S/C15H10O9S/c16-8-4-10(18)15-11(19)6-12(23-14(15)5-8)7-1-2-9(17)13(3-7)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)</td><td>OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000892">Luteolin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002987">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3055"><td></td><td><a href="/entries/PHUB002988">5'-Demethylnobiletin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one</td><td>PHUB002988</td><td>3055</td><td>388.115817604</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td>2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one</td><td class="structure"><img data-src="/structures/PHUB002988/image.svg" src="" /></td><td>DOFJNFPSMUCECH-UHFFFAOYSA-N</td><td>2174-59-6</td><td></td><td>388.372</td><td></td><td></td><td></td><td>InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3</td><td>COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(O)C(OC)=C(OC)C(OC)=C2O1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000901">Nobiletin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002988">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3056"><td></td><td><a href="/entries/PHUB002989">3'-Demethylnobiletin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002989</td><td>3056</td><td>388.115817604</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002989/image.svg" src="" /></td><td>XFYYZBJXMSDKCV-UHFFFAOYSA-N</td><td></td><td></td><td>388.372</td><td></td><td></td><td></td><td>InChI=1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3</td><td>COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000901">Nobiletin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002989">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3057"><td></td><td><a href="/entries/PHUB002990">4'-Demethylnobiletin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002990</td><td>3057</td><td>388.115817604</td><td>C<sub>20</sub>H<sub>20</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002990/image.svg" src="" /></td><td>NHMZUDOXUOAEOH-UHFFFAOYSA-N</td><td></td><td></td><td>388.372</td><td></td><td></td><td></td><td>InChI=1S/C20H20O8/c1-23-14-8-10(6-7-11(14)21)13-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,21H,1-5H3</td><td>COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000901">Nobiletin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002990">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3058"><td></td><td><a href="/entries/PHUB002991">3â²,4â²-didemethylnobiletin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002991</td><td>3058</td><td>374.10016754</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002991/image.svg" src="" /></td><td>ZDLYNMZEAFURQY-UHFFFAOYSA-N</td><td></td><td></td><td>374.345</td><td></td><td></td><td></td><td>InChI=1S/C19H18O8/c1-23-15-14-12(22)8-13(9-5-6-10(20)11(21)7-9)27-16(14)18(25-3)19(26-4)17(15)24-2/h5-8,20-21H,1-4H3</td><td>COC1=C(OC)C(OC)=C2C(=O)C=C(OC2=C1OC)C1=CC(O)=C(O)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000901">Nobiletin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002991">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3059"><td></td><td><a href="/entries/PHUB002992">4â²,5â²-didemethylnobiletin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002992</td><td>3059</td><td>374.10016754</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002992/image.svg" src="" /></td><td>ALLKIDGEFVCAPS-UHFFFAOYSA-N</td><td></td><td></td><td>374.345</td><td></td><td></td><td></td><td>InChI=1S/C19H18O8/c1-24-17-15(23)14-12(22)7-13(9-4-5-11(21)10(6-9)8-20)27-16(14)18(25-2)19(17)26-3/h4-7,20-21,23H,8H2,1-3H3</td><td>COC1=C(OC)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC(CO)=C(O)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000901">Nobiletin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002992">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3060"><td></td><td><a href="/entries/PHUB002993">Scutellarin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002993</td><td>3060</td><td>462.07982602</td><td>C<sub>21</sub>H<sub>18</sub>O<sub>12</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002993/image.svg" src="" /></td><td>DJSISFGPUUYILV-ZFORQUDYSA-N</td><td></td><td></td><td>462.363</td><td></td><td></td><td></td><td>InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(=O)C=C(O3)C3=CC=C(O)C=C3)C(O)=C2O)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002993">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3061"><td></td><td><a href="/entries/PHUB002994">5,3â²-didemethylsinensetin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002994</td><td>3061</td><td>344.089602855</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002994/image.svg" src="" /></td><td>KLAOKWJLUQKWIF-UHFFFAOYSA-N</td><td></td><td></td><td>344.319</td><td></td><td></td><td></td><td>InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3</td><td>COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C(OC)=C(OC)C=C2O1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000906">Sinensetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002994">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3062"><td></td><td><a href="/entries/PHUB002995">5,4â²-didemethylsinensetin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002995</td><td>3062</td><td>344.089602855</td><td>C<sub>18</sub>H<sub>16</sub>O<sub>7</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002995/image.svg" src="" /></td><td>VKOSQMWSWLZQPA-UHFFFAOYSA-N</td><td></td><td></td><td>344.319</td><td></td><td></td><td></td><td>InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3</td><td>COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C(OC)=C(OC)C=C2O1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000906">Sinensetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002995">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3063"><td></td><td><a href="/entries/PHUB002996">4 '-Demethyltangeretin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002996</td><td>3063</td><td>358.10525292</td><td>C<sub>19</sub>H<sub>18</sub>O<sub>7</sub></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002996/image.svg" src="" /></td><td>IECRXMSGDFIOEY-UHFFFAOYSA-N</td><td></td><td></td><td>358.346</td><td></td><td></td><td></td><td>InChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3</td><td>COC1=C(OC)C(OC)=C2C(=O)C=C(OC2=C1OC)C1=CC=C(O)C=C1</td><td></td><td></td><td></td><td><a href="/entries/PHUB000907">Tangeretin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002996">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3064"><td></td><td><a href="/entries/PHUB002997">Kaempferide glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002997</td><td>3064</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002997/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003006">Brazilian green propolis flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002997">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3065"><td></td><td><a href="/entries/PHUB002998">Kaempferide sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002998</td><td>3065</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002998/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003006">Brazilian green propolis flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002998">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3066"><td></td><td><a href="/entries/PHUB002999">kaempferol sulfoglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB002999</td><td>3066</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB002999/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003007">Blackberry Flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB002999">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3067"><td></td><td><a href="/entries/PHUB003000">Methylquercetin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003000</td><td>3067</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003000/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003000">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3068"><td></td><td><a href="/entries/PHUB003001">Methylquercetin-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003001</td><td>3068</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003001/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003001">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3069"><td></td><td><a href="/entries/PHUB003002">Quercetin glucoside sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003002</td><td>3069</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavonols (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003002/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003005">Onion flavonols</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003002">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3070"><td></td><td><a href="/entries/PHUB003003">Cranberry flavonols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003003</td><td>3070</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003003/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000712">Quercetin 3-O-glucuronide</a> / <a href="/entries/PHUB000683">Kaempferol 3-O-glucuronide</a> / <a href="/entries/PHUB000695">Myricetin 3-O-arabinoside</a> / <a href="/entries/PHUB000696">Myricetin 3-O-galactoside</a> / <a href="/entries/PHUB001662">Petunidin 3-O-rhamnoside</a> / <a href="/entries/PHUB000660">Quercetin 3-O-galactoside</a> / <a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB000672">Kaempferol</a> / <a href="/entries/PHUB000662">Isorhamnetin</a> / <a href="/entries/PHUB000694">Myricetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003003">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3071"><td></td><td><a href="/entries/PHUB003004">Quercetin 3'-O-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003004</td><td>3071</td><td>464.095476084</td><td>C<sub>21</sub>H<sub>20</sub>O<sub>12</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003004/image.svg" src="" /></td><td>YLWQTYZKYGNKPI-OKOVKYKENA-N</td><td></td><td></td><td>464.379</td><td></td><td></td><td></td><td>InChI=1/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/s2</td><td>OC[C@H]1O[C@@H](OC2=CC(=CC=C2O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000662">Isorhamnetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003004">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3072"><td></td><td><a href="/entries/PHUB003005">Onion flavonols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003005</td><td>3072</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003005/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001316">Quercetin 3'-O-sulfate</a> / <a href="/entries/PHUB001141">Quercetin 3'-O-glucuronide</a> / <a href="/entries/PHUB000666">Isorhamnetin 3-O-glucuronide</a> / <a href="/entries/PHUB001314">Quercetin sulfo-glucuronide</a> / <a href="/entries/PHUB001311">Quercetin diglucuronide</a> / <a href="/entries/PHUB003001">Methylquercetin-glucuronide</a> / <a href="/entries/PHUB003002">Quercetin glucoside sulfate</a> / <a href="/entries/PHUB001145">Quercetin glucuronide</a> / <a href="/entries/PHUB001315">Isorhamnetin 4'-O-glucuronide</a> / <a href="/entries/PHUB001312">Methylquercetin diglucuronide</a> / <a href="/entries/PHUB000702">Quercetin</a> / <a href="/entries/PHUB003000">Methylquercetin</a> / <a href="/entries/PHUB000729">Quercetin 4'-O-glucoside</a> / <a href="/entries/PHUB000668">Isorhamnetin 4'-O-glucoside</a> / <a href="/entries/PHUB001317">Quercetin sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003005">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3073"><td></td><td><a href="/entries/PHUB003006">Brazilian green propolis flavonols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003006</td><td>3073</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003006/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB002997">Kaempferide glucuronide</a> / <a href="/entries/PHUB002998">Kaempferide sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003006">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3074"><td></td><td><a href="/entries/PHUB003007">Blackberry Flavonols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003007</td><td>3074</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003007/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000691">Kaempferol 7-O-glucoside</a> / <a href="/entries/PHUB002999">kaempferol sulfoglucuronide</a> / <a href="/entries/PHUB000683">Kaempferol 3-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003007">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3075"><td></td><td><a href="/entries/PHUB003008">Blueberry flavonols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003008</td><td>3075</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003008/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000712">Quercetin 3-O-glucuronide</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003008">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3076"><td></td><td><a href="/entries/PHUB003009">Saffron flavonols</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003009</td><td>3076</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavonols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003009/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB000653">Kaempferol 3-O-glucoside</a> / <a href="/entries/PHUB000715">Quercetin 3-O-sophoroside</a> / <a href="/entries/PHUB000688">Kaempferol 3-O-sophoroside 7-O-glucoside</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003009">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3077"><td></td><td><a href="/entries/PHUB003010">3,4-DHPEA-EDAH2</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003010</td><td>3077</td><td>322.141638428</td><td>C<sub>17</sub>H<sub>22</sub>O<sub>6</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB003010/image.svg" src="" /></td><td>BDINPZLWWLXJIT-SWGQDTFXNA-N</td><td></td><td></td><td>322.357</td><td></td><td></td><td></td><td>InChI=1/C17H22O6/c1-2-12-10-23-17(21)9-13(12)8-16(20)22-6-5-11-3-4-14(18)15(19)7-11/h2-4,7,13,17-19,21H,5-6,8-10H2,1H3/b12-2+</td><td>C\C=C1/COC(O)CC1CC(=O)OCCC1=CC=C(O)C(O)=C1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003010">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3078"><td></td><td><a href="/entries/PHUB003011">
93,4-DHPEA-EAH2 methyl glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003011</td><td>3078</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td>Miscellaneous polyphenol metabolites</td><td></td><td class="structure"><img data-src="/structures/PHUB003011/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003011">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3079"><td></td><td><a href="/entries/PHUB003012">Methyl-glucuronide Apigenin</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003012</td><td>3079</td><td></td><td>C<sub>22</sub>H<sub>20</sub>O<sub>11</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003012/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003012">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3080"><td></td><td><a href="/entries/PHUB003013">Luteolin Methylglucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003013</td><td>3080</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003013/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003013">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="3081"><td></td><td><a href="/entries/PHUB003014">6'-O-frulolyl-betanin/isobetanin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003014</td><td>3081</td><td></td><td></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003014/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003014">6'-O-frulolyl-betanin/isobetanin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003014">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3082"><td></td><td><a href="/entries/PHUB003015">Betanindin diglucoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003015</td><td>3082</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003015/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003017">Red beet juice betalains</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003015">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3083"><td></td><td><a href="/entries/PHUB003016">isobetanindin diglucoside</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003016</td><td>3083</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Betalains (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003016/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003017">Red beet juice betalains</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003016">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3084"><td></td><td><a href="/entries/PHUB003017">Red beet juice betalains</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003017</td><td>3084</td><td></td><td></td><td>N-containing compounds</td><td>Alkaloids</td><td>Betalains</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003017/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB003015">Betanindin diglucoside</a> / <a href="/entries/PHUB003016">isobetanindin diglucoside</a> / <a href="/entries/PHUB000409">Neobetanin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003017">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3085"><td></td><td><a href="/entries/PHUB003018">Bergamote flavanones</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003018</td><td>3085</td><td></td><td></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003018/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001083">Eriodictyol-glucuronide</a> / <a href="/entries/PHUB001085">Eriodictyol sulfate</a> / <a href="/entries/PHUB001092">Hesperetin-3'-glucuronide</a> / <a href="/entries/PHUB001098">Hesperetin-7-glucuronide</a> / <a href="/entries/PHUB001102">Hesperetin sulfoglucuronide</a> / <a href="/entries/PHUB001104">Hesperetin-5-sulfate</a> / <a href="/entries/PHUB001113">Naringenin-4'-glucuronide</a> / <a href="/entries/PHUB001117">Naringenin-7-glucuronide</a> / <a href="/entries/PHUB001123">Naringenin-sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003018">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3086"><td></td><td><a href="/entries/PHUB003019">Eriodictyol-C-glucoside</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003019</td><td>3086</td><td></td><td>C<sub>21</sub>H<sub>22</sub>O<sub>11</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Flavanones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003019/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001085">Eriodictyol sulfate</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003019">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3087"><td></td><td><a href="/entries/PHUB003020">3-Methoxy-4-hydroxyphenylhydracrylic acid</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003020</td><td>3087</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Phenylpropanoic acids</td><td></td><td class="structure"><img data-src="/structures/PHUB003020/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href="/entries/PHUB001320">Orange flavanones</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003020">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="3088"><td></td><td><a href="/entries/PHUB003021">Erucin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>1-Isothiocyanato-4-methylsulfanylbutane</td><td>PHUB003021</td><td>3088</td><td>161.033291706</td><td>C<sub>6</sub>H<sub>11</sub>NS<sub>2</sub></td><td>N-containing compounds</td><td>Isothiocyanates</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>4-(methylthio)Butyl isothiocyanate; 4-Methylthiobutyl isothiocyanate</td><td class="structure"><img data-src="/structures/PHUB003021/image.svg" src="" /></td><td>IHQDGXUYTSZGOG-UHFFFAOYSA-N</td><td>4430-36-8</td><td></td><td>161.28</td><td></td><td></td><td></td><td>InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3</td><td>CSCCCCN=C=S</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003021">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3089"><td></td><td><a href="/entries/PHUB003022">Quebecol</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003022</td><td>3089</td><td>426.167853177</td><td>C<sub>24</sub>H<sub>26</sub>O<sub>7</sub></td><td>Polyphenols</td><td>Miscellaneous polyphenols</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>2,3,3-Tri-(3-methoxy-4-hydroxyphenyl)-1-propanol</td><td class="structure"><img data-src="/structures/PHUB003022/image.svg" src="" /></td><td>YYZUHPNBYRRBOR-UHFFFAOYNA-N</td><td>1360605-46-4</td><td></td><td>426.465</td><td></td><td></td><td></td><td>InChI=1/C24H26O7/c1-29-21-10-14(4-7-18(21)26)17(13-25)24(15-5-8-19(27)22(11-15)30-2)16-6-9-20(28)23(12-16)31-3/h4-12,17,24-28H,13H2,1-3H3</td><td>COC1=CC(=CC=C1O)C(C(CO)C1=CC(OC)=C(O)C=C1)C1=CC=C(O)C(OC)=C1</td><td></td><td></td><td><a href="/food_sources/427">Maple syrup</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003022">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3090"><td></td><td><a href="/entries/PHUB003023">Resorcinol glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003023</td><td>3090</td><td>286.068867411</td><td>C<sub>12</sub>H<sub>14</sub>O<sub>8</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>3-hydroxyphenyl glucuronide</td><td class="structure"><img data-src="/structures/PHUB003023/image.svg" src="" /></td><td>QBFLNEGRIWWRPZ-GOVZDWNOSA-N</td><td></td><td></td><td>286.236</td><td></td><td></td><td></td><td>InChI=1S/C12H14O8/c13-5-2-1-3-6(4-5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1</td><td>[H][C@@]1(OC2=CC(O)=CC=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O</td><td></td><td></td><td></td><td><a href="/entries/PHUB002660">Black tea Flavan-3-ols</a> / <a href="/entries/PHUB000702">Quercetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003023">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3091"><td></td><td><a href="/entries/PHUB003024">Resorcinol sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003024</td><td>3091</td><td>189.993594467</td><td>C<sub>6</sub>H<sub>6</sub>O<sub>5</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Phenolic acid metabolites</td><td>Benzoic and hippuric acids</td><td>hydroxybenzene 3-O-sulfate</td><td class="structure"><img data-src="/structures/PHUB003024/image.svg" src="" /></td><td>QQOGTJREOAHYMT-UHFFFAOYSA-N</td><td></td><td>(3-hydroxyphenyl)oxidanesulfonic acid</td><td>190.17</td><td></td><td></td><td></td><td>InChI=1S/C6H6O5S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)</td><td>OC1=CC(OS(O)(=O)=O)=CC=C1</td><td>-6.028147224078655</td><td>-2.4479155713072167</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003024">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3093"><td></td><td><a href="/entries/PHUB003025">Equol 7-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003025</td><td>3093</td><td>418.126382288</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003025/image.svg" src="" /></td><td>XDPLKWRSVXUQBN-LVEHSUOCSA-N</td><td></td><td></td><td>418.398</td><td></td><td>1.2</td><td></td><td>InChI=1S/C21H22O9/c22-13-4-1-10(2-5-13)12-7-11-3-6-14(8-15(11)28-9-12)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/t12-,16+,17+,18-,19+,21-/m1/s1</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C[C@H](CO3)C3=CC=C(O)C=C3)C=C2)O[C@@H]([C@H]1O)C(O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000223">Daidzin</a> / <a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003025">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3094"><td></td><td><a href="/entries/PHUB003026">Equol 4'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003026</td><td>3094</td><td>418.126382288</td><td>C<sub>21</sub>H<sub>22</sub>O<sub>9</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Isoflavones (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003026/image.svg" src="" /></td><td>VIKIIYUHWNDRNI-XTJIRPOPNA-N</td><td></td><td>(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[(3S)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]phenoxy}oxane-2-carboxylic acid</td><td>418.398</td><td></td><td></td><td></td><td>InChI=1/C21H22O9/c22-13-4-1-11-7-12(9-28-15(11)8-13)10-2-5-14(6-3-10)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/t12-,16+,17+,18-,19+,21-/s2</td><td>O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)[C@H]2COC3=C(C2)C=CC(O)=C3)O[C@@H]([C@H]1O)C(O)=O</td><td>-3.6868267613770613</td><td>3.2656445776163974</td><td></td><td><a href="/entries/PHUB000223">Daidzin</a> / <a href="/entries/PHUB000222">Daidzein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003026">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3095"><td></td><td><a href="/entries/PHUB003027">4'-O-methylequol</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003027</td><td>3095</td><td></td><td></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003027/image.svg" src="" /></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003027">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3096"><td></td><td><a href="/entries/PHUB003028">Apigenin 7-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003028</td><td>3096</td><td>350.009638456</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003028/image.svg" src="" /></td><td>UQUHXFINOFUDCC-UHFFFAOYSA-N</td><td></td><td></td><td>350.3</td><td></td><td></td><td></td><td>InChI=1S/C15H10O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-7,16-17H,(H,19,20,21)</td><td>OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003028">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3097"><td></td><td><a href="/entries/PHUB003029">Diosmetin 3'-O-glucuronide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003029</td><td>3097</td><td>462.116211528</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>11</sub></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003029/image.svg" src="" /></td><td>VSFKAJPKOFGJTH-UHFFFAOYNA-N</td><td></td><td>5,7-dihydroxy-2-(4-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one</td><td>462.407</td><td></td><td></td><td></td><td>InChI=1/C22H22O11/c1-30-13-3-2-9(14-7-12(26)18-11(25)5-10(24)6-16(18)31-14)4-15(13)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3</td><td>COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O</td><td>-2.981092354915315</td><td>6.577743539960782</td><td></td><td><a href="/entries/PHUB000880">Diosmetin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003029">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3098"><td></td><td><a href="/entries/PHUB003030">Baicalein-7-O-sulfate</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003030</td><td>3098</td><td>350.009638456</td><td>C<sub>15</sub>H<sub>10</sub>O<sub>8</sub>S</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>(Poly)phenol metabolites</td><td>Flavonoid metabolites</td><td>Flavones (parent and host metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003030/image.svg" src="" /></td><td>FUWUIHDOFUGESK-UHFFFAOYSA-N</td><td></td><td></td><td>350.3</td><td></td><td></td><td></td><td>InChI=1S/C15H10O8S/c16-9-6-10(8-4-2-1-3-5-8)22-11-7-12(23-24(19,20)21)14(17)15(18)13(9)11/h1-7,17-18H,(H,19,20,21)</td><td>OC1=C(O)C2=C(OC(=CC2=O)C2=CC=CC=C2)C=C1OS(O)(=O)=O</td><td></td><td></td><td></td><td><a href="/entries/PHUB000868">Baicalein</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003030">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3100"><td></td><td><a href="/entries/PHUB003032">N-methyl-2-pyridone-3-carboxamide</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>N-methyl-2-pyridone-3-carboxamide</td><td>PHUB003032</td><td>3100</td><td>152.058577506</td><td>C<sub>7</sub>H<sub>8</sub>N<sub>2</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Alkaloid metabolites</td><td>Purines and pyrimidines (parent, host and microbial metabolites)</td><td></td><td class="structure"><img data-src="/structures/PHUB003032/image.svg" src="" /></td><td>YKUZYUUESIPGMR-UHFFFAOYSA-N</td><td></td><td>1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide</td><td>152.153</td><td></td><td></td><td></td><td>InChI=1S/C7H8N2O2/c1-9-4-2-3-5(6(8)10)7(9)11/h2-4H,1H3,(H2,8,10)</td><td>CN1C=CC=C(C(N)=O)C1=O</td><td>-1.1291454615029204</td><td>15.720137737106047</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003032">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3101"><td></td><td><a href="/entries/PHUB003033">Ononin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Formononetin 7-O-β-D-glucopyranoside</td><td>PHUB003033</td><td>3101</td><td>430.126382288</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>9</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Formononetin 7-O-glucoside</td><td class="structure"><img data-src="/structures/PHUB003033/image.svg" src="" /></td><td>MGJLSBDCWOSMHL-MIUGBVLSSA-N</td><td>486-62-4</td><td>3-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one</td><td>430.409</td><td></td><td></td><td></td><td>InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1</td><td>COC1=CC=C(C=C1)C1=COC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2C1=O</td><td>-2.981092343722586</td><td>12.200140013404614</td><td><a href="/food_sources/33">Chickpea</a> / <a href="/food_sources/365">Red clover</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003033">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3102"><td></td><td><a href="/entries/PHUB003034">Sissotrin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>Biochanin A 7-O-β-D-glucoside</td><td>PHUB003034</td><td>3102</td><td>446.121296908</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>10</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003034/image.svg" src="" /></td><td>LFEUICHQZGNOHD-RECXWPGBSA-N</td><td>5928-26-7</td><td></td><td>446.408</td><td></td><td></td><td></td><td>InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1</td><td>COC1=CC=C(C=C1)C1=COC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2C1=O</td><td></td><td></td><td><a href="/food_sources/33">Chickpea</a> / <a href="/food_sources/365">Red clover</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003034">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3103"><td></td><td><a href="/entries/PHUB003035">Pratensein</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>3',5,7-trihydroxy-4'-methoxyisoflavone</td><td>PHUB003035</td><td>3103</td><td>300.063388106</td><td>C<sub>16</sub>H<sub>12</sub>O<sub>6</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>3'-hydroxy-biochanin A</td><td class="structure"><img data-src="/structures/PHUB003035/image.svg" src="" /></td><td>FPIOBTBNRZPWJW-UHFFFAOYSA-N</td><td>2284-31-3</td><td></td><td>300.266</td><td></td><td></td><td></td><td>InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3</td><td>COC1=C(O)C=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O</td><td></td><td></td><td><a href="/food_sources/365">Red clover</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003035">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3104"><td></td><td><a href="/entries/PHUB003036">Pseudobaptigenin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003036</td><td>3104</td><td>282.052823422</td><td>C<sub>16</sub>H<sub>10</sub>O<sub>5</sub></td><td>Polyphenols</td><td>Flavonoids</td><td>Isoflavones</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003036/image.svg" src="" /></td><td>KNJNBKINYHZUGC-UHFFFAOYSA-N</td><td>90-29-9</td><td>3-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one</td><td>282.251</td><td></td><td></td><td></td><td>InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2</td><td>OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC2=C(OCO2)C=C1</td><td>-4.64731345698964</td><td>6.477841363541507</td><td><a href="/food_sources/365">Red clover</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003036">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3105"><td></td><td><a href="/entries/PHUB003037">Trifolirhizin</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003037</td><td>3105</td><td>446.121296908</td><td>C<sub>22</sub>H<sub>22</sub>O<sub>10</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003037/image.svg" src="" /></td><td>VGSYCWGXBYZLLE-QEEQPWONSA-N</td><td></td><td></td><td>446.408</td><td></td><td></td><td></td><td>InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1</td><td>[H][C@@]12COC3=C(C=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3)[C@]1([H])OC1=C2C=C2OCOC2=C1</td><td></td><td></td><td><a href="/food_sources/33">Chickpea</a></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003037">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3106"><td></td><td><a href="/entries/PHUB003038">Pseudouridine</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td>5-Ribosyluracil</td><td>PHUB003038</td><td>3106</td><td>244.069536114</td><td>C<sub>9</sub>H<sub>12</sub>N<sub>2</sub>O<sub>6</sub></td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Purines and pyrimidines</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003038/image.svg" src="" /></td><td>PTJWIQPHWPFNBW-GBNDHIKLSA-N</td><td>1445-07-4</td><td></td><td>244.203</td><td></td><td></td><td></td><td>InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1</td><td>OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003038">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3107"><td></td><td><a href="/entries/PHUB003039">3-butenenitrile</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003039</td><td>3107</td><td>67.042199165</td><td>C<sub>4</sub>H<sub>5</sub>N</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003039/image.svg" src="" /></td><td>SJNALLRHIVGIBI-UHFFFAOYSA-N</td><td></td><td>but-3-enenitrile</td><td>67.091</td><td></td><td></td><td></td><td>InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2</td><td>C=CCC#N</td><td></td><td></td><td></td><td><a href="/entries/PHUB000820">Sinigrin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003039">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="3108"><td></td><td><a href="/entries/PHUB003040">1-Cyano-3,4-epithiobutane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003040</td><td>3108</td><td>113.029920403</td><td>C<sub>5</sub>H<sub>7</sub>NS</td><td>N-containing compound metabolites</td><td>Miscellaneous N-containing compound metabolites</td><td>Unspecified</td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>CETB</td><td class="structure"><img data-src="/structures/PHUB003040/image.svg" src="" /></td><td>ZAGXORSINWAUSP-UHFFFAOYNA-N</td><td></td><td>3-(thiiran-2-yl)propanenitrile</td><td>113.18</td><td></td><td></td><td></td><td>InChI=1/C5H7NS/c6-3-1-2-5-4-7-5/h5H,1-2,4H2</td><td>N#CCCC1CS1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003040">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="both" id="3109"><td></td><td><a href="/entries/PHUB003041">1-Cyano-4,5-epithiopentane</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span> <span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003041</td><td>3109</td><td>127.045570468</td><td>C<sub>6</sub>H<sub>9</sub>NS</td><td>N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>Miscellaneous N-containing compounds</td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>CETPEnt</td><td class="structure"><img data-src="/structures/PHUB003041/image.svg" src="" /></td><td>GWYOVZVXBRVBBE-UHFFFAOYNA-N</td><td></td><td>4-(thiiran-2-yl)butanenitrile</td><td>127.21</td><td></td><td></td><td></td><td>InChI=1/C6H9NS/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2</td><td>N#CCCCC1CS1</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003041">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3110"><td></td><td><a href="/entries/PHUB003042">Indole-3-acetonitrile</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003042</td><td>3110</td><td>156.068748266</td><td>C<sub>10</sub>H<sub>8</sub>N<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>N-containing compound metabolites</td><td>Glucosinolate and isothiocyanate metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003042/image.svg" src="" /></td><td>DMCPFOBLJMLSNX-UHFFFAOYSA-N</td><td></td><td>2-(1H-indol-3-yl)acetonitrile</td><td>156.188</td><td></td><td></td><td></td><td>InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2</td><td>N#CCC1=CNC2=C1C=CC=C2</td><td></td><td>13.74070414142437</td><td></td><td><a href="/entries/PHUB000801">Glucobrassicin</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003042">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="precursor" id="3111"><td></td><td><a href="/entries/PHUB003043">Jasmonic acid</a><span class="kind-marker"><span title="precursor" class="label-precursor"> </span></span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>PHUB003043</td><td>3111</td><td>210.12559444</td><td>C<sub>12</sub>H<sub>18</sub>O<sub>3</sub></td><td>Miscellaneous phytochemicals</td><td>Miscellaneous phytochemicals</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003043/image.svg" src="" /></td><td>ZNJFBWYDHIGLCU-AVDNRZGUNA-N</td><td></td><td>2-[(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]acetic acid</td><td>210.273</td><td></td><td></td><td></td><td>
9InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/s2</td><td>CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O</td><td>-7.422383986266191</td><td>4.714081549780867</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003043">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3112"><td></td><td><a href="/entries/PHUB003044">13-apo-β-carotenone</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>13-apo-β-caroten-12-one</td><td>PHUB003044</td><td>3112</td><td>258.198365457</td><td>C<sub>18</sub>H<sub>26</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Carotenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>13-apo-beta-carotenone; beta-Apo-13-carotenone</td><td class="structure"><img data-src="/structures/PHUB003044/image.svg" src="" /></td><td>UBTNVRPIHJRBCI-LUXGDSJYSA-N</td><td>85354-07-0</td><td></td><td>258.405</td><td></td><td></td><td></td><td>InChI=1S/C18H26O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+</td><td>CC(=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C</td><td></td><td></td><td></td><td><a href="/entries/PHUB000350">β-Carotene</a></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003044">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3113"><td></td><td><a href="/entries/PHUB003045">2,3-dehydro-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,8-epoxy-p-mentha-2,3-diene</td><td>PHUB003045</td><td>3113</td><td>152.120115135</td><td>C<sub>10</sub>H<sub>16</sub>O</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003045/image.svg" src="" /></td><td>LOOYOTLEOHYYOV-UHFFFAOYNA-N</td><td>92760-25-3</td><td></td><td>152.237</td><td></td><td></td><td></td><td>InChI=1/C10H16O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h4,6,8H,5,7H2,1-3H3</td><td>CC1(C)OC2(C)CCC1C=C2</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003045">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3114"><td></td><td><a href="/entries/PHUB003046">2,3-epoxy-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>1,8:2,3-diepoxy-p-menthane</td><td>PHUB003046</td><td>3114</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003046/image.svg" src="" /></td><td>DNUYTADVIHKXTF-UHFFFAOYNA-N</td><td></td><td></td><td>168.236</td><td></td><td></td><td></td><td>InChI=1/C10H16O2/c1-9(2)6-4-5-10(3,12-9)8-7(6)11-8/h6-8H,4-5H2,1-3H3</td><td>CC1(C)OC2(C)CCC1C1OC21</td><td></td><td></td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003046">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3115"><td></td><td><a href="/entries/PHUB003047">2-alpha-hydroxy-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-alpha-hydroxy-1,8-epoxy-p-menthane</td><td>PHUB003047</td><td>3115</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003047/image.svg" src="" /></td><td>YVCUGZBVCHODNB-CCNFQMFXSA-N</td><td></td><td></td><td>170.252</td><td></td><td></td><td></td><td>InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m1/s1</td><td>CC1(C)OC2(C)CCC1C[C@H]2O</td><td>-3.241467659936364</td><td>13.987956881718418</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003047">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3116"><td></td><td><a href="/entries/PHUB003048">2-beta-hydroxy-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-beta-hydroxy-1,8-epoxy-p-menthane</td><td>PHUB003048</td><td>3116</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003048/image.svg" src="" /></td><td>YVCUGZBVCHODNB-ZCUBBSJVSA-N</td><td></td><td></td><td>170.252</td><td></td><td></td><td></td><td>InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m0/s1</td><td>CC1(C)OC2(C)CCC1C[C@@H]2O</td><td>-3.241467659936364</td><td>13.987956881718418</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003048">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3117"><td></td><td><a href="/entries/PHUB003049">2-oxo-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>2-oxo-1,8-epoxy-p-menthane</td><td>PHUB003049</td><td>3117</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003049/image.svg" src="" /></td><td>CCBAAZXPXFYPBE-UHFFFAOYNA-N</td><td>66965-44-4</td><td></td><td>168.236</td><td></td><td></td><td></td><td>InChI=1/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3</td><td>CC1(C)OC2(C)CCC1CC2=O</td><td>-4.258289858581356</td><td>19.419038492460288</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003049">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3118"><td></td><td><a href="/entries/PHUB003050">3-alpha-hydroxy-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-alpha-hydroxy-1,8-epoxy-p-menthane</td><td>PHUB003050</td><td>3118</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003050/image.svg" src="" /></td><td>WHIKIYRWRMRQNK-ZCUBBSJVSA-N</td><td></td><td>(5S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol</td><td>170.252</td><td></td><td></td><td></td><td>InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m0/s1</td><td>CC12CCC([C@@H](O)C1)C(C)(C)O2</td><td>-2.9003073681053992</td><td>14.767930114070873</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003050">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3119"><td></td><td><a href="/entries/PHUB003051">3-beta-hydroxy-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-beta-hydroxy-1,8-epoxy-p-menthane</td><td>PHUB003051</td><td>3119</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td>
9<span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003051/image.svg" src="" /></td><td>WHIKIYRWRMRQNK-CCNFQMFXSA-N</td><td></td><td>(5R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol</td><td>170.252</td><td></td><td></td><td></td><td>InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m1/s1</td><td>CC12CCC([C@H](O)C1)C(C)(C)O2</td><td>-2.9003073681053992</td><td>14.767930114070873</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003051">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3120"><td></td><td><a href="/entries/PHUB003052">3-oxo-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>3-oxo-1,8-epoxy-p-menthane</td><td>PHUB003052</td><td>3120</td><td>168.115029755</td><td>C<sub>10</sub>H<sub>16</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003052/image.svg" src="" /></td><td>RFXTXEOQEMTRHL-UHFFFAOYNA-N</td><td></td><td>1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-one</td><td>168.236</td><td></td><td></td><td></td><td>InChI=1/C10H16O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7H,4-6H2,1-3H3</td><td>CC12CCC(C(=O)C1)C(C)(C)O2</td><td>-4.2118568677570964</td><td>19.71151370506284</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003052">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id="3121"><td></td><td><a href="/entries/PHUB003053">4-hydroxy-1,8-cineole</a><span class="kind-marker"><span title="metabolite" class="label-metabolite"> </span></span></td><td>4-hydroxy-1,8-epoxy-p-menthane</td><td>PHUB003053</td><td>3121</td><td>170.13067982</td><td>C<sub>10</sub>H<sub>18</sub>O<sub>2</sub></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td><span class='wishart wishart-not-available'>Not Available</span></td><td>Terpenoid metabolites</td><td>Monoterpenoid metabolites</td><td><span class='wishart wishart-not-available'>Not Available</span></td><td></td><td class="structure"><img data-src="/structures/PHUB003053/image.svg" src="" /></td><td>UOAXJWKFKLGEOQ-UHFFFAOYSA-N</td><td></td><td>1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-ol</td><td>170.252</td><td></td><td></td><td></td><td>InChI=1S/C10H18O2/c1-8(2)10(11)6-4-9(3,12-8)5-7-10/h11H,4-7H2,1-3H3</td><td>CC12CCC(O)(CC1)C(C)(C)O2</td><td>-3.3767378748256305</td><td>13.6786971311714</td><td></td><td></td><td></td><td class="shower"><a class="btn-show" href="/entries/PHUB003053">Show Entry</a></td></tr><tr data-biomarker="none" data-kind="metabolite" id=
Line numbers count LF bytes from the start of the resource, as the search results do. Vendor segments are library code the classifier recognised; they are stored but not indexed. Bytes are shown as Latin1 characters, one per byte.