English Damion Dooley Raúl González Domínguez Pol Castellano-Escuder FOBI (Food-Biomarker Ontology) is composed of two interconnected sub-ontologies. One is a ”Food Ontology” consisting of raw foods and multiple-ingredient foods while the second is a ”Biomarker Ontology” containing food intake biomarkers classified by their chemical classes. These two sub-ontologies are conceptually independent but interconnected by different properties. This allows data and information regarding foods and food biomarkers to be visualized in a bidirectional way, going from metabolomics to nutritional data or vice versa. Potential applications of this ontology include the annotation of foods and biomarkers using a well-defined and consistent nomenclature, the standardized reporting of metabolomics workflows (e.g. metabolite identification, experimental design), or the application of different enrichment analysis approaches to analyze nutrimetabolomic data. http://creativecommons.org/licenses/by/4.0/ 1.5 Please cite FOBI project http://purl.obolibrary.org/obo/fobi where traditional citation is called for. However it is adequate that individual terms be attributed simply by use of the identifying PURL for the term, in projects that refer to them. ChemSpider HMDB KEGG PubChemCID InChIKey InChICode FOBI defaultLanguage Contributor Creator Description PubmedID alternative term has_obo_format_version FOBI:00422 BiomarkerOf FOBI:00423 HasBiomarker FOBI:00424 Contains FOBI:00425 IsIngredientOf 391274 C10796 442971 TYNQWWGVEGFKRU-AJDPQWBVSA-N 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 FOBI:030714 α-chaconine CHEBI:10219 4444647 C08591 5281235 DMASLKHVQRHNES-FKKUPVFPSA-N 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 FOBI:030754 β-cryptoxanthin CHEBI:10362 2006614 HMDB00062 C15025 2724480 PHIQHXFUZVPYII-LURJTMIESA-N InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1 FOBI:030706 l-carnitine CHEBI:11060 89 HMDB00375 C11457 91 QVWAEZJXDYOKEH-UHFFFAOYSA-N 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) FOBI:030415 3-(3-hydroxyphenyl)propionic acid CHEBI:1427 HMDB02780 C06562 9064 PFTAWBLQPZVEMU-DZGCQCFKSA-N 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 FOBI:030460 10457459; 11087482; 8717094; 11804530; 15602765; 19266552 10552784; 11087482; 24334093 10606541; 14518950; 14518966; 15137839 10691607; 10820089 10691607; 11600017 10691619; 11330794; 10552784; 10820090; 11087482; 16013828; 24334093 10794642 10820089 10820089; 10606541; 14518966; 11087482 10820089; 11087482 10820089; 11087482; 22327611 10820089; 16719535 10820090 10820090; 11087482; 8717094; 11804530; 15602765; 19266552 10820090; 16013828; 8067536; 10956077; 3425922; 15490130 11087482 11330794; 10552784; 10820090; 11087482; 16013828; 24334093 11513636; 10820089; 15479019 11999391; 10820089 11999391; 23815505 12744665 12848490 14518950; 15137839; 23815505 15182391 15453684; 10820089 15453684; 10820089; 11087482 16076138 16190627 16719535; 17439235 19397716; 22327611 22327611 25581439 25581439; 10820089; 11087482 25631389; 11087482; 11600017 3425922 3425922; 15490130 8067536 8717094 catechin CHEBI:15600 HMDB00956 C00898 | D00103 444305 FEWJPZIEWOKRBE-JCYAYHJZSA-N InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 FOBI:030630 tartaric acid CHEBI:15671 1113 HMDB00925 C01104 1145 UYPYRKYUKCHHIB-UHFFFAOYSA-N InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 FOBI:030711 CHEBI:15724 388363 HMDB00033 C00386 439224 | 6992100 CQOVPNPJLQNMDC-ZETCQYMHSA-N InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 FOBI:030687 CHEBI:15727 11374613 | 11570712 | 14351918 | 14363886 C02724 13597 PQBAWAQIRZIWIV-UHFFFAOYSA-N InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1 FOBI:030713 CHEBI:15761 4444102 HMDB05800 C01514 5280445 IQPNAANSBPBGFQ-UHFFFAOYSA-N 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 FOBI:030555 10552399; 12650585 10552853 10820084 11087455; 16819902; 24945796 11312761 12650585 15713039 16819902 17031999 22088277 22088277; 9550103 22327611 22344920 24812440 25591122 25591122; 9550103 9550103 9550103; 10820084 9550103; 11312761 CHEBI:15864 10675782 | 1091 HMDB00251 C00245 | D00047 1123 | 4068592 XOAAWQZATWQOTB-UHFFFAOYSA-N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) FOBI:030709 CHEBI:15891 394156 HMDB03000 C05432 446925 OAIJSZIZWZSQBC-GYZMGTAESA-N 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+ FOBI:030748 CHEBI:15948 15484224 C02824 | D02442 7533 HCAJEUSONLESMK-UHFFFAOYSA-N InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10) FOBI:030625 cyclamate CHEBI:15964 1405788 HMDB03164 C00852 1794427 CWVRJTMFETXNAD-JUHZACGLSA-N 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+/t11-,12-,14-,16+/m1/s1 FOBI:030397 3-caffeoylquinic acid CHEBI:16112 13760300 | 13835557 C01108 1057 WQGWDDDVZFFDIG-UHFFFAOYSA-N InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H FOBI:030432 16881674 CHEBI:16164 HMDB00207 | HMDB00573 C00712 445639 ZQPPMHVWECSIRJ-KTKRTIGZSA-N InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- FOBI:030741 CHEBI:16196 C03067 101 IAVREABSGIHHMO-UHFFFAOYSA-N InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H FOBI:030453 CHEBI:16207 15139441 | 4444051 HMDB05794 C00389 5280343 REFJWTPEDVJJIY-UHFFFAOYSA-N InChI=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 FOBI:030558 10554248; 10691619; 11032478; 9550103; 11312761 10554248; 10691619; 11330794; 11605763; 16013828; 22305355 10727812 10794622 10794622; 11032486 10794622; 9550103; 11032486 10794622; 9550103; 11032486; 16910719 10820084 10898604 10898604; 9550103 11032478 11312761 11330794; 16013828 11453754 11929309 11929309; 15137871; 10794622 11999391 11999391; 23815505 12033817 12188629; 10794622; 9550103; 11032486 12188629; 12033817 12207471; 9550103; 11312761 12452634; 15479019 12848490 14518966 14558771; 14690398; 14640564 15137871 15713039 16013828 16076138 16190627 16756378 17447783; 9550103 19397716 20949919 20949919; 11453754 22088277 22088277; 9550103 22327611 22344920 23815505 24143048 24812440 25591122 25591122; 9550103 9550103 9550103; 10820084 9550103; 10905727 9550103; 11312761 9950080 CHEBI:16243 25001 HMDB00801 C01607 26840 RLCKHJSFHOZMDR-UHFFFAOYSA-N 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) FOBI:08823 CHEBI:16285 4444237 C17147 5280633 CWVRJTMFETXNAD-NXLLHMKUSA-N 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+/t11-,12-,14+,16-/m1/s1 FOBI:030399 5-caffeoylquinic acid CHEBI:16384 780 HMDB00197 C00954 802 SEOVTRFCIGRIMH-UHFFFAOYSA-N 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) FOBI:030704 CHEBI:16411 9307589 C04831 11132470 WTGXAWKVZMQEDA-XGHDNVSXSA-N 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/t9-,10-,11+,12-,14+,15?/m1/s1 FOBI:030737 2-β-d-glucopyranosyloxy-4-hydroxy-7-methoxy-1,4-benzoxazin-3-one CHEBI:16603 13325157 | 568 HMDB00562 C00791 | D03600 588 DDRJAANPRJIHGJ-UHFFFAOYSA-N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) FOBI:030708 CHEBI:16737 HMDB00929 C00078 | D00020 6305 | 6923516 QIVBCDIJIAJPQS-VIFPVBQESA-N 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)/t9-/m0/s1 FOBI:030701 CHEBI:16828 14879126 | 16373679 | 331 HMDB01895 C00805 | D00097 338 YGSDEFSMJLZEOE-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) FOBI:030318 2-hydroxybenzoic acid CHEBI:16914 16382018 | 234 HMDB00056 C00099 | D07561 239 | 4755801 UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) FOBI:030691 β-alanine CHEBI:16958 13200746 HMDB00873 C06730 9958 ZBCATMYQYDCTIZ-UHFFFAOYSA-N InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 FOBI:030447 16881674 CHEBI:17254 HMDB03306 C00774 4788 VGEREEWJJVICBM-UHFFFAOYSA-N 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 FOBI:030568 11999391 11999391; 23815505 23815505 CHEBI:17276 HMDB00159 C00079 | D00021 6140 | 6925665 COLNVLDHVKWLRT-QMMMGPOBSA-N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 FOBI:030692 CHEBI:17295 4444066 C00758 5280371 GIJHDGJRTUSBJR-UHFFFAOYSA-N InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H FOBI:030523 CHEBI:17377 HMDB00755 C03672 9378 JVGVDSSUAVXRDY-UHFFFAOYSA-N 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) FOBI:030694 p-hydroxyphenyllactic acid CHEBI:17385 1266077 HMDB01964 1549111 QAIPRVGONGVQAS-RQOWECAXSA-N 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- FOBI:030392 caffeic acid CHEBI:17395 HMDB0000607 C02823 129627537 FDJOLVPMNUYSCM-WZHZPDAFSA-L InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 FOBI:030744 cyanocobalamin CHEBI:17439 16253543 HMDB00440 C05593 12122 FVMDYYGIDFPZAX-UHFFFAOYSA-N InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FOBI:030369 CHEBI:17445 4444068 HMDB02338 C00814 5280373 WUADCCWRTIWANL-UHFFFAOYSA-N 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 FOBI:030547 15712520 16013828 17227055 8789715 CHEBI:17574 4444129 HMDB00561 C02094 5280489 OENHQHLEOONYIE-JLTXGRSLSA-N 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/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ FOBI:030747 β-carotene CHEBI:17579 123 | 16234504 HMDB11718 C00633 126 RGHHSNMVTDWUBI-UHFFFAOYSA-N InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H FOBI:030454 12744665 CHEBI:17597 393368 HMDB00954 C01494 445858 709 KSEBMYQBYZTDHS-HWKANZROSA-N 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+ FOBI:030406 10554264 10820069 11330794; 20919719; 16013828 11929309 11929309; 15137871 11999391 11999391; 20919719 12033817 12059140 12696980 12744665 12848490 15137871 15233525; 11330794; 16013828 15453684; 12033817 15453684; 16076138 15713039 16013828; 25745209; 25308670; 10956077; 12617582; 3425922; 17109870; 25664918 16076138 16478246 17199318 17227056; 17455952; 25858540 17307195 17307195; 17468851 17447783 18558694 18558694; 15769171 20919719 21538847 21538847; 25646848 22344920 24143048 25308670; 17109870 25410263 25410263; 11032481 25476327; 24424402; 21241992 25646848 25858540 25858540; 10606549 25858540; 17455952 3425922; 17109870; 25664918 3425922; 25664918 CHEBI:17620 4444158 C02564 5280527 CLGNQAIRBLDHIN-HWKANZROSA-N 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+ FOBI:030674 feruloylglycine CHEBI:17691 388383 HMDB02670 C00509 439246 FTVWIRXFELQLPI-ZDUSSCGKSA-N 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/t13-/m0/s1 FOBI:030514 naringenin CHEBI:17846 13285340 | 13839082 HMDB01858 C01468 2879 IWDCLRJOBJJRNH-UHFFFAOYSA-N InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 FOBI:030698 CHEBI:17847 83292 HMDB06344 C04148 92258 JFLIEFSWGNOPJJ-JTQLQIEISA-N InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1 FOBI:030696 phenylacetylglutamine CHEBI:17884 HMDB00158 C00082 | D00022 6057 | 6942100 OUYCCCASQSFEME-QMMMGPOBSA-N InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 FOBI:030697 CHEBI:17895 HMDB00258 C00089 | D00025 5988 CZMRCDWAGMRECN-UGDNZRGBSA-N InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 FOBI:030757 CHEBI:17992 C04720 2358 GDNZNIJPBQATCZ-UHFFFAOYSA-N 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 FOBI:030736 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one CHEBI:18048 4444070 HMDB05808 C00858 5280378 HKQYGTCOTHHOMP-UHFFFAOYSA-N 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 FOBI:030550 16898863 8789715 CHEBI:18088 10658403 | 451 HMDB00714 C01586 464 QIAFMBKCNZACKA-UHFFFAOYSA-N 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) FOBI:030340 hippuric acid CHEBI:18089 HMDB00725 C01157 5810 | 6971053 PMMYEEVYMWASQN-DMTCNVIQSA-N InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 FOBI:08828 4-hydroxyproline CHEBI:18095 124 | 14485716 HMDB00020 C00642 127 XQXPVVBIMDBYFF-UHFFFAOYSA-N InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FOBI:030370 10820069 16013828 16013828; 25308670 23411296 25308670 CHEBI:18101 11613535 | 14598679 C01987 5801 CDAWCLOXVUBKRW-UHFFFAOYSA-N InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 FOBI:030671 CHEBI:18112 HMDB00875 C01004 5570 WWNNZCOKKKDOPX-UHFFFAOYSA-N InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 FOBI:030712 trigonelline CHEBI:18123 553146 HMDB02641 C01772 637540 PMOWTIHVNWZYFI-AATRIKPKSA-N InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ FOBI:030383 o-coumaric acid CHEBI:18125 11181185 | 11316606 | 13623450 | 13837760 | 14453269 HMDB00957 C00090 | C01785 | C15571 289 YCIMNLLNPGFGHC-UHFFFAOYSA-N InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H FOBI:030444 16881674 CHEBI:18135 HMDB00194 C01262 112072 | 6992114 MYYIAHXIVFADCU-QMMMGPOBSA-N InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1 FOBI:030688 CHEBI:18323 13860434 HMDB12308 C00755 | D00091 1183 MWOOGOJBHIARFG-UHFFFAOYSA-N InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 FOBI:030457 10606549 11087455; 25476327 12744665 15233525; 16013828 16013828 CHEBI:18346 4444100 HMDB02124 C01477 5280443 KZNIFHPLKGYRTM-UHFFFAOYSA-N 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 FOBI:030553 10727812 10905727 11087455; 16819902 11312761 15713039 16013828 16819902 17031999 22088277 22088277; 9550103 22327611 22344920 25591122 25591122; 9550103 9550103 9550103; 11312761 CHEBI:18388 HMDB04284 C06044 10393 YCCILVSKPBXVIP-UHFFFAOYSA-N InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 FOBI:030579 tyrosol CHEBI:1879 82667 C11584 91553 ARQXEQLMMNGFDU-JHZZJYKESA-N 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 FOBI:030528 4-methylumbelliferone glucuronide CHEBI:1904 76536 C11585 84843 FUYLLJCBCKRIAL-UHFFFAOYSA-N 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) FOBI:030529 CHEBI:1905 69081 C10809 76617 KVVSCMOUFCNCGX-UHFFFAOYSA-N 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 FOBI:030718 5-n-pentadecylresorcinol CHEBI:2120 HMDB01860 C13747 4687 QUNWUDVFRNGTCO-UHFFFAOYSA-N InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) FOBI:030655 paraxanthine CHEBI:25858 HMDB00779 3848 VOXXWSYKYCBWHO-UHFFFAOYSA-N InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) FOBI:030693 phenyllactic acid CHEBI:25998 4444437 HMDB01388 C06427 5280934 DTOSIQBPPRVQHS-PDBXOOCHSA-N InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- FOBI:030740 α-linolenic acid CHEBI:27432 61452 HMDB00821 C05598 68144 UTYVDVLMYQPLQB-UHFFFAOYSA-N InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) FOBI:030695 CHEBI:27480 4444421 HMDB02789 C06098 5280899 JKQXZKUSFCKOGQ-QAYBQHTQSA-N 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 FOBI:030750 CHEBI:27547 58494 HMDB00479 C01152 64969 | 6971061 JDHILDINMRGULE-LURJTMIESA-N 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 FOBI:030690 3-methylhistidine CHEBI:27596 HMDB01847 C07481 | D00528 2519 RYYVLZVUVIJVGH-UHFFFAOYSA-N InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 FOBI:030658 CHEBI:27732 643318 HMDB00955 C10470 736186 QURCVMIEKCOAJU-HWKANZROSA-N 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+ FOBI:030407 12744665 CHEBI:27794 HMDB00763 C05635 1826 DUUGKQCEGZLZNO-UHFFFAOYSA-N 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) FOBI:030705 5-hydroxyindole-3-acetic acid CHEBI:27823 392875 HMDB03747 C03582 445154 LUKBXSAWLPMMSZ-OWOJBTEDSA-N 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+ FOBI:030590 10564012 11312807 11330794; 23871038; 24054241; 16013828; 15998130; 9404057; 15315376; 10691619; 10552542; 12010007; 11605763; 8651480; 22305355; 24334093; 24585496 11330794; 23871038; 24054241; 16013828; 9404057; 10552542; 24334093 15941348 16013828 16076138 17227055 25581439 9404057 9404057; 24334093 trans-resveratrol CHEBI:27881 resveratrol 14881358 | 553123 C01712 637517 ZQPPMHVWECSIRJ-MDZDMXLPSA-N InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ FOBI:08824 CHEBI:27997 4444448 HMDB03217 C06563 5280961 TZBJGXHYKVUXJN-UHFFFAOYSA-N 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 FOBI:030537 10552401 10552401; 10552547 12597624; 16898863 12597624; 16898863; 9162309 12597624; 19166724; 16898863 12597624; 9492334; 16898863; 9162309 15171918 15171918; 17313151; 24498818; 10552401; 12607743 15171918; 24835762; 9848519; 19530716; 10552401; 10552547; 12607743 15186105 15712520 16898863 17227055 18729461; 16898863 18729461; 8789715 24498818 24498818; 10552401 24498818; 19530716; 9492334; 10552401 24835762; 10552547 24835762; 17386499; 24498818; 19530716; 12607743 24835762; 19530716; 10552401 24835762; 9848519; 19530716; 10552401; 10552547 24835762; 9848519; 24498818; 19530716; 9492334; 10552401; 10552547 8789715 9492334 9848519; 24498818 9848519; 24498818; 10552547; 12607743 CHEBI:28088 HMDB02183 C06429 445580 MBMBGCFOFBJSGT-KUBAVDMBSA-N 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)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- FOBI:030743 docosahexaenoic acid CHEBI:28125 HMDB01889 C07130 | D00371 2153 ZFXYFBGIUFBOJW-UHFFFAOYSA-N InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) FOBI:030656 CHEBI:28177 4445025 HMDB03312 C10208 5281708 ZQSIJRDFPHDXIC-UHFFFAOYSA-N 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 FOBI:030530 10552401 10552401; 10552547 10552547 12597624; 16898863 12597624; 16898863; 9162309 12597624; 19166724; 16898863 12597624; 9492334; 16898863; 9162309 15171918 15171918; 17313151; 24498818; 10552401; 12607743 15171918; 9848519; 19530716; 10552401; 10552547; 12607743 15186105 15712520 16898863 17227055 17386499; 24498818; 19530716; 12607743 18729461; 16898863 18729461; 8789715 19530716; 10552401 24498818 24498818; 10552401 24498818; 19530716; 9492334; 10552401 8789715 9492334 9848519; 19530716; 10552401; 10552547 9848519; 24498818 9848519; 24498818; 10552547; 12607743 9848519; 24498818; 19530716; 9492334; 10552401; 10552547 CHEBI:28197 HMDB01999 C06428 | D08061 446284 JAZBEHYOTPTENJ-JLNKQSITSA-N InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15- FOBI:030742 eicosapentaenoic acid CHEBI:28364 59150 HMDB03236 C06543 65727 JVKYZPBMZPJNAJ-OQFNDJACSA-N 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 FOBI:030716 CHEBI:28374 14600741 HMDB00669 C05852 11970 CCVYRRGZDBSHFU-UHFFFAOYSA-N InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FOBI:030368 2-hydroxyphenylacetic acid CHEBI:28478 4444395 HMDB05801 C05903 5280863 IYRMWMYZSQPJKC-UHFFFAOYSA-N 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 FOBI:030565 10691619; 11032478; 9550103; 11312761 10691619; 11330794; 11605763 10727812 10794622 10794622; 11032486 10794622; 9550103; 11032486 10794622; 9550103; 11032486; 16910719 10898604 10898604; 9550103 10905727 11032478 11312761 11330794 11513636; 12452634 11929309 11929309; 15137871; 10794622 12033817 12188629; 10794622; 9550103; 11032486 12188629; 12033817 12207471; 9550103; 11312761 12517117 12848490 15137871 15186105 16190627 16756378 17447783; 9550103 19397716 22088277 22088277; 9550103 22327611 24143048 25591122 25591122; 9550103 9550103 9550103; 11312761 CHEBI:28499 10658433 | 11337764 | 13834869 | 14859414 | 447 HMDB01398 C01502 | C15572 | D00117 460 LHGVFZTZFXWLCP-UHFFFAOYSA-N InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 FOBI:030452 CHEBI:28591 C05616 19829 KWCCUYSXAYTNKA-UHFFFAOYSA-N InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12) FOBI:030358 3-methylgallic acid CHEBI:28647 388775 HMDB00660 C02336 439709 RFSUNEUAIZKAJO-ARQDHWQXSA-N InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 FOBI:030759 CHEBI:28757 11181178 HMDB02825 C07480 5429 YAPQBXQYLJRXSA-UHFFFAOYSA-N 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) FOBI:030657 CHEBI:28946 10732368 | 132 | 15957696 HMDB00500 C00156 135 135 | 3702506 FJKROLUGYXJWQN-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FOBI:030320 10606549 10820069 11929309 11929309; 15137871 11999391 12059140 12059140; 24334093 12059140; 25646848 12744665 12848490 15137871 15233525; 16013828; 24334093 15713039 16013828; 24334093 16013828; 25745209; 12617582; 25664918 17227056 19397716 21241992 22344920 25646848 25664918 CHEBI:30763 16308565 HMDB02466 C00587 7420 IJFXRHURBJZNAO-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) FOBI:030319 12696980 25745209; 12617582 CHEBI:30764 305 HMDB00094 C00158 | D00037 19782904 | 311 | 88113319 KRKNYBCHXYNGOX-UHFFFAOYSA-N InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) FOBI:030631 CHEBI:30769 361 HMDB05807 C01424 370 LNTHITQWFMADLM-UHFFFAOYSA-N InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) FOBI:030352 11330794; 20919719; 16013828; 24334093 11929309 11999391 11999391; 20919719 12033817 12059140 12059140; 20919719 12059140; 24334093 12744665 12848490 14518966 15233525; 10691619; 11330794; 16013828; 22305355; 24334093 15453684; 12059140 15453684; 12059140; 12033817 15713039 16013828; 25745209; 12617582; 16366710; 25664918 16190627 16218660 16366710 17307195 17307195; 17468851 20919719 22344920 24143048 25646848 25664918 8717094 8717094; 15602765 CHEBI:30778 15694084 HMDB00484 C06672 8468 WKOLLVMJNQIZCI-UHFFFAOYSA-N InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) FOBI:030343 10552399; 10820069 10606549 10820069 11087455; 25476327; 24424402; 21241992 11330794; 16013828; 24334093 12059140 12059140; 24334093 12059140; 25646848 12517117 12744665 12848490 15233525; 11330794; 16013828; 24334093 15713039 16013828; 25745209; 25308670; 12617582; 3425922; 25664918 16478246 17227056 17307195 17307195; 17468851 19397716 22344920 25308670 25646848 3425922; 25664918 CHEBI:30816 391783 C12138 443650 XENHPQQLDPAYIJ-PEVLUNPASA-O 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 FOBI:030634 delphinidin 3-glucoside CHEBI:31463 391785 C12140 443652 PXUQTDZNOHRWLI-OXUVVOBNSA-O 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 FOBI:030635 malvidin 3-glucoside CHEBI:31799 391782 C12137 443648 ABVCUBUIXWJYSE-GQUPQBGVSA-O 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 FOBI:030636 pelargonidin 3-glucoside CHEBI:31967 10685695 C12283 5143 CVHZOJJKTDOEJC-UHFFFAOYSA-N InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) FOBI:030626 CHEBI:32111 64561 C12285 71485 BAQAVOSOZGMPRM-QBMZZYIRSA-N InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1 FOBI:030627 CHEBI:32159 553147 HMDB01713 C12621 637541 KKSDGJDHHZEWEP-SNAWJCMRSA-N InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+ FOBI:030384 m-coumaric acid CHEBI:32357 HMDB02259 10465 KEMQGTRYUADPNZ-UHFFFAOYSA-N InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19) FOBI:030739 CHEBI:32365 553148 HMDB02035 C00811 637542 NGSWKAQJJWESNS-ZZXKWVIFSA-N InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ FOBI:030385 p-coumaric acid CHEBI:32374 97287 HMDB11105 C16365 108214 RDZNZFGKEVDNPK-UHFFFAOYSA-N 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) FOBI:030667 5-acetylamino-6-formylamino-3-methyluracil CHEBI:32643 4444245 HMDB03797 C04056 5280644 JBYXPOFIGCOSSB-GOJKSUSPSA-N InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9- FOBI:08826 rumenic acid CHEBI:32798 HMDB02199 C01744 10394 NMHMNPHRMNGLLB-UHFFFAOYSA-N 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) FOBI:030416 3-(4-hydroxyphenyl)propionic acid CHEBI:32980 82594 HMDB02209 C14131 91469 ADFCQWZHKCXPAJ-GFCCVEGCSA-N 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 FOBI:030544 CHEBI:34741 4925358 6419725 ANVAOWXLWRTKGA-NTXLUARGSA-N 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+/t37-/m0/s1 FOBI:030746 α-carotene CHEBI:35147 HMDB04827 C10172 115244 CMUNUTVVOOHQPW-LURJTMIESA-N InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1 FOBI:030685 proline betaine CHEBI:35280 1265933 1548910 LUKBXSAWLPMMSZ-UPHRSURJSA-N 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- FOBI:030591 CHEBI:36002 4444571 C08367 5281127 UWHZIFQPPBDJPM-BQYQJAHWSA-N InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+ FOBI:08825 CHEBI:36023 HMDB13173 7424 UYEMGAFJOZZIFP-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) FOBI:030330 25745209; 12617582 CHEBI:39912 123979 WMCQWXZMVIETAO-UHFFFAOYSA-N InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16) FOBI:030651 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid CHEBI:41254 HMDB00682 10258 BXFFHSIDQOFMLE-UHFFFAOYSA-N InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12) FOBI:030702 CHEBI:43355 392801 445052 SKCKOFZKJLZSFA-BXKVDMCESA-N InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1 FOBI:030756 rhamnitol CHEBI:45530 HMDB02108 24417 | 7058174 IDIDJDIHTAOVLG-VKHMYHEASA-N InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 FOBI:030678 CHEBI:45658 C10255 185914 HITJFUSPLYBJPE-UHFFFAOYSA-N 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 FOBI:030600 CHEBI:4582 58575 HMDB03153 C09731 65064 WMBWREPUVVBILR-WIYYLYMNSA-N 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 FOBI:030489 epigallocatechin-3-gallate CHEBI:4806 4508619 HMDB03045 5351619 | 57509571 SSISHJJTAXXQAX-ZETCQYMHSA-N 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 FOBI:030684 CHEBI:4828 308986 HMDB00423 C10447 348154 DZAUWHJDUNRCTF-UHFFFAOYSA-N 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) FOBI:030422 dihydrocaffeic acid CHEBI:48400 61660 HMDB01991 C16353 68374 PFWLFWPASULGAN-UHFFFAOYSA-N InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) FOBI:030654 CHEBI:48991 C16700 8768 IBGBGRVKPALMCQ-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H FOBI:030455 CHEBI:50205 83153 HMDB00001 7020397 | 92105 BRMWTNUJHUMWMS-LURJTMIESA-N InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 FOBI:030689 1-methylhistidine CHEBI:50599 HMDB00118 C05582 1738 QRMZSPFSDQBLIX-UHFFFAOYSA-N 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) FOBI:030380 10820069 23411296 25745209; 12617582 CHEBI:545959 homovanillic acid 5406074 7045767 RDHQFKQIGNGIED-MRVPVSSYSA-N InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 FOBI:030707 acetyl-l-carnitine CHEBI:57589 4445093 C10468 5281780 UFCLZKMFXSILNL-PSEXTPKNSA-N 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+/t19-,20-,23-,25+/m1/s1 FOBI:030400 3,4-dicaffeoylquinic acid CHEBI:5995 4444973 HMDB02655 C10084 5281654 IZQSVPBOUDKVDZ-UHFFFAOYSA-N 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 FOBI:030562 10691619 10691619; 11312761 11312761 12848490 19397716 20949919 CHEBI:6052 isorhamnetin 11181189 | 63805 HMDB01886 C16357 70639 GMSNIKWWOQHZGF-UHFFFAOYSA-N 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) FOBI:030653 3-methylxanthine CHEBI:62207 26511 C15770 28495 COVOPZQGJGUPEY-UHFFFAOYSA-N InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H FOBI:030732 2,4-dihydroxy-1,4-benzoxazin-3-one CHEBI:63558 285673 C15769 322636 VMQBFYRBJKDACN-UHFFFAOYSA-N InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10) FOBI:030726 2-hydroxy-1,4-benzoxazin-3-one CHEBI:63559 12575 LBKFGYZQBSGRHY-UHFFFAOYSA-N InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11 FOBI:030346 isovanillic acid CHEBI:63798 187488 IQWLPDPKVFZEOK-UHFFFAOYSA-N 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) FOBI:08681 3-(3-hydroxyphenyl)propionic acid sulfate CHEBI:64414 14080972 | 510 HMDB00744 C00711 | C03668 | D04843 20130941 | 525 BJEPYKJPYRNKOW-UHFFFAOYSA-N InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) FOBI:030632 CHEBI:6650 66312 HMDB02392 C16939 73659 MDZKJHQSJHYOHJ-LLICELPBSA-N 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 FOBI:030753 CHEBI:66682 HMDB02085 C10833 10742 JMSVCTWVEWCHDZ-UHFFFAOYSA-N 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) FOBI:030349 10820069 11330794; 20919719; 16013828; 24334093 11999391 11999391; 20919719 12059140 12059140; 20919719 12059140; 24334093 12059140; 25646848 12744665 15233525; 11330794; 16013828; 24334093 15713039 16013828; 25745209; 25308670; 12617582; 3425922; 25664918 16478246 17227056 17307195 17307195; 17468851 20919719 22344920 24424402; 21241992 25308670 25646848 3425922; 25664918 CHEBI:68329 62926 HMDB03099 C16359 69726 QFDRTQONISXGJA-UHFFFAOYSA-N 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) FOBI:030659 CHEBI:68441 72464 HMDB10738 C16358 80220 MVOYJPOZRLFTCP-UHFFFAOYSA-N 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) FOBI:030652 1-methylxanthine CHEBI:68444 63527 HMDB01857 70346 OTSBKHHWSQYEHK-UHFFFAOYSA-N 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) FOBI:030662 CHEBI:68447 82720 HMDB11103 C16356 91611 NOFNCLGCUJJPKU-UHFFFAOYSA-N 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) FOBI:030663 CHEBI:68449 9338 AKEUNCKRJATALU-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) FOBI:030328 25745209; 12617582 CHEBI:68465 2341024 3083879 MZPWKJZDOCIALD-UHFFFAOYSA-N InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10) FOBI:030446 catechol sulfate CHEBI:68505 74994 HMDB01982 C16360 83126 HMLZLHKHNBLLJD-UHFFFAOYSA-N 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) FOBI:030664 CHEBI:68531 74680 HMDB05784 82755 JUUBCHWRXWPFFH-UHFFFAOYSA-N InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 FOBI:030582 10552399; 12650585; 10820069 11087455; 25655098; 16608197; 25476327; 16819902; 24945796; 24424402; 19166732 12537439; 16608222; 15713026; 10908812; 16968073; 23411296 12650585; 10820069 24334093 25655098; 10908812; 16819902 CHEBI:68889 71754 HMDB02123 C16361 79437 BYXCFUMGEBZDDI-UHFFFAOYSA-N 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) FOBI:030665 CHEBI:691622 1,3,7-trimethyluric acid 5360404 6992261 XLUAWXQORJEMBD-YUMQZZPRSA-N 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)/t7-,8-/m0/s1 FOBI:030669 cyclo(l-prolyl-l-valyl) CHEBI:69439 HMDB06116 450268 XDOFWFNMYJRHEW-UHFFFAOYSA-N 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) FOBI:030342 3-hydroxyhippuric acid CHEBI:70824 133104 151012 ZMHLUFWWWPBTIU-UHFFFAOYSA-N 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) FOBI:030341 4-hydroxyhippuric acid CHEBI:71018 2341148 HMDB10313 3084023 JSCWDKKMLIQCMR-CDHFTJPESA-N InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1 FOBI:030321 2-hydroxybenzoic acid glucuronide CHEBI:73961 C16759 40424388 | 9793905 ZFAHNWWNDFHPOH-YFKPBYRVSA-N 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 FOBI:030676 CHEBI:74077 C17639 122738 XFZJEEAOWLFHDH-NFJBMHMQSA-N 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 FOBI:030490 CHEBI:75632 4477252 5318759 FNTJVYCFNVUBOL-ZUGPOPFOSA-N 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 FOBI:030566 10995297 12381146 kaempferol 3-glucuronide CHEBI:75721 8429271 10253785 JDOFZOKGCYYUER-ZFORQUDYSA-N 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)/t16-,17-,18+,19-,21+/m0/s1 FOBI:030556 luteolin 3'-glucuronide CHEBI:75726 58567 65056 LSHVYAFMTMFKBA-FPOVZHCZSA-N 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 FOBI:030485 epicatechin-3-gallate CHEBI:76126 553361 C00482 10743 637775 PCMORTLOPMLEFB-ONEGZZNKSA-N InChI=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+ FOBI:030412 10554264 10820069 11999391 11999391; 20919719 15233525; 16013828; 24334093 16013828; 25308670; 12617582; 3425922; 17109870; 25664918 17199318 20919719 20919719; 16013828; 24334093 24334093 25308670; 17109870 25410263 25410263; 11032481 25646848 3425922; 17109870; 25664918 3425922; 25664918 CHEBI:77131 sinapic acid 4475737 C15772 5316752 OUSLYTBGQGKTME-BJPDSMLBSA-N 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/t8-,9-,10+,11-,13+,14?/m1/s1 FOBI:030733 2-β-d-glucopyranosyloxy-4-hydroxy-1,4-benzoxazin-3-one CHEBI:80091 HMDB05056 C18166 115089 DWONJCNDULPHLV-HOTGVXAUSA-N 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 FOBI:030615 CHEBI:81556 4445034 C10275 5281718 HSTZMXCBWJGKHG-CUYWLFDKSA-N 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 FOBI:030605 CHEBI:8198 43109 C19331 47364 SPTHHTGLGVZZRH-UHFFFAOYSA-N InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 FOBI:030710 CHEBI:82392 HMDB00439 21863 KSPQDMRTZZYQLM-UHFFFAOYSA-N 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) FOBI:030649 CHEBI:82912 HMDB11635 4615423 WGNAKZGUSRVWRH-UHFFFAOYSA-N InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10) FOBI:030699 CHEBI:82914 86583349 KAVKAZLSONPCRU-UHFFFAOYSA-N 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) FOBI:030603 dihydroresveratrol 3-sulfate CHEBI:84038 86583350 NXXGJRZWYCYPCB-HBWRTXEVSA-N 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)/t15-,16-,17+,18-,20+/m0/s1 FOBI:030601 dihydroresveratrol 3-glucuronide CHEBI:84039 25113755 DULQFFCIVGYOFH-OWOJBTEDSA-N 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+ FOBI:030596 trans-resveratrol 3-sulfate CHEBI:84040 144333 C08269 164642 MUNWAHDYFVYIKH-RITPCOANSA-N 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 FOBI:030686 4-hydroxyproline betaine CHEBI:85533 65230 HMDB0001871 HMDB01871 C09727 72276 PFTAWBLQPZVEMU-UKRRQHHQSA-N 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 FOBI:030461 10457459; 11087482; 8717094; 11804530; 20109129; 15602765; 19266552 10552763; 14518950; 15137839; 23815505 10552784; 11087482; 24334093 10606541; 14518950; 14518966; 15137839 10691619; 11330794; 10552784; 10820090; 11087482; 16013828; 24334093 10794642 10820089 10820089; 10606541; 14518966; 11087482 10820089; 11087482 10820089; 11087482; 22327611 10820089; 11210120; 16719535 10820089; 16719535 10820090 10820090; 11087482; 8717094; 11804530; 20109129; 15602765; 19266552 10820090; 16013828; 8067536; 3425922; 15490130 10820090; 17439235 11087482 11087482; 11600017 11210120; 16719535; 17439235 11261721 11330794; 10552784; 10820090; 11087482; 16013828; 24334093 11513636; 10820089; 15630226; 15479019 11600017 11999391; 10820089 11999391; 23815505 12744665 12848490 15182391 15453684; 10820089 15453684; 10820089; 11087482 19397716; 22327611 22327611 23101762 25581439 25581439; 10820089; 11087482 3425922 3425922; 15490130 8067536 8717094 CHEBI:90 epicatechin HMDB00840 C07588 10253 ONJSZLXSECQROL-UHFFFAOYSA-N 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) FOBI:08827 CHEBI:9008 2-hydroxyhippuric acid 59019 C10826 65576 XYNPYHXGMWJBLV-VXPJTDKGSA-N 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 FOBI:030717 CHEBI:9629 FOBI:0001 FOBI:0001 Foods FOBI:0018 FOBI:0018 Unfermented milk products FOBI:0021 FOBI:0021 Fermented alcohols FOBI:0024 FOBI:0024 Infusions FOBI:0048 FOBI:0048 Fruits and vegetables FOBI:007928 FOBI:007928 blanquette FOBI:007936 FOBI:007936 vegetarian bolognese FOBI:007943 FOBI:007943 vegetarian fajitas FOBI:007945 FOBI:007945 filled FOBI:007950 FOBI:007950 vegetarian lasagne FOBI:007956 FOBI:007956 vegetarian pizza FOBI:007960 FOBI:007960 vegetarian quiche FOBI:007974 FOBI:007974 vegetarian taco FOBI:007978 FOBI:007978 meat wrap FOBI:007979 FOBI:007979 vegetarian wrap FOBI:007981 FOBI:007981 vegetarian chilli FOBI:007984 FOBI:007984 vegetarian curry FOBI:007986 FOBI:007986 vegetarian omelette FOBI:0092 FOBI:0092 Dark yellow vegetables FOBI:0099 FOBI:0099 Fat vegetables FOBI:0101 FOBI:0101 Fruity vegetables FOBI:0125 FOBI:0125 Onion family vegetables FOBI:0135 FOBI:0135 Nuts and legumes FOBI:0142 FOBI:0142 cereal FOBI:0145 FOBI:0145 Whole grain cereal products FOBI:0148 FOBI:0148 wholegrain FOBI:01501 FOBI:01501 Biomarkers FOBI:0166 FOBI:0166 Baking goods FOBI:0168 FOBI:0168 Confectioneries FOBI:0185 FOBI:0185 Lean meat FOBI:0193 FOBI:0193 Red meat ZXNABXFYKZWAPQ-UHFFFAOYSA-N InChI=1S/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) FOBI:030322 FOBI:030322 3-hydroxybenzoic acid glucuronide DKNOHNCMCYDVLT-UHFFFAOYSA-N 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) FOBI:030323 FOBI:030323 4-hydroxybenzoic acid glucuronide 8373808 10198308 MOODSJOROWROTO-UHFFFAOYSA-N InChI=1S/C7H6O6S/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12) FOBI:030324 FOBI:030324 2-hydroxybenzoic acid sulfate 19994151 21126437 MZYPOJMKJHCOQG-UHFFFAOYSA-N 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) FOBI:030325 FOBI:030325 3-hydroxybenzoic acid sulfate 18690341 RJTYSXVYCZAUHE-UHFFFAOYSA-N 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) FOBI:030326 FOBI:030326 4-hydroxybenzoic acid sulfate 1446 1491 UIAFKZKHHVMJGS-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11) FOBI:030327 FOBI:030327 2,4-dihydroxybenzoic acid 71 HMDB01856 C00230 72 YQUVCSBJEUQKSH-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) FOBI:030329 FOBI:030329 3,4-dihydroxybenzoic acid 71316220 CXNFDJSOAJNKSU-CDHFTJPESA-N 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 FOBI:030331 FOBI:030331 3,4-dihydroxybenzoic acid 3-glucuronide NLCBCVGRBFNEJE-CDHFTJPESA-N 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 FOBI:030332 FOBI:030332 3,4-dihydroxybenzoic acid 4-glucuronide LEONNYUSLXUBTI-CDHFTJPESA-N 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 FOBI:030333 FOBI:030333 3,5-dihydroxybenzoic acid glucuronide 71316222 GSFKEOSQCKWCLH-UHFFFAOYSA-N 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) FOBI:030336 FOBI:030336 3,4-dihydroxybenzoic acid 3-sulfate 195945 NGQYUDIZIPNWJV-UHFFFAOYSA-N 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) FOBI:030337 FOBI:030337 3,4-dihydroxybenzoic acid 4-sulfate NDZHPENMJGDGPX-UHFFFAOYSA-N 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) FOBI:030338 FOBI:030338 3,5-dihydroxybenzoic acid sulfate BSTDQIXKAVCPLC-JLERCCTOSA-N InChI=1S/C14H16O10/c1-22-7-4-5(2-3-6(7)15)13(21)24-14-10(18)8(16)9(17)11(23-14)12(19)20/h2-4,8-11,14-18H,1H3,(H,19,20)/t8-,9-,10+,11-,14?/m0/s1 FOBI:030344 FOBI:030344 vanillic acid glucuronide 382946 TXRKUXPAEPOCIX-UHFFFAOYSA-N 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) FOBI:030345 FOBI:030345 vanillic acid sulfate HATMKBLUSXVYDS-JLERCCTOSA-N InChI=1S/C14H16O10/c1-22-7-3-2-5(4-6(7)15)13(21)24-14-10(18)8(16)9(17)11(23-14)12(19)20/h2-4,8-11,14-18H,1H3,(H,19,20)/t8-,9-,10+,11-,14?/m0/s1 FOBI:030347 FOBI:030347 isovanillic acid glucuronide VSFFJSSUGMYRMP-UHFFFAOYSA-N 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) FOBI:030348 FOBI:030348 isovanillic acid sulfate WOGNQDHJFYPQMD-YGMDGNCASA-N 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 FOBI:030350 FOBI:030350 syringic acid glucuronide RUXRRHGJTRVOSL-UHFFFAOYSA-N 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) FOBI:030351 FOBI:030351 syringic acid sulfate WGYCQDRFPFTOJY-UHFFFAOYSA-N InChI=1S/C13H14O11/c14-4-1-3(11(19)20)2-5(6(4)15)23-13-9(18)7(16)8(17)10(24-13)12(21)22/h1-2,7-10,13-18H,(H,19,20)(H,21,22) FOBI:030353 FOBI:030353 gallic acid 3-glucuronide DSZHBCQGMXJFGB-UHFFFAOYSA-N InChI=1S/C13H14O11/c14-4-1-3(11(19)20)2-5(15)9(4)23-13-8(18)6(16)7(17)10(24-13)12(21)22/h1-2,6-8,10,13-18H,(H,19,20)(H,21,22) FOBI:030354 FOBI:030354 gallic acid 4-glucuronide GDGXJKFVYIFICY-UHFFFAOYSA-N InChI=1S/C7H6O8S/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h1-2,8-9H,(H,10,11)(H,12,13,14) FOBI:030355 FOBI:030355 gallic acid 3-sulfate DMNOQQUULVKPTE-UHFFFAOYSA-N InChI=1S/C7H6O8S/c8-4-1-3(7(10)11)2-5(9)6(4)15-16(12,13)14/h1-2,8-9H,(H,10,11)(H,12,13,14) FOBI:030356 FOBI:030356 gallic acid 4-sulfate 70398 HMDB13198 78016 UBXDWYFLYYJQFR-UHFFFAOYSA-N 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) FOBI:030357 FOBI:030357 4-methylgallic acid 13250 VFPFQHQNJCMNBZ-UHFFFAOYSA-N InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 FOBI:030365 FOBI:030365 ethylgallate AYYKZKTZUDGRGL-QKZHPOIUSA-N InChI=1S/C15H18O11/c1-2-24-14(23)5-3-6(16)8(17)7(4-5)25-15-11(20)9(18)10(19)12(26-15)13(21)22/h3-4,9-12,15-20H,2H2,1H3,(H,21,22)/t9-,10-,11+,12-,15+/m0/s1 FOBI:030366 FOBI:030366 ethylgallate 3-glucuronide JRHRIYQMDUZNBA-UHFFFAOYSA-N InChI=1S/C9H10O8S/c1-2-16-9(12)5-3-6(10)8(11)7(4-5)17-18(13,14)15/h3-4,10-11H,2H2,1H3,(H,13,14,15) FOBI:030367 FOBI:030367 ethylgallate 3-sulfate MLBYCKGONSBJSK-IYJSFKGYSA-N InChI=1S/C17H22O6/c1-9-10(2)15(16(20)21)23-17(11(9)3)22-13-7-5-4-6-12(13)8-14(18)19/h4-7,9-11,15,17H,8H2,1-3H3,(H,18,19)(H,20,21)/t9-,10?,11?,15-,17+/m0/s1 FOBI:030371 FOBI:030371 2-hydroxyphenylacetic acid glucuronide UJBQYMIQTYWRFA-UHFFFAOYSA-N 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) FOBI:030372 FOBI:030372 3-hydroxyphenylacetic acid glucuronide DPTGYOOHBJLCOL-UHFFFAOYSA-N InChI=1S/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) FOBI:030373 FOBI:030373 4-hydroxyphenylacetic acid glucuronide SXQLBARVXZQRLB-UHFFFAOYSA-N InChI=1S/C8H8O6S/c9-8(10)5-6-3-1-2-4-7(6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13) FOBI:030374 FOBI:030374 2-hydroxyphenylacetic acid sulfate VBCLPDSIELLWDI-UHFFFAOYSA-N 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) FOBI:030375 FOBI:030375 3-hydroxyphenylacetic acid sulfate IIODELUADFSHIZ-UHFFFAOYSA-N 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) FOBI:030376 FOBI:030376 4-hydroxyphenylacetic acid sulfate 15765504 | 532 HMDB01336 C01161 547 CFFZDZCDUFSOFZ-UHFFFAOYSA-N InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) FOBI:030377 10820069 FOBI:030377 3,4-dihydroxyphenylacetic acid CXBMXYMXMRBMJY-DKBOKBLXSA-N 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 FOBI:030381 FOBI:030381 homovanillic acid 4-glucuronide HMDB11719 29981063 IACOAKYXFIWAQN-UHFFFAOYSA-N 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) FOBI:030382 FOBI:030382 homovanillic acid 4-sulfate KRKMNGLGYXJMBZ-WAYWQWQTSA-N InChI=1S/C15H16O9/c16-9(17)6-5-7-3-1-2-4-8(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)/b6-5- FOBI:030386 FOBI:030386 o-coumaric acid glucuronide XPCHMFOWDFTFNV-SNAWJCMRSA-N 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+ FOBI:030387 FOBI:030387 m-coumaric acid glucuronide 71314996 SOKJXEKPKWKYKR-KPGYTNHDSA-N 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+/m0/s1 FOBI:030388 FOBI:030388 p-coumaric acid glucuronide 59950526 BTRJLVGUHCECAH-UHFFFAOYSA-N InChI=1S/C9H8O6S/c10-9(11)6-5-7-3-1-2-4-8(7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14) FOBI:030389 FOBI:030389 o-coumaric acid sulfate 4947175 6443141 YPXHXDXMTWPQTO-SNAWJCMRSA-N 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+ FOBI:030390 FOBI:030390 m-coumaric acid sulfate 4797737 6070438 OYDCCWNLILCHDJ-ZZXKWVIFSA-N 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+ FOBI:030391 FOBI:030391 p-coumaric acid sulfate 25171992 BSOMSDFTZKNUHY-ZYZFHZPYSA-N 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+/t10-,11-,12+,13-,15+/m0/s1 FOBI:030393 FOBI:030393 caffeic acid 3-glucuronide 25171780 LTGOIJNQWZWJRF-ZYZFHZPYSA-N 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+/t10-,11-,12+,13-,15+/m0/s1 FOBI:030394 FOBI:030394 caffeic acid 4-glucuronide 102261219 VWQNTRNACRFUCQ-DUXPYHPUSA-N 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+ FOBI:030395 FOBI:030395 caffeic acid 3-sulfate 21668705 SNVAIAITQIIEMQ-DUXPYHPUSA-N 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+ FOBI:030396 FOBI:030396 caffeic acid 4-sulfate 5315600 9798666 GYFFKZTYYAFCTR-AVXJPILUSA-N 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+/t11-,12-,14?,16?/m1/s1 FOBI:030398 11087511 12059140 15740013 25308670 FOBI:030398 4-caffeoylquinic acid 4976336 6474310 KRZBCHWVBQOTNZ-RDJMKVHDSA-N 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+/t19-,20-,23?,25?/m1/s1 FOBI:030401 11312873 15740013 FOBI:030401 3,5-dicaffeoylquinic acid 4976335 6474309 UFCLZKMFXSILNL-RVXRWRFUSA-N 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+/t19-,20-,23+,25-/m1/s1 FOBI:030402 15740013 FOBI:030402 4,5-dicaffeoylquinic acid 8309124 10133609 5317346 RAGZUCNPTLULOL-KQJPBSFVSA-N 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+/t11-,13-,15+,17-/m1/s1 FOBI:030403 11312873 FOBI:030403 3-feruloylquinic acid 8352553 10177048 VTMFDSJJVNQXLT-XQCMRRNBSA-N 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+/t11-,12-,15?,17?/m1/s1 FOBI:030404 11312873 15740013 FOBI:030404 4-feruloylquinic acid 15901362 RAGZUCNPTLULOL-LWOZFZEPSA-N 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+/t11-,13-,15-,17+/m0/s1 FOBI:030405 11312873 15740013 FOBI:030405 5-feruloylquinic acid 4947174 6443140 TWSIWBHKRJLZCF-MBAOVNHDSA-N 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 FOBI:030408 FOBI:030408 ferulic acid 4-glucuronide 49844484 SHJZLGVIOYFHCB-MBAOVNHDSA-N 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 FOBI:030409 FOBI:030409 isoferulic acid 3-glucuronide 4878542 6305574 PZPATWACAAOHTJ-HWKANZROSA-N 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+ FOBI:030410 FOBI:030410 ferulic acid 4-sulfate 71749556 DCMKMHVTKFJMAU-HWKANZROSA-N 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+ FOBI:030411 FOBI:030411 isoferulic acid 3-sulfate SVMPWPWAQOHKHG-UOZBHZCFSA-N InChI=1S/C17H20O11/c1-25-8-5-7(3-4-10(18)19)6-9(26-2)14(8)27-17-13(22)11(20)12(21)15(28-17)16(23)24/h3-6,11-13,15,17,20-22H,1-2H3,(H,18,19)(H,23,24)/t11-,12-,13+,15-,17+/m0/s1 FOBI:030413 FOBI:030413 sinapic acid glucuronide KJWQVTFGBFEXMV-ONEGZZNKSA-N InChI=1S/C11H12O8S/c1-17-8-5-7(3-4-10(12)13)6-9(18-2)11(8)19-20(14,15)16/h3-6H,1-2H3,(H,12,13)(H,14,15,16)/b4-3+ FOBI:030414 FOBI:030414 sinapic acid sulfate 161525 ITPFIKQWNDGDLG-UHFFFAOYSA-N 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) FOBI:030419 FOBI:030419 3-(3,5-dihydroxyphenyl)propionic acid IITQLVPAMWYCDQ-DKBOKBLXSA-N 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 FOBI:030420 FOBI:030420 3-(3,5-dihydroxyphenyl)propionic acid glucuronide WEPNMLSXEATIJK-UHFFFAOYSA-N 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) FOBI:030421 FOBI:030421 3-(3,5-dihydroxyphenyl)propionic acid sulfate 49844972 AELQNMHOLDHBFA-DKBOKBLXSA-N 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+/m0/s1 FOBI:030423 FOBI:030423 dihydrocaffeic acid 3-glucuronide 49844181 MIMULQQHBAZGER-UHFFFAOYSA-N 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) FOBI:030424 FOBI:030424 dihydrocaffeic acid 3-sulfate 14340 BOLQJTPHPSDZHR-UHFFFAOYSA-N 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) FOBI:030425 FOBI:030425 dihydroferulic acid 2033192 2752054 ZVIJTQFTLXXGJA-UHFFFAOYSA-N 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) FOBI:030426 FOBI:030426 dihydroisoferulic acid 190069 KYERCTIKYSSKPA-JHZZJYKESA-N 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 FOBI:030427 FOBI:030427 dihydroferulic acid 4-glucuronide 49844034 OSJGZCUHTGTJHT-JHZZJYKESA-N InChI=1S/C16H20O10/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/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1 FOBI:030428 FOBI:030428 dihydroisoferulic acid 3-glucuronide 187489 UMCDODPBPQMWQP-UHFFFAOYSA-N 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) FOBI:030429 FOBI:030429 dihydroferulic acid 4-sulfate 49844179 QZIYZVFIROFZCV-UHFFFAOYSA-N 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) FOBI:030430 FOBI:030430 dihydroisoferulic acid 3-sulfate 93013 HMDB02643 102959 KHTAGVZHYUZYMF-UHFFFAOYSA-N 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) FOBI:030431 FOBI:030431 3-(3-hydroxyphenyl)-3-hydroxypropionic acid QCVMOWDDTCUWLI-UHFFFAOYSA-N InChI=1S/C12H14O9/c13-4-2-1-3-5(6(4)14)20-12-9(17)7(15)8(16)10(21-12)11(18)19/h1-3,7-10,12-17H,(H,18,19) FOBI:030433 FOBI:030433 pyrogallol 1-glucuronide 122553541 SOHXEAWMMVSJFL-COGRHJPHSA-N 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 FOBI:030434 FOBI:030434 pyrogallol 2-glucuronide 54110629 NGVLEQPKHLWZLN-UHFFFAOYSA-N 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) FOBI:030435 FOBI:030435 pyrogallol 1-sulfate XADBYTWTQXSBAF-UHFFFAOYSA-N 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) FOBI:030436 FOBI:030436 pyrogallol 2-sulfate 13622 LPYUENQFPVNPHY-UHFFFAOYSA-N InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3 FOBI:030437 FOBI:030437 1-methylpyrogallol 121805 QFYYAIBEHOEZKC-UHFFFAOYSA-N InChI=1S/C7H8O3/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3 FOBI:030438 FOBI:030438 2-methylpyrogallol 75124209 ICPYZFZFSLTYID-GOVZDWNOSA-N 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 FOBI:030445 FOBI:030445 catechol glucuronide PLHZIQGSGAGOQO-PXSDQIBWSA-N InChI=1S/C13H16O8/c1-5-2-3-7(6(14)4-5)20-13-10(17)8(15)9(16)11(21-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)/t8-,9?,10?,11-,13+/m1/s1 FOBI:030448 FOBI:030448 4-methylcatechol 1-glucuronide 189501 UQDOAPRFPPMAOO-XPORZQOISA-N InChI=1S/C13H16O8/c1-5-2-3-6(14)7(4-5)20-13-10(17)8(15)9(16)11(21-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)/t8-,9-,10+,11-,13+/m0/s1 FOBI:030449 FOBI:030449 4-methylcatechol 2-glucuronide 54104170 NCOMUGOPQPRVSE-UHFFFAOYSA-N InChI=1S/C7H8O5S/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11) FOBI:030450 FOBI:030450 4-methylcatechol 1-sulfate CMEBXVIUEVCAFK-UHFFFAOYSA-N InChI=1S/C7H8O5S/c1-5-2-3-6(8)7(4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11) FOBI:030451 FOBI:030451 4-methylcatechol 2-sulfate 61408 68099 BTQAJGSMXCDDAJ-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H FOBI:030456 FOBI:030456 2,4,6-trihydroxybenzaldehyde FHLOUKKMIKQAHL-BYNIDDHOSA-N 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 FOBI:030458 FOBI:030458 vanillin glucuronide 20822599 OUIKMDRGUNIXSP-UHFFFAOYSA-N 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) FOBI:030459 FOBI:030459 vanillin sulfate 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) FOBI:030462 FOBI:030462 (epi)catechin 7-glucuronide 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) FOBI:030463 FOBI:030463 (epi)catechin 5-glucuronide InChI=1S/C21H22O12/c22-8-4-11(24)9-6-14(32-21-17(28)15(26)16(27)19(33-21)20(29)30)18(31-13(9)5-8)7-1-2-10(23)12(25)3-7/h1-5,14-19,21-28H,6H2,(H,29,30) FOBI:030464 FOBI:030464 (epi)catechin 3-glucuronide 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) FOBI:030465 FOBI:030465 (epi)catechin 3'-glucuronide InChI=1S/C21H22O12/c22-8-4-10(23)9-6-12(25)18(31-14(9)5-8)7-1-2-13(11(24)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) FOBI:030466 FOBI:030466 (epi)catechin 4'-glucuronide InChI=1S/C15H14O10S/c16-10-2-1-7(3-12(10)18)15-13(19)6-9-11(17)4-8(5-14(9)23-15)24-25-26(20,21)22/h1-5,13,15-19H,6H2,(H,20,21,22)/p-1 FOBI:030467 FOBI:030467 (epi)catechin 7-sulfate InChI=1S/C15H14O10S/c16-8-4-13-9(14(5-8)24-25-26(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)/p-1 FOBI:030468 FOBI:030468 (epi)catechin 5-sulfate InChI=1S/C15H14O10S/c16-8-4-11(18)9-6-14(24-25-26(20,21)22)15(23-13(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,14-19H,6H2,(H,20,21,22)/p-1 FOBI:030469 FOBI:030469 (epi)catechin 3-sulfate InChI=1S/C15H14O10S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25-26(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/p-1 FOBI:030470 FOBI:030470 (epi)catechin 3'-sulfate InChI=1S/C15H14O10S/c16-8-4-10(17)9-6-12(19)15(23-14(9)5-8)7-1-2-13(11(18)3-7)24-25-26(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/p-1 FOBI:030471 FOBI:030471 (epi)catechin 4'-sulfate 14332898 ZHDMPVIDHWJGTN-CZUORRHYSA-N InChI=1S/C16H16O6/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/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1 FOBI:030472 FOBI:030472 4'-methylepicatechin BBDWMQGDVLQOSW-UHFFFAOYSA-N InChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3 FOBI:030473 FOBI:030473 3'-methylepicatechin 65231 C12136 72277 XMOCLSLCDHWDHP-IUODEOHRSA-N 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 FOBI:030486 FOBI:030486 epigallocatechin 101449862 ZTOAOZDTXSRHIB-BBGDWMAASA-N InChI=1S/C21H22O13/c22-7-3-9(23)8-5-13(33-21-17(29)15(27)16(28)19(34-21)20(30)31)18(32-12(8)4-7)6-1-10(24)14(26)11(25)2-6/h1-4,13,15-19,21-29H,5H2,(H,30,31)/t13-,15+,16+,17-,18-,19+,21-/m1/s1 FOBI:030487 FOBI:030487 epigallocatechin 3-glucuronide PFNBTZIECYHRTC-UHFFFAOYSA-N InChI=1S/C15H14O10S/c16-8-1-6-4-12(25-26(21,22)23)15(24-14(6)11(19)5-8)7-2-9(17)13(20)10(18)3-7/h1-3,5,12,15-20H,4H2,(H,21,22,23) FOBI:030488 FOBI:030488 epigallocatechin 3-sulfate 17216345 HMDB05788 114777 22833651 MKTFRRIBCBTOKJ-CRFHJIRQSA-N InChI=1S/C29H24O12/c30-12-4-17(32)14-8-20(35)28(40-22(14)6-12)11-1-10-2-16(25(37)27(39)24(10)26(38)19(34)3-11)29-21(36)9-15-18(33)5-13(31)7-23(15)41-29/h1-7,20-21,28-33,35-37,39H,8-9H2,(H,34,38)/t20-,21-,28-,29-/m1/s1 FOBI:030491 15602765 FOBI:030491 theaflavin 52920332 JDBYFCLHVYVXCX-UHFFFAOYSA-N 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) FOBI:030492 FOBI:030492 4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid BKJQCPDRWDNBIN-UHFFFAOYSA-N InChI=1S/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) FOBI:030493 FOBI:030493 4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 3'-glucuronide LLKUARGHNZMSRT-UHFFFAOYSA-N 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) FOBI:030494 FOBI:030494 4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-glucuronide HROSNTXKMPHTSL-UHFFFAOYSA-N 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) FOBI:030495 FOBI:030495 4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 3'-sulfate GSTPJGFSDIEVSY-UHFFFAOYSA-N InChI=1S/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) FOBI:030496 FOBI:030496 4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-sulfate DPSUQBKEHXAIDY-YHNANPAJSA-N 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+/m0/s1 FOBI:030497 FOBI:030497 5-(3'-hydroxyphenyl)-γ-valerolactone 3'-glucuronide 124202065 DPRDYFJWDRNYAZ-UHFFFAOYSA-N 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) FOBI:030498 FOBI:030498 5-(3'-hydroxyphenyl)-γ-valerolactone 3'-sulfate HWTHTKOQADEPQM-UHFFFAOYSA-N InChI=1S/C11H12O6S/c12-11-6-5-10(16-11)7-8-1-3-9(4-2-8)17-18(13,14)15/h1-4,10H,5-7H2,(H,13,14,15) FOBI:030499 FOBI:030499 5-(4'-hydroxyphenyl)-γ-valerolactone 4'-sulfate 134347 152432 ZNXXWTPQHVLMQT-UHFFFAOYSA-N 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 FOBI:030500 FOBI:030500 5-(3',4'-dihydroxyphenyl)-γ-valerolactone RALBOGKBFZBDKY-UHFFFAOYSA-N InChI=1S/C18H22O10/c19-9-3-1-7(5-8-2-4-11(20)27-8)6-10(9)28-17-12(18(25)26)13(21)14(22)15(23)16(17)24/h1,3,6,8,12-17,19,21-24H,2,4-5H2,(H,25,26) FOBI:030501 FOBI:030501 5-(3',4'-dihydroxyphenyl)-γ-valerolactone 3'-glucuronide 124202077 OTBJYBQGMPICIK-GHPVWUPISA-N 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 FOBI:030502 FOBI:030502 5-(3',4'-dihydroxyphenyl)-γ-valerolactone 4'-glucuronide YAXFVDUJDAQPTJ-UHFFFAOYSA-N 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) FOBI:030503 FOBI:030503 5-(3',4'-dihydroxyphenyl)-γ-valerolactone 3'-sulfate 124202085 RUSMDDXSDLDLKU-PHPHFFAHSA-N 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+/m0/s1 FOBI:030504 FOBI:030504 5-(3',5'-dihydroxyphenyl)-γ-valerolactone glucuronide CVGUPVHDNVLHLW-UHFFFAOYSA-N 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) FOBI:030505 FOBI:030505 5-(3',5'-dihydroxyphenyl)-γ-valerolactone sulfate 44389277 CZVAQLJEUUFQCH-UHFFFAOYSA-N 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 FOBI:030506 FOBI:030506 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone VQHXMQYHVVQQFP-CXWHQSFFSA-N 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?/m0/s1 FOBI:030507 FOBI:030507 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 3'-glucuronide ATYNVCXMADLPJQ-YSVLGHOVSA-N 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+/m0/s1 FOBI:030508 FOBI:030508 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 4'-glucuronide OMISYDASOKPVDK-UHFFFAOYSA-N 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) FOBI:030509 FOBI:030509 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 3'-sulfate NPIMUIQBYBJSBB-UHFFFAOYSA-N 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) FOBI:030510 FOBI:030510 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 4'-sulfate 2293832 3028410 GCIFEQYZDROELP-UHFFFAOYSA-N 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 FOBI:030511 FOBI:030511 5-(3'-methoxy-4'-hydroxyphenyl)-γ-valerolactone NGMVEYPQYAIGEI-UHFFFAOYSA-N 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) FOBI:030512 FOBI:030512 5-(3'-methoxy-4'-hydroxyphenyl)-γ-valerolactone glucuronide FYRRHCSCZYSADR-UHFFFAOYSA-N 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) FOBI:030513 FOBI:030513 5-(3'-methoxy-4'-hydroxyphenyl)-γ-valerolactone sulfate 51136360 BDCRTIDKZGEVEN-DNPGXZAYSA-N 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)/t13?,16-,17-,18+,19-,21+/m0/s1 FOBI:030515 FOBI:030515 naringenin 7-glucuronide 65234 HMDB05782 C01709 72281 AIONOLUJZLIMTK-AWEZNQCLSA-N 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/t14-/m0/s1 FOBI:030518 11312761 16013828 9550103 9550103; 11312761 FOBI:030518 hesperetin 46896123 PJAUEKWZQWLQSU-WDXLFLMVSA-N 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)/t13?,17-,18-,19+,20-,22+/m0/s1 FOBI:030519 FOBI:030519 hesperetin 3'-glucuronide 71777476 NEAWXAXVQDDFJL-PLEVBHNASA-N 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)/t14?,17-,18-,19+,20-,22+/m0/s1 FOBI:030520 FOBI:030520 hesperetin 7-glucuronide SKHOIXCPISQFMS-AWEZNQCLSA-N 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)/t14-/m0/s1 FOBI:030521 FOBI:030521 hesperetin 7-sulfate VLWJVRACXDFSKC-UHFFFAOYSA-N InChI=1S/C17H14O10/c18-10-2-1-6-9(25-10)5-8-7(3-4-24-8)14(6)26-17-13(21)11(19)12(20)15(27-17)16(22)23/h1-5,11-13,15,17,19-21H,(H,22,23) FOBI:030524 FOBI:030524 bergaptol glucuronide MUJRAVJMPBKDAH-UHFFFAOYSA- InChI=1S/C11H6O7S/c12-10-2-1-6-9(17-10)5-8-7(3-4-16-8)11(6)18-19(13,14)15/h1-5H,(H,13,14,15) FOBI:030525 FOBI:030525 bergaptol sulfate 125641 PRYLPCLGPXGILY-DKBOKBLXSA-N InChI=1S/C15H14O9/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21/h1-5,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1 FOBI:030526 FOBI:030526 umbelliferone glucuronide LJOOSFYJELZGMR-UHFFFAOYSA-M InChI=1S/C9H6O6S/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1-5H,(H,11,12,13)/p-1 FOBI:030527 FOBI:030527 umbelliferone sulfate 23930394 ATUYSKUVHUPXBV-ZFORQUDYSA-N 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 FOBI:030531 FOBI:030531 daidzein 4'-glucuronide 9491321 11316354 MMIBOZXVZLENRZ-ZFORQUDYSA-N 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 FOBI:030532 FOBI:030532 daidzein 7-glucuronide NSJKNMPSMHSBQD-MWBUVXCNSA-N 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 FOBI:030533 FOBI:030533 daidzein diglucuronide GFHHFNZYJNKWPT-ZFORQUDYSA-N 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 FOBI:030534 FOBI:030534 daidzein 7-glucuronide-4'-sulfate HQYWZCFQCBVQJZ-HGMWCATMSA-N InChI=1S/C21H18O13S/c22-15-12-6-5-11(34-35(28,29)30)7-14(12)31-8-13(15)9-1-3-10(4-2-9)32-21-18(25)16(23)17(24)19(33-21)20(26)27/h1-8,16-19,21,23-25H,(H,26,27)(H,28,29,30)/t16-,17?,18?,19-,21+/m1/s1 FOBI:030535 FOBI:030535 daidzein 4'-glucuronide-7-sulfate 13076689 12114463 CQRHJEVIKOKQMO-UHFFFAOYSA-N 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) FOBI:030536 FOBI:030536 daidzein 4'-sulfate 45782816 NHEBJNCJBWUPCK-ZFORQUDYSA-N 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 FOBI:030538 FOBI:030538 genistein 4'-glucuronide 13083403 15940724 JIVINIISUDEORF-ZFORQUDYSA-N 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 FOBI:030539 FOBI:030539 genistein 7-glucuronide DFJSPRNCKDBZIJ-MWBUVXCNSA-N 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 FOBI:030540 FOBI:030540 genistein diglucuronide SQCSMLZKGFBVFL-ZFORQUDYSA-N InChI=1S/C21H18O14S/c22-12-5-10(35-36(29,30)31)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)33-21-18(26)16(24)17(25)19(34-21)20(27)28/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31)/t16-,17-,18+,19-,21+/m0/s1 FOBI:030541 FOBI:030541 genistein 4'-glucuronide-7-sulfate JZFIWABEFJYNRS-DSGPYVBMSA-L InChI=1S/C21H18O14S.2Na/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);;/q;2*+1/p-2/t16-,17-,18+,19-,21+;;/m0../s1 FOBI:030542 FOBI:030542 genistein 7-glucuronide-4'-sulfate 8466977 10291508 DKEIWIJUHWVGRC-UHFFFAOYSA-N 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) FOBI:030543 FOBI:030543 genistein 7-sulfate 29979359 XDPLKWRSVXUQBN-LVEHSUOCSA-N 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 FOBI:030545 FOBI:030545 equol 7-glucuronide UXOJWGSGKUYMIA-GFCCVEGCSA-M InChI=1S/C15H14O6S/c16-13-4-1-11-7-12(9-20-15(11)8-13)10-2-5-14(6-3-10)21-22(17,18)19/h1-6,8,12,16H,7,9H2,(H,17,18,19)/p-1/t12-/m1/s1 FOBI:030546 FOBI:030546 equol 4'-sulfate KXYGEGYBMOCKNJ-SXFAUFNYSA-N 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 FOBI:030548 FOBI:030548 biochanin a 7-glucuronide XSOANDKYUDOEER-UHFFFAOYSA-N InChI=1S/C16H12O8S/c1-22-10-4-2-9(3-5-10)12-8-23-14-7-11(24-25(19,20)21)6-13(17)15(14)16(12)18/h2-8,17H,1H3,(H,19,20,21) FOBI:030549 FOBI:030549 biochanin a 7-sulfate KDULJPKZESDTFK-SXFAUFNYSA-N InChI=1S/C22H20O10/c1-29-11-4-2-10(3-5-11)15-9-14(23)13-7-6-12(8-16(13)31-15)30-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1 FOBI:030551 FOBI:030551 formononetin 7-glucuronide DSZBEWXQBVATQX-UHFFFAOYSA-N InChI=1S/C16H12O7S/c1-21-11-4-2-10(3-5-11)14-9-22-15-8-12(23-24(18,19)20)6-7-13(15)16(14)17/h2-9H,1H3,(H,18,19,20) FOBI:030552 FOBI:030552 formononetin 7-sulfate 4477775 5319484 JBFOLLJCGUCDQP-ZFORQUDYSA-N 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 FOBI:030554 FOBI:030554 apigenin 7-glucuronide 4444211 C03515 5280601 VSUOKLTVXQRUSG-ZFORQUDYSA-N 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 FOBI:030557 FOBI:030557 luteolin 7-glucuronide 10176995 12004528 DUBCCGAQYVUYEU-UHFFFAOYSA-N 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) FOBI:030559 FOBI:030559 quercetin 3-glucuronide 11655911 LBJLXDMWOKJIPQ-JENRNSKYSA-N 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 FOBI:030560 FOBI:030560 quercetin 3'-glucuronide 21676162 OSCLBBUATYLBQA-UHFFFAOYSA-N 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) FOBI:030561 FOBI:030561 quercetin 3'-sulfate 4590613 5491630 VVZWHOMBDMMRSC-NTKSAMNMSA-N 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 FOBI:030563 FOBI:030563 isorhamnetin 3-glucuronide 44123491 CZFNXFXZXWDYMZ-UHFFFAOYSA-L InChI=1S/C16H12O10S/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-19H,1H3,(H,21,22,23)/p-2 FOBI:030564 FOBI:030564 isorhamnetin 3-sulfate 44259052 VOYLAWHADGDBIE-UHFFFAOYSA-N InChI=1S/C15H10O9S/c16-8-3-1-7(2-4-8)14-15(24-25(20,21)22)13(19)12-10(18)5-9(17)6-11(12)23-14/h1-6,16-18H,(H,20,21,22) FOBI:030567 FOBI:030567 kaempferol 3-sulfate 8065632 9889961 YFJJAJIWPWXWJJ-ZFORQUDYSA-N 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 FOBI:030569 FOBI:030569 phloretin glucuronide 4589709 5488186 RIUPLDUFZCXCHM-UHFFFAOYSA-N 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 FOBI:030570 FOBI:030570 urolithin a 4528673 5380406 WXUQMTRHPNOXBV-UHFFFAOYSA-N 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 FOBI:030573 FOBI:030573 urolithin b 101495881 MHBWCULXQBVPQT-KSPMYQCISA-N 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 FOBI:030574 FOBI:030574 urolithin b glucuronide LRRVKQQFGIEMSA-UHFFFAOYSA-N 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) FOBI:030575 FOBI:030575 urolithin b sulfate 60198001 HHXMEXZVPJFAIJ-UHFFFAOYSA-N 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 FOBI:030576 FOBI:030576 urolithin c DDAQYQCCOWZGDO-KSPMYQCISA-N 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)/t13-,14-,15+,16-,19+/m0/s1 FOBI:030577 FOBI:030577 urolithin c 3-glucuronide AIWPERSXONUOOZ-UHFFFAOYSA-N InChI=1S/C13H8O8S/c14-10-4-8-7-2-1-6(21-22(17,18)19)3-12(7)20-13(16)9(8)5-11(10)15/h1-5,14-15H,(H,17,18,19) FOBI:030578 FOBI:030578 urolithin c 3-sulfate HEIHXCBRTPYOMU-BYNIDDHOSA-N 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 FOBI:030580 FOBI:030580 tyrosol glucuronide VCRXMIQBQGCAAL-UHFFFAOYSA-N 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) FOBI:030581 FOBI:030581 tyrosol sulfate CPHMFZSEPDNJAZ-BYNIDDHOSA-N 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 FOBI:030583 FOBI:030583 hydroxytyrosol 3'-glucuronide JMDNSUMWVYKARS-BYNIDDHOSA-N 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 FOBI:030584 FOBI:030584 hydroxytyrosol 4'-glucuronide 71749404 BZTHVCCNFBAISK-UHFFFAOYSA-N 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) FOBI:030585 FOBI:030585 hydroxytyrosol 3'-sulfate 71749405 VNPXBLBTQUFCHO-UHFFFAOYSA-N 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) FOBI:030586 FOBI:030586 hydroxytyrosol 4'-sulfate 16928 XHUBSJRBOQIZNI-UHFFFAOYSA-N InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3 FOBI:030587 FOBI:030587 homovanillyl alcohol FPHRLHBSOJUFOE-DKBOKBLXSA-N InChI=1S/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+/m0/s1 FOBI:030588 FOBI:030588 homovanillyl alcohol glucuronide LWTDOJAWTHMBFG-UHFFFAOYSA-N InChI=1S/C9H12O6S/c1-14-9-6-7(4-5-10)2-3-8(9)15-16(11,12)13/h2-3,6,10H,4-5H2,1H3,(H,11,12,13) FOBI:030589 FOBI:030589 homovanillyl alcohol sulfate 4437760 5273285 QWSAYEBSTMCFKY-OTPOQTMVSA-N 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 FOBI:030592 FOBI:030592 trans-resveratrol 3-glucuronide 4437759 5273284 CDEBVTGYVFHDMA-OTPOQTMVSA-N 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+/t15-,16-,17+,18-,20+/m0/s1 FOBI:030593 FOBI:030593 trans-resveratrol 4'-glucuronide 29986850 QWSAYEBSTMCFKY-BMPGWQKJSA-N 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 FOBI:030594 FOBI:030594 cis-resveratrol 3-glucuronide 71752003 CDEBVTGYVFHDMA-BMPGWQKJSA-N 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-/t15-,16-,17+,18-,20+/m0/s1 FOBI:030595 FOBI:030595 cis-resveratrol 4'-glucuronide 29986833 KOTTWDFKZULRPN-OWOJBTEDSA-N 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+ FOBI:030597 FOBI:030597 trans-resveratrol 4'-sulfate 129848988 DULQFFCIVGYOFH-UPHRSURJSA-N 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- FOBI:030598 FOBI:030598 cis-resveratrol 3-sulfate 97107241 KOTTWDFKZULRPN-UPHRSURJSA-N 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- FOBI:030599 FOBI:030599 cis-resveratrol 4'-sulfate MATKIWLWARSJPU-HBWRTXEVSA-N InChI=1S/C20H22O9/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/h3-9,15-18,20-25H,1-2H2,(H,26,27)/t15-,16-,17+,18-,20+/m0/s1 FOBI:030602 FOBI:030602 dihydroresveratrol 4'-glucuronide VPKVLRCNQRSXLW-UHFFFAOYSA-N InChI=1S/C14H14O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19) FOBI:030604 FOBI:030604 dihydroresveratrol 4'-sulfate SSZYARBRHYOZQM-OWOJBTEDSA-N InChI=1S/C26H30O14/c27-10-16-17(29)18(30)21(33)25(39-16)37-14-7-12(2-1-11-3-5-13(28)6-4-11)8-15(9-14)38-26-22(34)19(31)20(32)23(40-26)24(35)36/h1-9,16-23,25-34H,10H2,(H,35,36)/b2-1+ FOBI:030606 FOBI:030606 piceid 3-glucuronide PHLZFRGLHZUWLW-OWOJBTEDSA-N InChI=1S/C26H30O14/c27-10-16-17(29)18(30)21(33)25(39-16)38-15-8-12(7-13(28)9-15)2-1-11-3-5-14(6-4-11)37-26-22(34)19(31)20(32)23(40-26)24(35)36/h1-9,16-23,25-34H,10H2,(H,35,36)/b2-1+ FOBI:030607 FOBI:030607 piceid 4'-glucuronide WYPZTOJGOQAJJD-CUYWLFDKSA-N InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-14-7-12(8-15(9-14)31-32(26,27)28)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1+/t16-,17-,18+,19-,20-/m1/s1 FOBI:030608 FOBI:030608 piceid 3-sulfate OPXYKICHKIQGOV-CUYWLFDKSA-N InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-15-8-12(7-13(22)9-15)2-1-11-3-5-14(6-4-11)31-32(26,27)28/h1-9,16-25H,10H2,(H,26,27,28)/b2-1+/t16-,17-,18+,19-,20-/m1/s1 FOBI:030609 FOBI:030609 piceid 4'-sulfate 71315012 BNSAVBGHRVFVNN-XSCLDSQRSA-N 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 FOBI:030610 FOBI:030610 curcumin glucuronide NEJVQQBBTRFOHB-FCXRPNKRSA-N 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+ FOBI:030611 FOBI:030611 curcumin sulfate HMDB06101 123917 HVDGDHBAMCBBLR-UHFFFAOYSA-N 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 FOBI:030612 FOBI:030612 enterolactone YIGJPNKBAAZMPC-NBSJFAFNSA-N InChI=1S/C24H26O10/c25-15-5-1-3-12(8-15)7-14-11-32-23(31)17(14)10-13-4-2-6-16(9-13)33-24-20(28)18(26)19(27)21(34-24)22(29)30/h1-6,8-9,14,17-21,24-28H,7,10-11H2,(H,29,30)/t14-,17+,18+,19+,20-,21+,24-/m1/s1 FOBI:030613 FOBI:030613 enterolactone 3'-glucuronide CGSFDOCYHBJLFW-PBHICJAKSA-N InChI=1S/C18H18O7S/c19-15-5-1-3-12(8-15)7-14-11-24-18(20)17(14)10-13-4-2-6-16(9-13)25-26(21,22)23/h1-6,8-9,14,17,19H,7,10-11H2,(H,21,22,23)/t14-,17+/m1/s1 FOBI:030614 FOBI:030614 enterolactone 3'-sulfate InChI=1S/C24H30O10/c25-11-15(7-13-3-1-5-17(27)9-13)16(12-26)8-14-4-2-6-18(10-14)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h1-6,9-10,15-16,19-22,24-30H,7-8,11-12H2,(H,31,32)/t15-,16-,19-,20-,21+,22-,24+/m0/s1 FOBI:030616 FOBI:030616 enterodiol glucuronide InChI=1S/C18H22O7S/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(10-14)25-26(22,23)24/h1-6,9-10,15-16,19-21H,7-8,11-12H2,(H,22,23,24)/t15-,16-/m0/s1 FOBI:030617 FOBI:030617 enterodiol sulfate 447736 513197 YKGCBLWILMDSAV-UHFFFAOYSA-N 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 FOBI:030618 10070768 FOBI:030618 isoxanthohumol 14604154 11972 ADVGKWPZRIDURE-UHFFFAOYSA-N InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10) FOBI:030619 FOBI:030619 n-(2-hydroxyphenyl)acetamide PRQFWBNVZNICDN-JUSQZNFGSA-N InChI=1S/C13H15NO9/c15-7-8(16)10(11(18)19)23-12(9(7)17)22-6-4-2-1-3-5(6)14-13(20)21/h1-4,7-10,12,14-17H,(H,18,19)(H,20,21)/t7-,8?,9?,10-,12+/m0/s1 FOBI:030620 FOBI:030620 n-(2-hydroxyphenyl)acetamide glucuronide 181671 JCVGTUVGDOWZJE-UHFFFAOYSA-N InChI=1S/C8H9NO5S/c1-6(10)9-7-4-2-3-5-8(7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13) FOBI:030621 FOBI:030621 n-(2-hydroxyphenyl)acetamide sulfate 59751652 BUCREAQPYGLZLI-SXFAUFNYSA-N InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1 FOBI:030622 FOBI:030622 1-hydroxypyrene glucuronide InChI=1S/C25H36O10/c1-10-11-3-4-15-24(2)9-12(34-23-18(28)16(26)17(27)19(35-23)22(32)33)7-13(21(30)31)14(24)5-6-25(15,8-11)20(10)29/h11-20,23,26-29H,1,3-9H2,2H3,(H,30,31)(H,32,33)/t11-,12-,13-,14-,15+,16+,17+,18-,19+,20+,23-,24-,25-/m1/s1 FOBI:030623 FOBI:030623 atractyligenin 2-glucuronide 55940 D08836 11074431 | 23683747 WBZFUFAFFUEMEI-UHFFFAOYSA-M InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1 FOBI:030624 FOBI:030624 acesulfame k 19355701 HMDB10325 18392195 IWJBVMJWSPZNJH-UQGZVRACSA-N InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1 FOBI:030628 FOBI:030628 ethyl glucuronide 14206177 57448826 | 6004 KIWBPDUYBMNFTB-UHFFFAOYSA-N InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5) FOBI:030629 FOBI:030629 ethyl sulfate 197081 YTMNONATNXDQJF-UBNZBFALSA-N InChI=1S/C21H20O11.ClH/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);1H/t16-,17-,18+,19-,21-;/m1./s1 FOBI:030633 FOBI:030633 cyanidin 3-glucoside 391786 C12141 443654 ZZWPMFROUHHAKY-OUUKCGNVSA-O 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 FOBI:030637 FOBI:030637 peonidin 3-glucoside 176449 HBKZHMZCXXQMOX-YATQZQGFSA-N InChI=1S/C22H22O12.ClH/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);1H/t16-,18-,19+,20-,22-;/m1./s1 FOBI:030638 FOBI:030638 petunidin 3-glucoside HMDB05792 5350 SUVMJBTUFCVSAD-UHFFFAOYSA-N InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 FOBI:030639 FOBI:030639 sulforaphane 8577881 10402443 PUPMSTCTVNEOCX-ISJKBYAMSA-N 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)/t7-,17?/m0/s1 FOBI:030640 FOBI:030640 sulforaphane-cysteine 71772353 IIHBKTCHILXGOT-KMYGYIBBSA-N 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)/t9-,20?/m0/s1 FOBI:030641 FOBI:030641 sulforaphane-n-acetyl-cysteine XXNFGCPBPYXDGU-UHFFFAOYSA-N 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) FOBI:030642 FOBI:030642 sulforaphane-cysteine-glycine 45040448 ROARKYNVUQLTDP-QGQIPBJJSA-N 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 FOBI:030643 FOBI:030643 sulforaphane-glutathione HMDB06095 10455 LELAOEBVZLPXAZ-UHFFFAOYSA-N InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3 FOBI:030644 FOBI:030644 iberin TVMBFSAEYQAFEF-UHFFFAOYSA-N InChI=1S/C8H16N2O3S3/c1-16(13)4-2-3-10-8(14)15-5-6(9)7(11)12/h6H,2-5,9H2,1H3,(H,10,14)(H,11,12) FOBI:030645 FOBI:030645 iberin-cysteine RBVJIAJZFANPKT-UHFFFAOYSA-N 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) FOBI:030646 FOBI:030646 iberin-n-acetyl-cysteine DPNSNZWERSTHLI-UHFFFAOYSA-N InChI=1S/C10H19N3O4S3/c1-20(17)4-2-3-12-10(18)19-6-7(11)9(16)13-5-8(14)15/h7H,2-6,11H2,1H3,(H,12,18)(H,13,16)(H,14,15) FOBI:030647 FOBI:030647 iberin-cysteine-glycine VSDUBRGHFZYNJY-UHFFFAOYSA-N InChI=1S/C15H26N4O7S3/c1-29(26)6-2-5-17-15(27)28-8-10(13(23)18-7-12(21)22)19-11(20)4-3-9(16)14(24)25/h9-10H,2-8,16H2,1H3,(H,17,27)(H,18,23)(H,19,20)(H,21,22)(H,24,25) FOBI:030648 FOBI:030648 iberin-glutathione 5020627 6537488 HBULKUDERNWOBN-UHFFFAOYSA-N InChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12) FOBI:030650 FOBI:030650 5-(hydroxymethyl-2-furoyl)glycine HMDB01970 11804 ODCYDGXXCHTFIR-UHFFFAOYSA-N 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) FOBI:030660 FOBI:030660 3-methyluric acid 62375 HMDB11107 C16355 69160 YHNNPKUFPWLTOP-UHFFFAOYSA-N 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) FOBI:030661 FOBI:030661 7-methyluric acid 8096278 9920643 XWCBQDPCEYHYRB-UHFFFAOYSA-N InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)11(2)7(14)10-6(4)13/h8H2,1-2H3,(H,9,12)(H,10,13,14) FOBI:030666 FOBI:030666 6-amino-5-(n-methylformylamino)-1-methyluracil 5428292 7074739 SZJNCZMRZAUNQT-IUCAKERBSA-N InChI=1S/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)/t8-,9-/m0/s1 FOBI:030668 FOBI:030668 cyclo(l-leucyl-l-prolyl) SQVPGYDPSLNFET-KSXIZUIISA-N InChI=1S/C19H20N4O6/c1-23-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(23)22-17-14(26)12(24)13(25)15(29-17)18(27)28/h2-8,12-15,17,24-26H,1H3,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,17+/m0/s1 FOBI:030670 FOBI:030670 2-amino-1,6-dimethylimidazo[4,5-b]pyridine glucuronide 76843 85208 ZVFVTBSWJWONEI-GOVZDWNOSA-N InChI=1S/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1 FOBI:030672 FOBI:030672 2-aminophenol glucuronide 181670 VSTZVCJQGSLNLL-UHFFFAOYSA-N InChI=1S/C6H7NO4S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H,7H2,(H,8,9,10) FOBI:030673 FOBI:030673 2-aminophenol sulfate 2340857 3083688 LOODYTDRRBLQNH-UHFFFAOYSA-N 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) FOBI:030675 FOBI:030675 vanilloylglycine 134378 152467 LKRAEHUDIUJBSF-ZETCQYMHSA-N 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 FOBI:030677 FOBI:030677 n-acetyl-s-allylcysteine 13893975 RYGLCORNOFFGTB-YFKPBYRVSA-N InChI=1S/C6H11NO3S/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1 FOBI:030679 FOBI:030679 n-acetyl-s-methylcysteine 8640899 10465488 LKRAEHUDIUJBSF-SSDOTTSWSA-N 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-/m1/s1 FOBI:030680 FOBI:030680 s-allylmercapturic acid 66282 NVLPQIPTCCLBEU-UHFFFAOYSA-N InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3 FOBI:030681 FOBI:030681 allyl methyl sulfide 9063108 10887844 JWWFEYMQBBFIRT-UHFFFAOYSA-N InChI=1S/C4H8OS/c1-3-4-6(2)5/h3H,1,4H2,2H3 FOBI:030682 FOBI:030682 allyl methyl sulfoxide WOPDMJYIAAXDMN-UHFFFAOYSA-N InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3 FOBI:030683 FOBI:030683 allyl methyl sulfone 135751 HMDB11686 154035 JPAUCQAJHLSMQW-XPORZQOISA-N InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1 FOBI:030700 FOBI:030700 p-cresol glucuronide 2015556 HMDB10319 2733785 KUYNOZVWCFXSNE-BYNIDDHOSA-N InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 FOBI:030703 FOBI:030703 indoxyl glucuronide 230519 262500 ZGVSETXHNHBTRK-UHFFFAOYSA-N 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 FOBI:030715 FOBI:030715 α-solanine 181700 BBGNINPPDHJETF-UHFFFAOYSA-N 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 FOBI:030719 FOBI:030719 5-n-heptadecylresorcinol 161858 PUNOCEUUYUXUGR-UHFFFAOYSA-N 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 FOBI:030720 FOBI:030720 5-n-nonadecylresorcinol 136952 155461 BLHLKJLSYHEOGY-UHFFFAOYSA-N 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 FOBI:030721 FOBI:030721 5-n-heneicosylresorcinol 136953 155462 OHTBGMREZYLZQD-UHFFFAOYSA-N 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 FOBI:030722 FOBI:030722 5-n-tricosylresorcinol 136954 155463 GDJMJAKVVSGNLA-UHFFFAOYSA-N 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 FOBI:030723 FOBI:030723 5-n-pentacosylresorcinol 10610280 | 13756559 6043 ASSKVPFEZFQQNQ-UHFFFAOYSA-N InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) FOBI:030724 FOBI:030724 2-benzoxazolinone 10772 MKMCJLMBVKHUMS-UHFFFAOYSA-N InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10) FOBI:030725 FOBI:030725 6-methoxy-benzoxazolin-2-one 14605137 PYQSUTLVBSTCSK-BJPDSMLBSA-N 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)/t8-,9-,10+,11-,13+,14?/m1/s1 FOBI:030727 FOBI:030727 2-β-d-glucopyranosyloxy-1,4-benzoxazin-3-one PXAGSWBDUVOULJ-CPFHXUIISA-N InChI=1S/C14H15NO9/c16-7-8(17)10(12(20)21)23-13(9(7)18)24-14-11(19)15-5-3-1-2-4-6(5)22-14/h1-4,7-10,13-14,16-18H,(H,15,19)(H,20,21)/t7-,8?,9?,10-,13-,14?/m1/s1 FOBI:030728 FOBI:030728 2-hydroxy-1,4-benzoxazin-3-one glucuronide XQOGGBJDHDDLTI-UHFFFAOYSA-N InChI=1S/C8H7NO6S/c10-7-8(15-16(11,12)13)14-6-4-2-1-3-5(6)9-7/h1-4,8H,(H,9,10)(H,11,12,13) FOBI:030729 FOBI:030729 2-hydroxy-1,4-benzoxazin-3-one sulfate 134162 152213 NDEPTLCFICMYLH-UHFFFAOYSA-N 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) FOBI:030730 FOBI:030730 2-hydroxy-7-methoxy-1,4-benzoxazin-3-one 161229 PMBZSEOAOIYRMW-XGHDNVSXSA-N 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)/t9-,10-,11+,12-,14+,15?/m1/s1 FOBI:030731 FOBI:030731 2-β-d-glucopyranosyloxy-7-methoxy-1,4-benzoxazin-3-one CKVNYXWAZIGXDC-CPFHXUIISA-N InChI=1S/C14H15NO10/c16-7-8(17)10(12(20)21)24-13(9(7)18)25-14-11(19)15(22)5-3-1-2-4-6(5)23-14/h1-4,7-10,13-14,16-18,22H,(H,20,21)/t7-,8?,9?,10-,13-,14?/m1/s1 FOBI:030734 FOBI:030734 2,4-dihydroxy-1,4-benzoxazin-3-one glucuronide GNPNIYVSUDXFAF-UHFFFAOYSA-N InChI=1S/C8H7NO7S/c10-7-8(16-17(12,13)14)15-6-4-2-1-3-5(6)9(7)11/h1-4,8,11H,(H,12,13,14) FOBI:030735 FOBI:030735 2,4-dihydroxy-1,4-benzoxazin-3-one sulfate HMDB00826 C16537 13849 WQEPLUUGTLDZJY-UHFFFAOYSA-N InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) FOBI:030738 FOBI:030738 pentadecanoic acid 559144 HMDB00044 TYQCGQRIZGCHNB-MVHIGOERSA-N InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5+/m1/s1 FOBI:030745 FOBI:030745 ascorbic acid 4938343 HMDB03233 6433159 KBPHJBAIARWVSC-RTIVXWJOSA-N 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 FOBI:030749 FOBI:030749 lutein 4444876 5281544 RFWGABANNQMHMZ-ZCHJGGQASA-N 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 FOBI:030751 10552399; 10820069 10820069 FOBI:030751 oleuropein HMDB02364 C17148 10494 MIJYXULNPSFWEK-GTOFXWBISA-N 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 FOBI:030752 FOBI:030752 oleanolic acid 144315 164619 DSCFFEYYQKSRSV-FEPQRWDDSA-N InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6+,7?/m0/s1 FOBI:030755 FOBI:030755 d-pinitol 17341254 | 18503690 HMDB00122 C00031 | D00009 5793 WQZGKKKJIJFFOK-GASJEMHNSA-N InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 FOBI:030758 FOBI:030758 glucose FOBI:040000 FOBI:040000 Phenylpropanoids and polyketides FOBI:040001 FOBI:040001 Benzenoids FOBI:040002 FOBI:040002 Organic oxygen compounds FOBI:040003 FOBI:040003 Lipids and lipid-like molecules FOBI:040004 FOBI:040004 Organic acids and derivatives FOBI:040005 FOBI:040005 Organoheterocyclic compounds FOBI:040006 FOBI:040006 Lignans, neolignans and related compounds FOBI:040007 FOBI:040007 Organosulfur compounds FOBI:040008 FOBI:040008 Organic nitrogen compounds FOBI:040009 FOBI:040009 Organometallic compounds FOBI:040010 FOBI:040010 Alkaloids and derivatives FOBI:040011 FOBI:040011 Flavonoids FOBI:040012 FOBI:040012 Isoflavonoids FOBI:040013 FOBI:040013 Benzene and substituted derivatives FOBI:040014 FOBI:040014 Organooxygen compounds FOBI:040015 FOBI:040015 Prenol lipids FOBI:040016 FOBI:040016 Organic sulfuric acids and derivatives FOBI:040017 FOBI:040017 Coumarins and derivatives FOBI:040018 FOBI:040018 Benzoxazoles FOBI:040019 FOBI:040019 Phenols FOBI:040020 FOBI:040020 Hydroxy acids and derivatives FOBI:040021 FOBI:040021 Saccharolipids FOBI:040022 FOBI:040022 Diarylheptanoids FOBI:040023 FOBI:040023 Phenylpropanoic acids FOBI:040024 FOBI:040024 Carboxylic acids and derivatives FOBI:040025 FOBI:040025 Cinnamic acids and derivatives FOBI:040026 FOBI:040026 Pyrenes FOBI:040027 FOBI:040027 Imidazopyrimidines FOBI:040028 FOBI:040028 Stilbenes FOBI:040029 FOBI:040029 Benzoxazines FOBI:040030 FOBI:040030 Peptidomimetics FOBI:040031 FOBI:040031 Benzothiazoles FOBI:040032 FOBI:040032 Tannins FOBI:040033 FOBI:040033 Fatty Acyls FOBI:040034 FOBI:040034 Indoles and derivatives FOBI:040035 FOBI:040035 Dibenzylbutane lignans FOBI:040036 FOBI:040036 Sulfamic acid derivatives FOBI:040037 FOBI:040037 Furanoid lignans FOBI:040038 FOBI:040038 Steroids and steroid derivatives FOBI:040039 FOBI:040039 Sulfoxides FOBI:040040 FOBI:040040 Allyl sulfur compounds FOBI:040041 FOBI:040041 Organonitrogen compounds FOBI:040042 FOBI:040042 Pyridines and derivatives FOBI:040043 FOBI:040043 Phenol ethers FOBI:040044 FOBI:040044 Diazines FOBI:040045 FOBI:040045 Organometalloid compounds FOBI:040046 FOBI:040046 Dihydrofurans FOBI:040047 FOBI:040047 Linear 1,3-diarylpropanoids FOBI:040048 FOBI:040048 Sulfonyls FOBI:040049 FOBI:040049 Organic sulfonic acids and derivatives FOBI:040050 FOBI:040050 Flavonoid glycosides FOBI:040051 FOBI:040051 Isoflavans FOBI:040052 FOBI:040052 Anilides FOBI:040053 FOBI:040053 Carbohydrates and carbohydrate conjugates FOBI:040054 FOBI:040054 O-methylated flavonoids FOBI:040055 FOBI:040055 Benzoic acids and derivatives FOBI:040056 FOBI:040056 Tetraterpenoids FOBI:040057 FOBI:040057 Arylsulfates FOBI:040058 FOBI:040058 Coumarin glycosides FOBI:040059 FOBI:040059 Benzoxazolones FOBI:040060 FOBI:040060 Isoflavonoid O-glycosides FOBI:040061 FOBI:040061 Flavans FOBI:040062 FOBI:040062 Benzenediols FOBI:040063 FOBI:040063 Beta hydroxy acids and derivatives FOBI:040064 FOBI:040064 Linear diarylheptanoids FOBI:040065 FOBI:040065 Amino acids, peptides, and analogues FOBI:040066 FOBI:040066 Benzenetriols and derivatives FOBI:040067 FOBI:040067 Hydroxycinnamic acids and derivatives FOBI:040068 FOBI:040068 Purines and purine derivatives FOBI:040069 FOBI:040069 Phenylacetic acids FOBI:040070 FOBI:040070 Aniline and substituted anilines FOBI:040071 FOBI:040071 Stilbene glycosides FOBI:040072 FOBI:040072 Benzoxazinones FOBI:040073 FOBI:040073 Hybrid peptides FOBI:040074 FOBI:040074 Isoflav-2-enes FOBI:040075 FOBI:040075 Alcohols and polyols FOBI:040076 FOBI:040076 Hydrolyzable tannins FOBI:040077 FOBI:040077 Lineolic acids and derivatives FOBI:040078 FOBI:040078 Indolyl carboxylic acids and derivatives FOBI:040079 FOBI:040079 Dibenzylbutanediol lignans FOBI:040080 FOBI:040080 1-hydroxy-4-unsubstituted benzenoids FOBI:040081 FOBI:040081 Methoxyphenols FOBI:040082 FOBI:040082 Furanocoumarins FOBI:040083 FOBI:040083 Cyclamates FOBI:040084 FOBI:040084 O-methylated isoflavonoids FOBI:040085 FOBI:040085 Fatty acids and conjugates FOBI:040086 FOBI:040086 Tetrahydrofuran lignans FOBI:040087 FOBI:040087 Carbonyl compounds FOBI:040088 FOBI:040088 Flavones FOBI:040089 FOBI:040089 Cresols FOBI:040090 FOBI:040090 Medium-chain hydroxy acids and derivatives FOBI:040091 FOBI:040091 Tyrosols and derivatives FOBI:040092 FOBI:040092 Steroidal alkaloids FOBI:040093 FOBI:040093 Sulfuric acid esters FOBI:040094 FOBI:040094 Tricarboxylic acids and derivatives FOBI:040095 FOBI:040095 Triterpenoids FOBI:040096 FOBI:040096 1-hydroxy-2-unsubstituted benzenoids FOBI:040097 FOBI:040097 Cinnamic acids FOBI:040098 FOBI:040098 Quaternary ammonium salts FOBI:040099 FOBI:040099 Methylpyridines FOBI:040100 FOBI:040100 Fatty acid esters FOBI:040101 FOBI:040101 Pyrimidines and pyrimidine derivatives FOBI:040102 FOBI:040102 Terpene glycosides FOBI:040103 FOBI:040103 Diterpenoids FOBI:040104 FOBI:040104 Organoarsenic compounds FOBI:040105 FOBI:040105 Steroidal glycosides FOBI:040106 FOBI:040106 Furanones FOBI:040107 FOBI:040107 Aminoxides FOBI:040108 FOBI:040108 Chalcones and dihydrochalcones FOBI:040109 FOBI:040109 Sulfones FOBI:040110 FOBI:040110 Biflavonoids and polyflavonoids FOBI:040111 FOBI:040111 Organosulfonic acids and derivatives FOBI:040112 FOBI:040112 N-arylamides FOBI:040113 FOBI:040113 Flavonoid O-glycosides FOBI:040114 FOBI:040114 Isoflavanols FOBI:040115 FOBI:040115 Acetanilides FOBI:040116 FOBI:040116 Glycosyl compounds FOBI:040117 FOBI:040117 4'-O-methylated flavonoids FOBI:040118 FOBI:040118 Hydroxybenzoic acid derivatives FOBI:040119 FOBI:040119 Carotenoids FOBI:040120 FOBI:040120 Phenylsulfates FOBI:040121 FOBI:040121 Flavan-3-ols FOBI:040122 FOBI:040122 Resorcinols FOBI:040123 FOBI:040123 Curcuminoids FOBI:040124 FOBI:040124 Amino acids and derivatives FOBI:040125 FOBI:040125 Phloroglucinols and derivatives FOBI:040126 FOBI:040126 Coumaric acids and derivatives FOBI:040127 FOBI:040127 Xanthines FOBI:040128 FOBI:040128 2(hydroxyphenyl)acetic acids FOBI:040129 FOBI:040129 Catechols FOBI:040130 FOBI:040130 Isoflavones FOBI:040131 FOBI:040131 Cyclic alcohols and derivatives FOBI:040132 FOBI:040132 3'-O-methylated flavonoids FOBI:040133 FOBI:040133 Pyrogallols and derivatives FOBI:040134 FOBI:040134 Secondary alcohols FOBI:040135 FOBI:040135 Indole-3-acetic acid derivatives FOBI:040136 FOBI:040136 Sugar acids and derivatives FOBI:040137 FOBI:040137 Flavanones FOBI:040138 FOBI:040138 Linear furanocoumarins FOBI:040139 FOBI:040139 4'-O-methylated isoflavonoids FOBI:040140 FOBI:040140 Sulfated fatty acids FOBI:040141 FOBI:040141 9,9'-epoxylignans FOBI:040142 FOBI:040142 Aldehydes FOBI:040143 FOBI:040143 Para cresols FOBI:040144 FOBI:040144 Flavonols FOBI:040145 FOBI:040145 Long-chain fatty acids FOBI:040146 FOBI:040146 Tyrosols FOBI:040147 FOBI:040147 Solanidines and derivatives FOBI:040148 FOBI:040148 Sulfuric acid monoesters FOBI:040149 FOBI:040149 Hydroxycinnamic acids FOBI:040150 FOBI:040150 Methoxybenzoic acids and derivatives FOBI:040151 FOBI:040151 Benzamides FOBI:040152 FOBI:040152 Very long-chain fatty acids FOBI:040153 FOBI:040153 Carnitines FOBI:040154 FOBI:040154 N-methylpyridinium compounds FOBI:040155 FOBI:040155 Acyl carnitines FOBI:040156 FOBI:040156 Hydroxypyrimidines FOBI:040157 FOBI:040157 Acyclic diterpenoids FOBI:040158 FOBI:040158 Peptides FOBI:040159 FOBI:040159 Monosaccharides FOBI:040160 FOBI:040160 Tetraorganoarsonium salts FOBI:040161 FOBI:040161 Steroidal saponins FOBI:040162 FOBI:040162 Trialkyl amine oxides FOBI:040163 FOBI:040163 2'-Hydroxy-dihydrochalcones FOBI:040164 FOBI:040164 Heterocyclic fatty acids FOBI:040165 FOBI:040165 Organosulfonic acids FOBI:040166 FOBI:040166 N-acetylarylamines FOBI:040167 FOBI:040167 Spirosolanes and derivatives FOBI:040168 FOBI:040168 8-prenylated flavans FOBI:040169 FOBI:040169 Anthocyanins FOBI:040170 FOBI:040170 Phenolic glycosides FOBI:040171 FOBI:040171 Salicylic acid and derivatives FOBI:040172 FOBI:040172 Carotenes FOBI:040173 FOBI:040173 C-glycosyl compounds FOBI:040174 FOBI:040174 Catechins FOBI:040175 FOBI:040175 Flavonoid O-glucuronides FOBI:040176 FOBI:040176 Alpha amino acids and derivatives FOBI:040177 FOBI:040177 Acylphloroglucinols and derivatives FOBI:040178 FOBI:040178 Coumaric acids FOBI:040179 FOBI:040179 Cyclitols and derivatives FOBI:040180 FOBI:040180 O-glycosyl compounds FOBI:040181 FOBI:040181 Xanthophylls FOBI:040182 FOBI:040182 Gallic acid and derivatives FOBI:040183 FOBI:040183 Cyclohexanols FOBI:040184 FOBI:040184 Psoralens FOBI:040185 FOBI:040185 4'-O-methylisoflavones FOBI:040186 FOBI:040186 Dibenzylbutyrolactone lignans FOBI:040187 FOBI:040187 Aryl-aldehydes FOBI:040188 FOBI:040188 Glucuronic acid derivatives FOBI:040189 FOBI:040189 P-methoxybenzoic acids and derivatives FOBI:040190 FOBI:040190 Hippuric acids and derivatives FOBI:040191 FOBI:040191 Oligopeptides FOBI:040192 FOBI:040192 Hexoses FOBI:040193 FOBI:040193 M-methoxybenzoic acids and derivatives FOBI:040194 FOBI:040194 Beta amino acids and derivatives FOBI:040195 FOBI:040195 Furanoid fatty acids FOBI:040196 FOBI:040196 5-unsubstituted pyrrogallols FOBI:040197 FOBI:040197 8-prenylated flavanones FOBI:040198 FOBI:040198 Anthocyanidin-3-O-glycosides FOBI:040199 FOBI:040199 Salicylic acids FOBI:040200 FOBI:040200 Flavonoid-7-O-glucuronides FOBI:040201 FOBI:040201 Histidine and derivatives FOBI:040202 FOBI:040202 Alanine and derivatives FOBI:040203 FOBI:040203 N-acyl-alpha amino acids and derivatives FOBI:040204 FOBI:040204 Proline and derivatives FOBI:040205 FOBI:040205 Phenylalanine and derivatives FOBI:040206 FOBI:040206 Quinic acids and derivatives FOBI:040207 FOBI:040207 Flavonoid-3-O-glucuronides FOBI:040208 FOBI:040208 5-hydroxypsoralens FOBI:040209 FOBI:040209 Benzaldehydes FOBI:040210 FOBI:040210 Cysteine and derivatives FOBI:040211 FOBI:040211 Inositol phosphates FOBI:040212 FOBI:040212 Glucuronides FOBI:040213 FOBI:040213 Gallic acids FOBI:040214 FOBI:040214 Hippuric acids FOBI:040215 FOBI:040215 Catechin gallates FOBI:040216 FOBI:040216 Tyrosine and derivatives FOBI:040217 FOBI:040217 Galloyl esters FOBI:040218 FOBI:040218 Epigallocatechins FOBI:040219 FOBI:040219 Alpha amino acids FOBI:040221 FOBI:040221 Kaurane diterpenoids FOBI:040222 FOBI:040222 Vegetarian dishes FOBI:040223 FOBI:040223 Non vegetarian dishes FOBI:040225 FOBI:040225 Cold sauces FOBI:040229 FOBI:040229 Other prepared foods YPASCVZALRQWQG-YROROSIDSA-N InChI=1S/C24H26O10/c25-15-5-1-3-13(8-15)10-17-14(11-32-23(17)31)7-12-4-2-6-16(9-12)33-24-20(28)18(26)19(27)21(34-24)22(29)30/h1-6,8-9,14,17-21,24-28H,7,10-11H2,(H,29,30)/t14-,17?,18+,19?,20?,21+,24?/m1/s1 FOBI:040239 FOBI:040239 enterolactone 3''-glucuronide SPRPHXPXKOEYDB-XPCCGILXSA-N InChI=1S/C18H18O7S/c19-15-5-1-3-13(8-15)10-17-14(11-24-18(17)20)7-12-4-2-6-16(9-12)25-26(21,22)23/h1-6,8-9,14,17,19H,7,10-11H2,(H,21,22,23)/t14-,17?/m1/s1 FOBI:040240 FOBI:040240 enterolactone 3''-sulfate MCMHLNUFWOHPQE-UHFFFAOYSA-N InChI=1S/C9H10O8S/c1-2-16-9(12)5-3-6(10)8(7(11)4-5)17-18(13,14)15/h3-4,10-11H,2H2,1H3,(H,13,14,15) FOBI:040241 FOBI:040241 ethylgallate 4-sulfate ZHTVVEZJLVVZOT-YGMDGNCASA-N InChI=1S/C15H18O11/c1-2-24-14(23)5-3-6(16)11(7(17)4-5)25-15-10(20)8(18)9(19)12(26-15)13(21)22/h3-4,8-10,12,15-20H,2H2,1H3,(H,21,22)/t8-,9-,10+,12-,15+/m0/s1 FOBI:040242 FOBI:040242 ethylgallate 4-glucuronide FOBI:07501 FOBI:07501 Coca Cola Zero FOBI:07502 FOBI:07502 Coca Cola Light FOBI:07503 FOBI:07503 Pepsi Max FOBI:07504 FOBI:07504 Coca Cola FOBI:07505 FOBI:07505 Pepsi FOBI:07506 FOBI:07506 Fanta FOBI:07510 FOBI:07510 whole bread FOBI:07511 FOBI:07511 whole toast FOBI:07518 FOBI:07518 pint FOBI:07522 FOBI:07522 crisp FOBI:07524 FOBI:07524 wholemeal bread FOBI:07527 FOBI:07527 diet coke FOBI:07528 FOBI:07528 weetabix FOBI:07550 FOBI:07550 philadelphia FOBI:07572 FOBI:07572 wholemeal FOBI:07581 FOBI:07581 raki FOBI:07584 FOBI:07584 zero coke FOBI:07585 FOBI:07585 coke OQBMUBCLLAWJHJ-PYSZTQAZSA-N InChI=1S/C22H24O12/c1-31-15-4-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)2-3-13(15)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 FOBI:08566 FOBI:08566 3'-methylcatechin 4'-glucuronide WMVRRRYTJXAVND-CNDVCMBASA-N 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+/m0/s1 FOBI:08567 FOBI:08567 3'-methylcatechin 5-glucuronide OQBMUBCLLAWJHJ-FDRKUGEKSA-N InChI=1S/C22H24O12/c1-31-15-4-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)2-3-13(15)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 FOBI:08568 FOBI:08568 3'-methylepicatechin 4'-glucuronide WMVRRRYTJXAVND-FDRKUGEKSA-N 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 FOBI:08569 FOBI:08569 3'-methylepicatechin 5-glucuronide 101190386 MZJSKSYVZZIYPF-ZRRVXMDUSA-N 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 FOBI:08642 FOBI:08642 3'-methylepicatechin 7-glucuronide 101244286 PSOMCIRLFFROES-FDRKUGEKSA-N InChI=1S/C22H24O12/c1-31-13-3-2-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)4-15(13)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 FOBI:08643 FOBI:08643 4'-methylepicatechin 3'-glucuronide FJHGPEXCGXLNNU-FDRKUGEKSA-N InChI=1S/C22H24O12/c1-31-13-3-2-8(4-11(13)24)19-12(25)7-10-14(32-19)5-9(23)6-15(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 FOBI:08644 FOBI:08644 4'-methylepicatechin 5-glucuronide CJPIUMOCTBARLM-ZRRVXMDUSA-N nChI=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 FOBI:08645 FOBI:08645 4'-methylepicatechin 7-glucuronide FXAMKGHSKXKNHR-DAURTTLQSA-N InChI=1S/C21H22O12/c22-8-4-10(23)9-6-12(25)18(31-14(9)5-8)7-1-2-13(11(24)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+/m0/s1 FOBI:08646 FOBI:08646 catechin 4'-glucuronide KGLMKAPOVXBIJB-AKIQRXPNSA-N 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 FOBI:08647 FOBI:08647 catechin 5-glucuronide 76969982 BUONZQIZWIITTB-CVPXIJHMSA-N 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 FOBI:08648 FOBI:08648 epicatechin 3'-glucuronide FXAMKGHSKXKNHR-CVPXIJHMSA-N InChI=1S/C21H22O12/c22-8-4-10(23)9-6-12(25)18(31-14(9)5-8)7-1-2-13(11(24)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 FOBI:08649 FOBI:08649 epicatechin 4'-glucuronide KGLMKAPOVXBIJB-SNFOCDISSA-N 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+/m0/s1 FOBI:08650 FOBI:08650 epicatechin 5-glucuronide 76961592 FDWDKTKDGDLDTP-BBGDWMAASA-N 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 FOBI:08651 FOBI:08651 epicatechin 7-glucuronide VBSMBNMUYITMLB-SWLSCSKDSA-N 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 FOBI:08652 FOBI:08652 catechin 3'-sulfate YKRWCINYMPRAIG-SWLSCSKDSA-N 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+/m0/s1 FOBI:08653 FOBI:08653 catechin 4'-sulfate MWSSRHFQMROXGK-SWLSCSKDSA-N 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+/m0/s1 FOBI:08654 FOBI:08654 catechin 5-sulfate FLSYXGAHKYHTCZ-HUUCEWRRSA-N InChI=1S/C15H14O9S/c16-8-4-11(18)9-6-14(24-25(20,21)22)15(23-13(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,14-19H,6H2,(H,20,21,22)/t14-,15-/m1/s1 FOBI:08655 FOBI:08655 epicatechin 3-sulfate 71260094 VBSMBNMUYITMLB-IUODEOHRSA-N 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 FOBI:08656 FOBI:08656 epicatechin 3'-sulfate 71579043 YKRWCINYMPRAIG-IUODEOHRSA-N 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 FOBI:08657 FOBI:08657 epicatechin 4'-sulfate 71579119 MWSSRHFQMROXGK-IUODEOHRSA-N 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 FOBI:08658 FOBI:08658 epicatechin 5-sulfate RTMISWLJQDWIPT-UKRRQHHQSA-N InChI=1S/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-/m1/s1 FOBI:08659 FOBI:08659 epicatechin 7-sulfate RVIUQHYENGKVCZ-UHFFFAOYSA-N InChI=1S/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) FOBI:08660 FOBI:08660 3,4-dihydroxyphenylacetic acid 3-glucuronide SOKKQMPCIJPSGH-UHFFFAOYSA-N InChI=1S/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) FOBI:08661 FOBI:08661 3,4-dihydroxyphenylacetic acid 4-glucuronide KAIXMDKRVHGWDK-UHFFFAOYSA-N 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) FOBI:08662 FOBI:08662 3,4-dihydroxyphenylacetic acid 3-sulfate 193283 ZQTJTTSZJNFQGJ-UHFFFAOYSA-N 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) FOBI:08663 FOBI:08663 3,4-dihydroxyphenylacetic acid 4-sulfate WAXYAOJFDCCESK-UHFFFAOYSA-N InChI=1S/C11H12O7S/c12-9-6-7(5-8-2-4-11(13)17-8)1-3-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16) FOBI:08664 FOBI:08664 5-(3',4'-dihydroxyphenyl)-γ-valerolactone 4'-sulfate 52920453 WAKFBGOXOFLZLZ-UHFFFAOYSA-N 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 FOBI:08665 FOBI:08665 5-(3',5'-dihydroxyphenyl)-γ-valerolactone OXASBXALVLRTKO-UHFFFAOYSA-N 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 FOBI:08666 FOBI:08666 5-(3'-hydroxyphenyl)-γ-valerolactone ZZTMNRLDFVIBTG-UHFFFAOYSA-N InChI=1S/C13H14O10/c14-5-3-1-2-4(11(18)19)9(5)22-13-8(17)6(15)7(16)10(23-13)12(20)21/h1-3,6-8,10,13-17H,(H,18,19)(H,20,21) FOBI:08667 FOBI:08667 2,3-dihydroxybenzoic acid 2-glucuronide WEIFSGICBUHQQV-UHFFFAOYSA-N InChI=1S/C13H14O10/c14-6-4(11(18)19)2-1-3-5(6)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) FOBI:08668 FOBI:08668 2,3-dihydroxybenzoic acid 3-glucuronide JRPJGICIYUNHQW-UHFFFAOYSA-N InChI=1S/C13H14O10/c14-4-1-2-5(11(18)19)6(3-4)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) FOBI:08669 FOBI:08669 2,4-dihydroxybenzoic acid 2-glucuronide HTVZPXVZCIIMAA-UHFFFAOYSA-N InChI=1S/C13H14O10/c14-6-3-4(1-2-5(6)11(18)19)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) FOBI:08670 FOBI:08670 2,4-dihydroxybenzoic acid 4-glucuronide YMTKHYRBSOTLTP-UHFFFAOYSA-N InChI=1S/C13H14O10/c14-4-1-2-6(5(3-4)11(18)19)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) FOBI:08671 FOBI:08671 2,5-dihydroxybenzoic acid 2-glucuronide BCTCNBZWJFQHRF-UHFFFAOYSA-N InChI=1S/C13H14O10/c14-6-2-1-4(3-5(6)11(18)19)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) FOBI:08672 FOBI:08672 2,5-dihydroxybenzoic acid 5-glucuronide QDPNFTHYUAKYKM-UHFFFAOYSA-N InChI=1S/C7H6O7S/c8-6-4(7(9)10)2-1-3-5(6)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13) FOBI:08673 FOBI:08673 2,3-dihydroxybenzoic acid 3-sulfate DRJRXXDGTMEQKU-UHFFFAOYSA-N InChI=1S/C7H6O7S/c8-6-3-4(14-15(11,12)13)1-2-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13) FOBI:08674 FOBI:08674 2,4-dihydroxybenzoic acid 4-sulfate 54473656 XKAUVSKGVSQBFW-UHFFFAOYSA-N InChI=1S/C7H6O7S/c8-6-2-1-4(14-15(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13) FOBI:08675 FOBI:08675 2,5-dihydroxybenzoic acid 5-sulfate CBVJYALZVWCCEC-WDXLFLMVSA-N InChI=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 FOBI:08676 FOBI:08676 hesperetin 5-glucuronide 131750808 AXWNOFHBYPBYNO-UHFFFAOYSA-N 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) FOBI:08677 FOBI:08677 hesperetin 3'-sulfate QRULBSSBAHHSES-ZDUSSCGKSA-N 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)/t13-/m0/s1 FOBI:08678 FOBI:08678 hesperetin 5-sulfate YFLHDBYZUJBQGB-DKBOKBLXSA-N 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)/t10-,11-,12+,13-,15+/m0/s1 FOBI:08679 FOBI:08679 3-(3-hydroxyphenyl)propionic acid glucuronide WALCYTHTBOWOFF-PDWCTOEPSA-N InChI=1S/C15H18O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15(22)13-11(19)10(18)12(20)14(21)24-13/h1-2,4-5,10-14,18-21H,3,6H2,(H,16,17)/t10-,11-,12+,13-,14+/m0/s1 FOBI:08680 FOBI:08680 3-(4-hydroxyphenyl)propionic acid glucuronide 49844036 YKAVCSNFDHAGEG-UHFFFAOYSA-N 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) FOBI:08682 FOBI:08682 3-(4-hydroxyphenyl)propionic acid sulfate 71260093 QGMVQGQNIUVPMC-MLGOLLRUSA-N 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 FOBI:08683 FOBI:08683 3'-methylepicatechin 4'-sulfate ZFUHNDPCTCXKQO-MLGOLLRUSA-N 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 FOBI:08684 FOBI:08684 3'-methylepicatechin 5-sulfate RIKCESGMRQZLKQ-CZUORRHYSA-N 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 FOBI:08685 FOBI:08685 3'-methylepicatechin 7-sulfate PCLCJMJFLFTHDU-MLGOLLRUSA-N InChI=1S/C16H16O9S/c1-23-13-3-2-8(4-15(13)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 FOBI:08686 FOBI:08686 4'-methylepicatechin 3'-sulfate 71579213 JSNCQMRECHVQQQ-MLGOLLRUSA-N 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 FOBI:08687 FOBI:08687 4'-methylepicatechin 5-sulfate NCEYJABYRYYGNC-CZUORRHYSA-N 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 FOBI:08688 FOBI:08688 4'-methylepicatechin 7-sulfate XFEXVGIHNGUIFM-UHFFFAOYSA-N InChI=1S/C14H16O11/c1-23-6-3-4(12(19)20)2-5(15)10(6)24-14-9(18)7(16)8(17)11(25-14)13(21)22/h2-3,7-9,11,14-18H,1H3,(H,19,20)(H,21,22) FOBI:08689 FOBI:08689 3-methylgallic acid 4-glucuronide ILWDNUVZYSRINE-UHFFFAOYSA-N InChI=1S/C14H16O11/c1-23-5-2-4(12(19)20)3-6(7(5)15)24-14-10(18)8(16)9(17)11(25-14)13(21)22/h2-3,8-11,14-18H,1H3,(H,19,20)(H,21,22) FOBI:08690 FOBI:08690 3-methylgallic acid 5-glucuronide OEYVJQPXEVSKDH-NJNVDNPHSA-N InChI=1S/C14H16O11/c1-23-10-5(15)2-4(12(19)20)3-6(10)24-14-9(18)7(16)8(17)11(25-14)13(21)22/h2-3,7-9,11,14-18H,1H3,(H,19,20)(H,21,22)/t7-,8?,9?,11-,14+/m0/s1 FOBI:08691 FOBI:08691 4-methylgallic acid 3-glucuronide QUGZPKOJDPDIDP-UHFFFAOYSA-N InChI=1S/C8H8O8S/c1-15-6-3-4(8(10)11)2-5(9)7(6)16-17(12,13)14/h2-3,9H,1H3,(H,10,11)(H,12,13,14) FOBI:08692 FOBI:08692 3-methylgallic acid 4-sulfate JIMIRVGENXXZSQ-UHFFFAOYSA-N InChI=1S/C8H10O8S/c1-15-5-2-4(8(10)11)3-6(7(5)9)16-17(12,13)14/h2-3,5,7,9H,1H3,(H,10,11)(H,12,13,14) FOBI:08693 FOBI:08693 3-methylgallic acid 5-sulfate 9000783 10825483 LMJIEJLSDJBABY-UHFFFAOYSA-N 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) FOBI:08694 FOBI:08694 4-methylgallic acid 3-sulfate WIRBFTWUCRQZDH-UHFFFAOYSA-N InChI=1S/C13H16O9/c1-20-6-4-2-3-5(14)10(6)21-13-9(17)7(15)8(16)11(22-13)12(18)19/h2-4,7-9,11,13-17H,1H3,(H,18,19) FOBI:08695 FOBI:08695 1-methylpyrogallol 2-glucuronide ZCXVNAUYGLECEF-UHFFFAOYSA-N InChI=1S/C13H16O9/c1-20-5-3-2-4-6(7(5)14)21-13-10(17)8(15)9(16)11(22-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19) FOBI:08696 FOBI:08696 1-methylpyrogallol 3-glucuronide PCYIQKIPHUBFMX-JDQAZDLZSA-N InChI=1S/C13H16O9/c1-20-10-5(14)3-2-4-6(10)21-13-9(17)7(15)8(16)11(22-13)12(18)19/h2-4,7-9,11,13-17H,1H3,(H,18,19)/t7-,8-,9+,11-,13+/m0/s1 FOBI:08697 FOBI:08697 2-methylpyrogallol 1-glucuronide DIWVSUYQBQOOTK-UHFFFAOYSA-N InChI=1S/C7H8O6S/c1-12-6-4-2-3-5(8)7(6)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11) FOBI:08698 FOBI:08698 1-methylpyrogallol 2-sulfate NTXOJWKIHIOUQN-UHFFFAOYSA-N InChI=1S/C7H8O6S/c1-12-5-3-2-4-6(7(5)8)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11) FOBI:08699 FOBI:08699 1-methylpyrogallol 3-sulfate 122164840 ARLAWMCEVZUXEY-UHFFFAOYSA-N InChI=1S/C7H8O6S/c1-12-7-5(8)3-2-4-6(7)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11) FOBI:08700 FOBI:08700 2-methylpyrogallol 1-sulfate 91312540 DFIUUCDSSKATFP-DNPGXZAYSA-N 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)/t13?,16-,17-,18+,19-,21+/m0/s1 FOBI:08701 FOBI:08701 naringenin 4'-glucuronide 101242747 ZTQGTBHHQGGBSV-ATVZYYHQSA-N 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 FOBI:08702 FOBI:08702 naringenin 5-glucuronide 11078674 LQAWJBRSYCPTLK-ZDUSSCGKSA-N 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)/t13-/m0/s1 FOBI:08703 FOBI:08703 naringenin 4'-sulfate TUKMNFQGFNNJQM-UHFFFAOYSA-O InChI=1S/C15H12O8S/c16-9-3-1-8(2-4-9)12-7-11(18)15-13(22-12)5-10(17)6-14(15)23-24(19,20)21/h1-6,12,16-17H,7H2,(H,19,20,21)/p+1 FOBI:08704 FOBI:08704 naringenin 5-sulfate LCXKYLMSILXZFG-ZDUSSCGKSA-N InChI=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)/t13-/m0/s1 FOBI:08705 FOBI:08705 naringenin 7-sulfate 102579638 KXBXNRJGUDTJQS-KSPMYQCISA-N 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+/m0/s1 FOBI:08706 FOBI:08706 urolithin a 3-glucuronide 131708293 QMPHAAMUHRNZSL-KSPMYQCISA-N InChI=1S/C19H16O10/c20-7-1-3-10-9-4-2-8(6-11(9)18(26)28-12(10)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+/m0/s1 FOBI:08707 FOBI:08707 urolithin a 8-glucuronide WMPNAWQWWZFJTQ-UHFFFAOYSA-N 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) FOBI:08708 FOBI:08708 urolithin a 3-sulfate WMPNAWQWWZFJTQ-UHFFFAOYSA-N 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) FOBI:08709 FOBI:08709 urolithin a 8-sulfate FTDMUGVYLIJMHW-JLBGVFTDSA-N 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+/m0/s1 FOBI:08710 FOBI:08710 5-(4’-hydroxyphenyl)-γ-valerolactone 4'-glucuronide OXASBXALVLRTKO-UHFFFAOYSA-N 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 FOBI:08711 FOBI:08711 5-(4’-hydroxyphenyl)-γ-valerolactone QKRQBODPNMXFLS-QMMMGPOBSA-N InChI=1S/C11H14O5/c12-8(1-2-11(15)16)3-7-4-9(13)6-10(14)5-7/h4-6,8,12-14H,1-3H2,(H,15,16)/t8-/m0/s1 FOBI:08803 FOBI:08803 4-hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid WLNKHXJGCCKROC-ZWLNVBLQSA-N InChI=1S/C17H22O11/c18-8(1-2-11(20)21)3-7-4-9(19)6-10(5-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h4-6,8,12-15,17-19,22-24H,1-3H2,(H,20,21)(H,25,26)/t8?,12-,13?,14?,15-,17+/m0/s1 FOBI:08804 FOBI:08804 4-hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid glucuronide KZIXDBSFYKKBMP-UHFFFAOYSA-N InChI=1S/C11H14O8S/c12-8(1-2-11(14)15)3-7-4-9(13)6-10(5-7)19-20(16,17)18/h4-6,8,12-13H,1-3H2,(H,14,15)(H,16,17,18) FOBI:08805 FOBI:08805 4-hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid sulfate 49831816 KTDWBJGUMIZRHU-UHFFFAOYSA-N 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) FOBI:08806 FOBI:08806 3,4-dihydroxyphenylvaleric acid PFXCVFMGZFVRNQ-IASGZQPQSA-N 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 FOBI:08807 FOBI:08807 3,4-dihydroxyphenylvaleric acid 3 glucuronide OUPGXCOAIUBOQD-UHFFFAOYSA-N 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) FOBI:08808 FOBI:08808 3,4-dihydroxyphenylvaleric acid 3 sulfate UGIYSEJJABCPSW-NQKOESPWSA-N 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+/m1/s1 FOBI:08809 FOBI:08809 3,4-dihydroxyphenylvaleric acid 4 glucuronide CABZBRSEXWBGOQ-UHFFFAOYSA-N 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) FOBI:08810 FOBI:08810 3,4-dihydroxyphenylvaleric acid 4 sulfate QHXNJIMVPAFCPR-UHFFFAOYSA-N 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) FOBI:08811 FOBI:08811 3,5-dihydroxyphenylvaleric acid RLPWWOIWKYLCFU-IASGZQPQSA-N InChI=1S/C17H22O10/c18-9-5-8(3-1-2-4-11(19)20)6-10(7-9)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 FOBI:08812 FOBI:08812 3,5-dihydroxyphenylvaleric acid glucuronide GXGQOCNOANVHKV-UHFFFAOYSA-N 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) FOBI:08813 FOBI:08813 3,5-dihydroxyphenylvaleric acid sulfate 4947733 6443769 MFFCZSWTQMCKFP-OWOJBTEDSA-N 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+ FOBI:08814 FOBI:08814 3,5-dihydroxycinnamic acid YIAFSKCUHLQEAH-MEPLRXLMSA-N InChI=1S/C15H16O10/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/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b2-1+/t10-,11?,12?,13-,15+/m1/s1 FOBI:08815 FOBI:08815 3,5-dihydroxycinnamic acid glucuronide KTPBHOMURDURSV-OWOJBTEDSA-N 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+ FOBI:08816 FOBI:08816 3,5-dihydroxycinnamic acid sulfate 71389989 RJGLFRQXIDISBX-UHFFFAOYSA-N 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) FOBI:08817 FOBI:08817 n-(3,5-dihydroxybenzoyl)glycine 78265175 CJKONRHMUGBAQI-YFKPBYRVSA-N InChI=1S/C6H13NO2/c1-5(6(8)9)7(2,3)4/h5H,1-4H3/t5-/m0/s1 FOBI:08818 FOBI:08818 alanine betaine REWYJJRDEOKNBQ-ZETCQYMHSA-O InChI=1S/C8H17NO2/c1-6(2)7(8(10)11)9(3,4)5/h6-7H,1-5H3/p+1/t7-/m0/s1 FOBI:08819 FOBI:08819 valine betaine 25837691 XTFQIRIHLGODFV-NSHDSACASA-N InChI=1S/C12H17NO2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1 FOBI:08820 FOBI:08820 phenylalanine betaine 390180 441447 XULZWQRXYTVUTE-ZETCQYMHSA-N InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3/t7-/m0/s1 FOBI:08821 FOBI:08821 pipecolic acid betaine 866 HMDB03502 890 IMQLKJBTEOYOSI-UHFFFAOYSA-N InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24) FOBI:08822 FOBI:08822 phytic acid FOBI:0172 Meats FOODON:00001006 FOBI:0010 cheese FOODON:00001013 FOBI:0012 yogurt FOODON:00001014 FOBI:0197 beef FOODON:00001041 FOBI:0215 Seafood FOODON:00001046 FOBI:0049 Fruits FOODON:00001057 FOBI:07542 FOODON:00001059 FOBI:0207 bacon FOODON:00001061 FOBI:0186 Poultry FOODON:00001131 FOBI:0028 Tea products FOODON:00001138 FOBI:0027 Coffee products FOODON:00001139 FOBI:0130 Tubers FOODON:00001146 FOBI:0060 Citrus FOODON:00001151 FOBI:0075 Pomes FOODON:00001158 FOBI:0086 Cruciferous FOODON:00001169 FOBI:0270 bread FOODON:00001183 FOBI:008142 rye FOODON:00001190 FOBI:0137 Pulses FOODON:00001209 FOBI:0002 Cocoa and cocoa products FOODON:00001215 FOBI:0121 Herbs and spices FOODON:00001242 FOBI:0005 Dairy products FOODON:00001256 FOBI:0020 Milk products FOODON:00001257 FOBI:0050 Vegetables FOODON:00001261 FOBI:0136 Legumes FOODON:00001264 FOBI:0033 Eggs FOODON:00001274 FOBI:0034 Chicken eggs FOODON:00001275 FOBI:07553 cake FOODON:00001278 FOBI:0133 FOODON:00001287 FOBI:007949 lasagne FOODON:00001302 FOBI:0275 black pepper FOODON:00001650 FOBI:0140 Cereal products FOODON:00001709 FOBI:0273 corn FOODON:00001765 FOBI:0279 dry corn FOODON:00001845 FOBI:0071 Gourds FOODON:00001915 FOBI:0097 red pepper FOODON:00001956 FOBI:0111 lettuce FOODON:00001998 FOBI:0015 Alcohols FOODON:00002123 FOBI:0066 prune FOODON:00002176 FOBI:0177 salmon FOODON:00002220 FOBI:040228 Sandwiches FOODON:00002222 FOBI:040227 Soups FOODON:00002257 FOBI:0065 Drupes FOODON:00002277 FOBI:07531 sweet potato FOODON:00002297 FOBI:07513 Waters FOODON:00002340 FOBI:07573 roquefort FOODON:00002424 FOBI:0132 Mushrooms FOODON:00002434 FOBI:0110 FOODON:00002439 FOBI:07587 biscuit FOODON:00002466 FOBI:0076 apple FOODON:00002473 FOBI:08719 FOODON:00002475 FOBI:07508 Prepared foods FOODON:00002501 FOBI:0208 ham FOODON:00002502 FOBI:007948 kebab FOODON:00002528 FOBI:07568 brownie FOODON:00002562 FOBI:0036 Fats and oils FOODON:00002664 FOBI:07589 FOODON:00002711 FOBI:0150 ginger FOODON:00002718 FOBI:0198 hamburger FOODON:00002737 FOBI:0158 Beans FOODON:00002753 FOBI:07565 black bean FOODON:00002889 FOBI:040226 FOODON:00002933 FOBI:0274 yellow pepper FOODON:00003012 FOBI:0095 pepper FOODON:00003013 FOBI:0134 shallot FOODON:00003019 FOBI:07567 cumin FOODON:00003024 FOBI:0122 Herbs FOODON:00003042 FOBI:007947 FOODON:00003049 FOBI:0085 pomegranate FOODON:00003066 FOBI:0201 FOODON:00003083 FOBI:008143 barley FOODON:00003108 FOBI:007970 FOODON:00003140 FOBI:07521 FOODON:00003157 FOBI:07580 FOODON:00003229 FOBI:07536 FOODON:00003230 FOBI:007977 tropezienne FOODON:00003231 FOBI:007935 bolognese FOODON:00003232 FOBI:007937 bourguignon FOODON:00003233 FOBI:007938 brochette FOODON:00003235 FOBI:007940 carbonara FOODON:00003236 FOBI:007963 FOODON:00003238 FOBI:007962 FOODON:00003239 FOBI:007976 FOODON:00003240 FOBI:007975 tagine FOODON:00003241 FOBI:007972 FOODON:00003242 FOBI:007971 FOODON:00003243 FOBI:007968 souffle FOODON:00003244 FOBI:007958 FOODON:00003245 FOBI:0211 proscuitto FOODON:00003246 FOBI:07574 parmesan FOODON:00003247 FOBI:007954 FOODON:00003248 FOBI:0209 FOODON:00003249 FOBI:007953 FOODON:00003250 FOBI:0271 FOODON:00003251 FOBI:007985 FOODON:00003252 FOBI:007952 FOODON:00003253 FOBI:007951 millefeuille FOODON:00003254 FOBI:08721 FOODON:00003255 FOBI:07519 ipa FOODON:00003257 FOBI:07537 greek yogurt FOODON:00003258 FOBI:007934 bechamel FOODON:00003259 FOBI:07539 FOODON:00003260 FOBI:007933 FOODON:00003261 FOBI:007932 FOODON:00003263 FOBI:007931 fondue bourguignonne FOODON:00003264 FOBI:0037 Fats FOODON:00003265 FOBI:0074 figs FOODON:00003266 FOBI:07560 Flavoring agents FOODON:00003267 FOBI:007941 FOODON:00003268 FOBI:007930 croc monsieur FOODON:00003269 FOBI:0212 ribs FOODON:00003270 FOBI:007942 fajitas FOODON:00003271 FOBI:007929 cordon bleu FOODON:00003272 FOBI:07544 FOODON:00003274 black coffee FOBI:08720 FOODON:00003275 tiramisu FOBI:07590 FOODON:00003276 red velvet FOBI:0031 FOODON:00003277 red tea FOBI:007961 FOODON:00003278 raclette FOBI:007969 FOODON:00003280 soup FOBI:0181 FOODON:00003281 White fish FOBI:0277 spaghetti FOODON:03301005 FOBI:040230 coffee FOODON:03301036 FOBI:0073 watermelon FOODON:03301040 FOBI:07523 FOODON:03301055 FOBI:07552 cocoa powder FOODON:03301072 FOBI:07532 FOODON:03301103 FOBI:07566 FOODON:03301105 FOBI:07530 nectarine FOODON:03301107 FOBI:0269 FOODON:03301116 FOBI:008103 Grapes FOODON:03301123 FOBI:07545 brown rice FOODON:03301136 FOBI:07548 FOODON:03301175 FOBI:07562 FOODON:03301217 FOBI:0052 blackberry FOODON:03301236 FOBI:0068 cherry FOODON:03301240 FOBI:0059 raisins FOODON:03301283 FOBI:07534 peanuts FOODON:03301299 FOBI:0160 Peas FOODON:03301300 FOBI:0088 cabbage FOODON:03301326 FOBI:07520 almonds FOODON:03301355 FOBI:0281 FOODON:03301397 FOBI:00898 Soy FOODON:03301415 FOBI:07558 FOODON:03301440 FOBI:0063 lemon FOODON:03301441 FOBI:0115 potato FOODON:03301449 FOBI:07559 ketchup FOODON:03301460 FOBI:0042 FOODON:03301474 FOBI:07571 oregano FOODON:03301482 FOBI:0009 skimmed milk FOODON:03301483 FOBI:07538 natural yogurt FOODON:03301502 FOBI:0103 cucumber FOODON:03301545 FOBI:0094 carrot FOODON:03301570 FOBI:07533 squash FOODON:03301577 FOBI:0070 plum FOODON:03301580 FOBI:07588 FOODON:03301585 FOBI:0072 melon FOODON:03301593 FOBI:0022 FOODON:03301619 FOBI:07579 FOODON:03301632 FOBI:07555 fruit cake FOODON:03301635 FOBI:0144 rice FOODON:03301641 FOBI:007957 FOODON:03301660 FOBI:0039 FOODON:03301672 FOBI:0096 pumpkin FOODON:03301697 FOBI:0067 apricot FOODON:03301701 FOBI:0061 grapefruit FOODON:03301702 FOBI:0127 onion FOODON:03301704 FOBI:07569 FOODON:03301705 FOBI:0087 broccoli FOODON:03301713 FOBI:0113 spinach FOODON:03301716 FOBI:0069 peach FOODON:03301719 FOBI:0057 strawberry FOODON:03301722 FOBI:0077 pear FOODON:03301724 FOBI:0108 celery FOODON:03301727 FOBI:07583 FOODON:03301729 FOBI:0131 artichoke FOODON:03301773 FOBI:0082 mango FOODON:03301813 FOBI:0046 FOODON:03301826 FOBI:0083 papaya FOODON:03301830 FOBI:0084 pineapple FOODON:03301831 FOBI:0116 chips FOODON:03301833 FOBI:07591 FOODON:03301889 FOBI:007965 FOODON:03301906 FOBI:0011 Beverages FOODON:03301977 FOBI:0054 blueberry FOODON:03302045 FOBI:07517 FOODON:03302111 FOBI:0007 milk FOODON:03302116 FOBI:07540 FOODON:03302379 FOBI:07549 cheddar FOODON:03302458 FOBI:0109 chicory FOODON:03302727 FOBI:0089 cauliflower FOODON:03302732 FOBI:07577 FOODON:03302775 FOBI:0044 soy oil FOODON:03302776 FOBI:07586 ricotta FOODON:03302908 FOBI:0080 coconut FOODON:03303085 FOBI:07546 FOODON:03303207 FOBI:0023 wine FOODON:03303222 FOBI:0123 Spices FOODON:03303380 FOBI:040224 Hot sauces FOODON:03304006 FOBI:0278 ravioli FOODON:03304595 FOBI:0030 green tea FOODON:03304639 FOBI:0029 black tea FOODON:03304640 FOBI:0090 radish FOODON:03304656 FOBI:07526 coleslaw FOODON:03304707 FOBI:07564 kale FOODON:03304859 FOBI:0124 garlic FOODON:03305208 FOBI:0100 avocado FOODON:03305236 FOBI:0078 Tropical fruits FOODON:03305237 FOBI:0041 Vegetable oils FOODON:03305263 FOBI:0081 guava FOODON:03305317 FOBI:07554 FOODON:03305417 FOBI:07578 FOODON:03305518 FOBI:0058 Dried fruits FOODON:03305656 FOBI:07509 FOODON:03306255 FOBI:0143 FOODON:03306347 FOBI:07543 whole milk FOODON:03306581 FOBI:0151 Nuts FOODON:03306632 FOBI:0161 chickpeas FOODON:03306811 FOBI:07535 FOODON:03306867 FOBI:0051 Berries FOODON:03306893 FOBI:0276 noodles FOODON:03306944 FOBI:0056 raspberry FOODON:03307119 FOBI:007959 FOODON:03307177 FOBI:0003 FOODON:03307240 FOBI:07515 sparkling water FOODON:03307294 FOBI:0008 semi skimmed milk FOODON:03307458 FOBI:0098 turnip FOODON:03307633 FOBI:007973 FOODON:03307744 FOBI:007967 egg sandwich FOODON:03307770 FOBI:007939 FOODON:03309462 FOBI:07582 FOODON:03309491 FOBI:0104 eggplant FOODON:03309709 FOBI:0064 orange FOODON:03309832 FOBI:0146 oat FOODON:03309855 FOBI:0112 rhubarb FOODON:03309858 FOBI:0105 tomato FOODON:03309927 FOBI:07561 salt FOODON:03309954 FOBI:07547 rice cake FOODON:03309985 FOBI:0147 quinoa FOODON:03310193 FOBI:0043 FOODON:03310232 FOBI:07541 FOODON:03310272 FOBI:07575 FOODON:03310273 FOBI:07570 FOODON:03310290 FOBI:0013 FOODON:03310351 FOBI:0045 sunflower oil FOODON:03310357 FOBI:0040 Oils FOODON:03310387 FOBI:00539 Diet carbonated soft drinks FOODON:03310547 FOBI:07556 Bakery products FOODON:03310635 FOBI:0156 Lentils FOODON:03310641 FOBI:007944 falafel FOODON:03310709 FOBI:007955 pizza FOODON:03310775 FOBI:00538 Carbonated soft drinks FOODON:03310815 FOBI:07529 FOODON:03310820 FOBI:0091 rocket FOODON:03310858 FOBI:0106 zucchini FOODON:03310943 FOBI:0141 Refined grain cereal products FOODON:03311095 FOBI:07557 Sauces FOODON:03311146 FOBI:0129 asparagus FOODON:03311349 FOBI:0079 banana FOODON:03311513 FOBI:007982 FOODON:03311555 FOBI:0053 blackcurrant FOODON:03311604 FOBI:0200 steak FOODON:03311663 FOBI:0126 leek FOODON:03311757 FOBI:007966 FOODON:03312036 FOBI:0213 FOODON:03312067 FOBI:040231 tea FOODON:03315081 FOBI:0047 olive FOODON:03315145 FOBI:008141 FOODON:03315184 FOBI:07563 FOODON:03315258 FOBI:0017 Fermented milk products FOODON:03315513 FOBI:07525 FOODON:03315751 FOBI:0214 sausages FOODON:03315904 FOBI:007964 FOODON:03316042 FOBI:0035 egg FOODON:03316061 FOBI:07516 flavored water FOODON:03316114 FOBI:040220 Dishes FOODON:03316636 FOBI:0038 Vegetable fats FOODON:03316694 FOBI:0093 FOODON:03317254 FOBI:07576 Distilled alcohols FOODON:03317365 FOBI:007946 FOODON:03317446 FOBI:0280 FOODON:03317508 FOBI:0128 Shoot vegetables FOODON:03411005 FOBI:0184 FOODON:03411043 FOBI:0206 Pork FOODON:03411136 FOBI:0196 Cow FOODON:03411161 FOBI:0220 FOODON:03411205 FOBI:0174 FOODON:03411222 FOBI:0190 turkey FOODON:03411236 FOBI:0217 FOODON:03411237 FOBI:0179 FOODON:03411258 FOBI:0180 FOODON:03411269 FOBI:0189 FOODON:03411316 FOBI:0191 FOODON:03411323 FOBI:0139 Grains FOODON:03411324 FOBI:0202 FOODON:03411328 FOBI:0221 FOODON:03411335 FOBI:0216 Crustaceans FOODON:03411374 FOBI:0182 FOODON:03411423 FOBI:0188 FOODON:03411457 FOBI:0102 courgette FOODON:03411462 FOBI:0175 Blue fish FOODON:03411512 FOBI:0219 FOODON:03411514 FOBI:0178 sardines FOODON:03411558 FOBI:0107 Leafy vegetables FOODON:03411566 FOBI:0204 FOODON:03411669 FOBI:0176 FOODON:03411854 FOBI:0218 FOODON:03412112 FOBI:0194 FOODON:03412248 FOBI:0183 FOODON:03413878 FOBI:0062 FOODON:03414363 FOBI:0163 Sugars FOODON:03420108 FOBI:0167 FOODON:03420156 FOBI:0170 FOODON:03420157 FOBI:0199 FOODON:03530027 FOBI:008139 NCBITaxon:99568 curcuma FOBI:0169 UBERON:0036016 HMDB0001870 C00539 WPYMKLBDIGXBTP-UHFFFAOYSA-N FOBI:050001 benzoic acid UNZWRTIHFRATTA-UHFFFAOYSA-N FOBI:050002 2,6-dihydroxybenzoic acid glucuronide AKVBVZKHKYRBGR-UHFFFAOYSA-N FOBI:050003 2,3-dihydroxybenzoic acid 2-sulfate QHDLTZVVAZWIPB-UHFFFAOYSA-N FOBI:050004 2,4-dihydroxybenzoic acid 2-sulfate KCEDAVRJNCRNGJ-UHFFFAOYSA-N FOBI:050005 2,5-dihydroxybenzoic acid 2-sulfate OBLLRWZSZCYGCW-UHFFFAOYSA-N FOBI:050006 2,6-dihydroxybenzoic acid sulfate HMDB0000209 C07086 WLJVXDMOQOGPHL-UHFFFAOYSA-N FOBI:050007 phenylacetic acid HMDB0000930 C10438  WBYWAXJHAXSJNI-VOTSOKGWSA-N FOBI:050008 trans-cinnamic acid HMDB0030677 C06738 NGSWKAQJJWESNS-UTCJRWHESA-N FOBI:050009 cis p-coumaric acid SOKJXEKPKWKYKR-ARYKGQTKSA-N FOBI:050010 cis p-coumaric acid glucuronide OYDCCWNLILCHDJ-UTCJRWHESA-N FOBI:050011 cis p-coumaric acid sulfate KSEBMYQBYZTDHS-HYXAFXHYSA-N FOBI:050012 cis ferulic acid TWSIWBHKRJLZCF-XGYWJOOESA-N FOBI:050013 cis ferulic acid 4-glucuronide PZPATWACAAOHTJ-HYXAFXHYSA-N FOBI:050014 cis ferulic acid 4-sulfate HMDB0034069 PCMORTLOPMLEFB-ARJAWSKDSA-N FOBI:050015 cis sinapic acid HMDB0000764 C05629 XMIIGOLPHOKFCH-UHFFFAOYSA-N FOBI:050016 phenylpropionic acid HMDB0033752 C01198  CJBDUOMQLFKVQC-UHFFFAOYSA-N FOBI:050017 3-(2-hydroxyphenyl)propionic acid VNFALAKTVPEPJX-UHFFFAOYSA-N FOBI:050018 3-(2-hydroxyphenyl)propionic acid glucuronide GFRZSBZWGKDEGA-UHFFFAOYSA-N FOBI:050019 3-(2-hydroxyphenyl)propionic acid sulfate HMDB0240450 QHXNJIMVPAFCPR-UHFFFAOYSA-N FOBI:050020 3-(3,5-dihydroxyphenyl)pentanoic acid HMDB0240451 RLPWWOIWKYLCFU-IASGZQPQSA-N FOBI:050021 3-(3,5-dihydroxyphenyl)pentanoic acid glucuronide HMDB0240452 GXGQOCNOANVHKV-UHFFFAOYSA-N FOBI:050022 3-(3,5-dihydroxyphenyl)pentanoic acid sulfate QGXITCCVKOBDDI-UHFFFAOYSA-N FOBI:050023 2-(3,5-dihydroxyphenyl)ethanol sulfate HMDB0240434 KZOBTPYFLMPYPM-UKDLGEHVSA-N FOBI:050024 catechin 3-glucuronide HMDB0127727 FDWDKTKDGDLDTP-QCBBCZTKSA-N FOBI:050025 catechin 7-glucuronide HMDB0127728 BUONZQIZWIITTB-FSDQAXRCSA-N FOBI:050026 catechin 3'-glucuronide HMDB0240435 KZOBTPYFLMPYPM-NRZZOOGVSA-N FOBI:050027 epicatechin 3-glucuronide HMDB0240437 FLSYXGAHKYHTCZ-LSDHHAIUSA-N FOBI:050028 catechin 3-sulfate HMDB0240436 RTMISWLJQDWIPT-DZGCQCFKSA-N FOBI:050029 catechin 7-sulfate 306665 HMDB0035698 C10682 C10682  119205 MATGKVZWFZHCLI-LSDHHAIUSA-N 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 FOBI:050030 12725654 12725654; 16302745 12725654; 16302745; 15877880 15877880 15877880; 16898863 16302745 16302745; 15877880 16898863 16898863; 15877880 17261017; 15877880 17975893 17975893; 12725654 17975893; 12725654; 15877880 17975893; 12725654; 16898863; 15877880 17975893; 15877880 17975893; 16302745 17975893; 16302745; 16898863; 15877880 17975893; 16898863 17975893; 16898863; 15877880 17975893; 23442648; 16898863 17975893; 23442648; 16898863; 15877880 18163563; 15877880; 16898863 18671400 18671400; 15877880 18671400; 16898863 19373603 19373603; 15877880 19373603; 15877880; 16898863 19373603; 16302745; 15877880 19373603; 16898863 19373603; 8789715; 16898863 23442648 8789715 8789715; 15877880 9505801 matairesinol GUJNNQFVFGFZPK-UHFFFAOYSA-N FOBI:050031 hydroxymatairesinol 4'-glucuronide HUFQFNXBADQYPW-UHFFFAOYSA-N FOBI:050032 hydroxymatairesinol 4''-glucuronide CHGHIPGTRZZHEK-UHFFFAOYSA-N FOBI:050033 hydroxymatairesinol 7-glucuronide 58845 HMDB0013692 C18167 C18167  11646293 PUETUDUXMCLALY-HOTGVXAUSA-N 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 FOBI:050034 12725654 12725654; 16302745 12725654; 16302745; 15877880 15877880 15877880; 16898863 16302745 16302745; 15877880 16898863 16898863; 15877880 17261017; 15877880 17975893 17975893; 12725654 17975893; 12725654; 15877880 17975893; 12725654; 16898863; 15877880 17975893; 15877880 17975893; 16302745 17975893; 16302745; 16898863; 15877880 17975893; 16898863 17975893; 16898863; 15877880 17975893; 23442648; 16898863 17975893; 23442648; 16898863; 15877880 18163563; 15877880; 16898863 18671400 18671400; 15877880 18671400; 16898863 19373603 19373603; 15877880 19373603; 15877880; 16898863 19373603; 16302745; 15877880 19373603; 16898863 19373603; 8789715; 16898863 23442648 8789715 8789715; 15877880 9505801 secoisolariciresinol MONLZYFGSVIHQC-UHFFFAOYSA-N FOBI:050035 secoisolariciresinol 9-glucuronide KEJQZUWQIORRTE-UHFFFAOYSA-N FOBI:050036 secoisolariciresinol 4-glucuronide FGMVDFZVCZUDGI-UHFFFAOYSA-N FOBI:050037 secoisolariciresinol 9-sulfate UYIGCUYDCWYJAR-UHFFFAOYSA-N FOBI:050038 secoisolariciresinol 4-sulfate WMJINTSGOMLXDT-UHFFFAOYSA-N FOBI:050039 isolariciresinol 9-glucuronide RVMYIRMLUMZKLQ-UHFFFAOYSA-N FOBI:050040 isolariciresinol 9'-glucuronide VWNRXGBNZAPMCJ-UHFFFAOYSA-N FOBI:050041 isolariciresinol 4'-glucuronide QNELQQQFSCPAJP-UHFFFAOYSA-N FOBI:050042 isolariciresinol 9-sulfate IHFCQBGVSIXPDS-UHFFFAOYSA-N FOBI:050043 isolariciresinol 9'-sulfate CKOBBDMKLAJVHB-UHFFFAOYSA-N FOBI:050044 isolariciresinol 4'-sulfate BGUMMAWETHOVOG-UHFFFAOYSA-N FOBI:050045 lariciresinol 9-sulfate NVHDQFSKGFJRQV-UHFFFAOYSA-N FOBI:050046 lariciresinol 4-sulfate CYLGJKHAMHUFLA-UHFFFAOYSA-N FOBI:050047 lariciresinol 4'-sulfate HUUUQHZJAPVLRH-UHFFFAOYSA-N FOBI:050048 pinoresinol glucuronide ODEQQZORHQBZKE-UHFFFAOYSA-N FOBI:050049 pinoresinol sulfate ARWUARNRTRQSHW-UHFFFAOYSA-N FOBI:050050 syringaresinol glucuronide ABKGSMJYGPRITK-UHFFFAOYSA-N FOBI:050051 syringaresinol sulfate CNEMQJLKVHMVEC-UHFFFAOYSA-N FOBI:050052 medioresinol 4-sulfate TXGJJYHARFIBHU-UHFFFAOYSA-N FOBI:050053 medioresinol 4'-sulfate HMDB0240370 OYHOCUAXXOWENX-UHFFFAOYSA-N FOBI:050054 2-hydroxy-N-(2-hydroxyphenyl)acetamide HMDB0240379 FGIQLOOXJCVVDO-BYNIDDHOSA-N FOBI:050055 2-hydroxy-N-(2-hydroxyphenyl)acetamide glucuronide HMDB0240380 DJBPGIGCPUYIGS-UHFFFAOYSA-N FOBI:050056 2-hydroxy-N-(2-hydroxyphenyl)acetamide sulfate XKCARXNTRUGKNV-CSHDOIFSSA-N FOBI:050057 2-hydroxy-7-methoxy-1,4-benzoxazin-3-one glucuronide LIVXQZBSLFQWSH-UHFFFAOYSA-N FOBI:050058 2-hydroxy-7-methoxy-1,4-benzoxazin-3-one sulfate BKFNTANIRVOYGT-UHFFFAOYSA-N FOBI:050059 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucuronide BKFNTANIRVOYGT-UHFFFAOYSA-N FOBI:050060 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one sulfate HMDB0038577 C08472 QGUMNWHANDITDB-FPYGCLRLSA-N FOBI:050061 Avenanthramide A HMDB0038575 JXFZHMCSCYADIX-XVNBXDOJSA-N FOBI:050062 Avenanthramide B HMDB0038576 IDUUXROOZBOOPH-QHHAFSJGSA-N FOBI:050063 Avenanthramide C HMDB0033193 FRNDILDQFSAXAR-ZPUQHVIOSA-N FOBI:050064 Avenanthramide O UXYPQEDKRALATQ-ZUVMSYQZSA-N FOBI:050065 Avenanthramide P ICQWGSPTLPRZPP-ZPUQHVIOSA-N FOBI:050066 Avenanthramide Q HMDB0033815 C08887 AAJHVVLGKCKBSH-UHFFFAOYSA-N FOBI:050067 Avenacoside A HMDB0033802 C08888 FINVSZXHUNAWLI-UHFFFAOYSA-N FOBI:050068 Avenacoside B HMDB0004812 C20450 CHTHALBTIRVDBM-UHFFFAOYSA-N FOBI:050069 2,5-furandicarboxylic acid HMDB0040594 INAXVXBDKKUCGI-UHFFFAOYSA-N FOBI:050070 furaneol HMDB0032233 ASOSVCXGWPDUGN-UHFFFAOYSA-N FOBI:050071 2,5-dimethylfuran-3-one HMDB0240347 NUXSIDPKKIEIMI-LURJTMIESA-N FOBI:050072 N6-carboxymethyllysine HMDB0034158 C10787 KLIDCXVFHGNTTM-UHFFFAOYSA-N FOBI:050073 syringol HMDB0029680 ZFBNNSOJNZBLLS-UHFFFAOYSA-N FOBI:050074 4-methylsyringol HMDB0041194 FWMPKHMKIJDEMJ-UHFFFAOYSA-N FOBI:050075 4-allylsyringol HMDB0030483 C02161 RDJXPXHQENRCNG-UHFFFAOYSA-N FOBI:050076 2-amino-3H-phenoxazin-3-one DDHPPCVMQOXUFB-UHFFFAOYSA-N FOBI:050077 2-amino-7-methoxy-3H-phenoxazin-3-one HMDB0240369 DWOBTNSFRDZSMA-UHFFFAOYSA-N FOBI:050078 2-acetylamino-3H-phenoxazin-3-one DOTQQODPKREUTR-UHFFFAOYSA-N FOBI:050079 2-acetylamino-7-methoxy-3H-phenoxazin-3-one HMDB0061115 C09213 AOHCBEAZXHZMOR-ZDUSSCGKSA-N FOBI:050080 hypaphorine CDLVFVFTRQPQFU-UHFFFAOYSA-N FOBI:050081 aminovaleric acid betaine HMDB0042012 C09642 IBRKLUSXDYATLG-LURJTMIESA-N FOBI:050082 salsolinol MQMJQDWEMNNNLR-UHFFFAOYSA-N FOBI:050083 salsolinol 7-sulfate DFPNWHGWIXZYTR-UHFFFAOYSA-N FOBI:050084 salsolinol 6-sulfate FOBI:050085 Furans FOBI:050086 Furoic acid and derivatives FOBI:050087 Furoic acids FOBI:050088 Tetrahydroisoquinolines FOBI:050089 Aryltetralin lignans FOBI:050090 L-alpha-amino acids FOBI:050091 7,9'-epoxylignans FOBI:050092 Benzoic acids FOBI:050093 Acylaminobenzoic acid and derivatives FOBI:050094 Phenoxazines FOBI:050095 Straight chain fatty acids FOBI:050096 Lignan glycosides FOBI:050097 Avenanthramides FOBI:050202 3-prenylated chalcones FOBI:050203 6-prenylated flavans FOBI:050204 6-prenylated flavanones FOBI:050205 Styrenes FOBI:050206 Flavonoid-7-O-glycosides FOBI:050207 Cinnamyl alcohols FOBI:050208 Hydroxycoumarins FOBI:050209 6,7-dihydroxycoumarins FOBI:050210 7-hydroxycoumarins FOBI:050211 Indanes FOBI:050212 8-O-methylated flavonoids FOBI:050213 9,9p-dihydroxyaryltetralin lignans FOBI:050214 Benzopyrans FOBI:050215 2-benzopyrans FOBI:050216 Hydroxyflavonoids FOBI:050217 7-hydroxyflavonoids FOBI:050218 7-O-methylated flavonoids FOBI:050219 5-methoxypsoralens FOBI:050220 Anisoles FOBI:050221 Coumestans FOBI:050222 Benzodioxoles FOBI:050223 6-O-methylated flavonoids FOBI:050224 Terpene lactones FOBI:050225 Diterpene lactones FOBI:050226 Flavanonols FOBI:050227 Monoterpenoids FOBI:050228 Aromatic monoterpenoids FOBI:050229 Lignan lactones FOBI:050230 2'-Hydroxychalcones FOBI:050231 8-methoxypsoralens 555077 HMDB0037479 639665 ORXQGKIUCDPEAJ-YRNVUSSQSA-N 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+ FOBI:050232 10070768 xanthohumol 2759246 HMDB0037247 C09832 155094 YHWNASRGLKJRJJ-KRWDZBQOSA-N 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 FOBI:050233 10070768 10070768; 15712520 6-prenylnaringenin 421848 C18023 509245 LPEPZZAVFJPLNZ-SFHVURJKSA-N 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 FOBI:050234 10070768 10070768; 15712520 8-prenylnaringenin 14112879 HMDB0013744 C17883 332 YOMSJEATGXXYPX-UHFFFAOYSA-N InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3 FOBI:050235 17109870 4-vinylguaiacol 16200549 HMDB0040175 62465 CHWNEIVBYREQRF-UHFFFAOYSA-N InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3 FOBI:050236 17109870 4-ethylguaiacol 15287379 C02923 340 PGSWEKYNAOWQDF-UHFFFAOYSA-N InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 FOBI:050237 16881674 3-methylcatechol 15578444 HMDB0040174 70761 HFLGBNBLMBSXEM-UHFFFAOYSA-N InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3 FOBI:050238 16881674 4-ethylcatechol 10752392 HMDB0004072 C05627 62453 FUGYGGDSWSUORM-UHFFFAOYSA-N InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 FOBI:050239 17109870 4-vinylphenol 65231 HMDB0038361 C12136 72277 XMOCLSLCDHWDHP-IUODEOHRSA-N 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 FOBI:050240 10457459; 11087482; 8717094; 11804530; 20109129; 15602765; 19266552 10820089 10820089; 11087482 10820089; 11087482; 22327611 10820090 10820090; 11087482 10820090; 11087482; 8717094; 11804530; 20109129; 15602765; 19266552 11087482 15182391 22327611 8717094 (-)-epigallocatechin 388383 HMDB0002670 C00509 439246 FTVWIRXFELQLPI-ZDUSSCGKSA-N 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/t13-/m0/s1 FOBI:050241 10812937 11312761 15713039 16013828 19397716 22344920 24812440 9550103 9550103; 11312761 naringenin 390868 HMDB0002927 C09789 442428 DFPMSGMNTNDNHN-ZPHOTFPESA-N 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 FOBI:050242 10905727; 8491829; 15315361 16013828 9561761 9561761; 10727812 9561761; 10812937; 10727812; 8486744; 15315361 naringin 4444991 HMDB0002755 C10107 5281672 IKMDFBPHZNJCSN-UHFFFAOYSA-N 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 FOBI:050243 10554248; 10691619; 11032478; 9550103; 11312761 10554248; 10691619; 11330794; 11605763; 16013828 10794622 10794622; 11032486 10794622; 9550103; 11032486 10794622; 9550103; 11032486; 16910719 11032478 11312761 11330794; 16013828 11513636 11929309 11929309; 15137871; 10794622 12033817 12207471; 9550103; 11312761 12848490 15137871 16013828 17447783; 9550103 22088277 22088277; 9550103 22327611 25591122 25591122; 9550103 9550103 9550103; 11312761 myricetin 10254753 HMDB0137904 C20414 54682930 PTNLHDGQWUGONS-OWOJBTEDSA-N InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H FOBI:050244 16013828 4-hydroxycoumarin 4444764 HMDB0030819 C09263 5281416 ILEDWLMCKZNDJK-UHFFFAOYSA-N InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H FOBI:050245 16013828 esculetin 4444765 HMDB0030820 C09264 5281417 XHCADAYNFIFUHF-TVKJYDDYSA-N 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 FOBI:050246 16013828 esculin 4444113 HMDB0034344 C01752 5280460 RODXRVNMMDRFIK-UHFFFAOYSA-N InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 FOBI:050247 16013828 scopoletin 13586477 HMDB0029865 C09315 5281426 ORHBXUUXSCNDEV-UHFFFAOYSA-N InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H FOBI:050248 16013828 umbelliferone HMDB0004284 C06044 10393 YCCILVSKPBXVIP-UHFFFAOYSA-N InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 FOBI:050249 10552399; 12650585; 10820069 11087455; 25655098; 16608197; 25476327; 16190670; 16819902; 24945796; 17002434; 24424402; 19166732; 21241992 12537439; 16608222; 15713026; 10908812; 16968073; 23411296; 17031999; 16167367 12617582 12650585; 10820069 12744665 24334093 25655098; 10908812; 16819902 tyrosol 4444110 C01745 100754 YCVPRTHEGLPYPB-VOTSOKGWSA-N 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+ FOBI:050250 16013828 pinosylvin 4444167 HMDB0141782 C02666 9984 DKZBBWMURDFHNE-NSCUHMNNSA-N InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ FOBI:050251 ferulaldehyde 4444359 C05610 5280802 CDICDSOGTRCHMG-ONEGZZNKSA-N InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3 FOBI:050252 sinapaldehyde 4445008 HMDB0133823 C10176 5281691 JGUZGNYPMHHYRK-UHFFFAOYSA-N 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 FOBI:050253 11312761 rhamnetin 425065 484757 YNVJOQCPHWKWSO-ZBVBGGFBSA-N InChI=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 FOBI:050254 11902955 pallidol 134356 HMDB0004215 C05901 4813 CDRPUGZCRXZLFL-OWOJBTEDSA-N 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+ FOBI:050255 15998130 piceatannol 4445042 HMDB0130987 C10287 5281727 VLEUZFDZJKSGMX-ONEGZZNKSA-N 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+ FOBI:050256 pterostilbene 389606 HMDB0005810 C05631 440735 SBHXYTNGIZCORC-ZDUSSCGKSA-N 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 FOBI:050257 11312761 15713039 19397716 22344920 24812440 eriodictyol 61389 HMDB0030539 C10190 68077 ULSUXBXHSYSGDT-UHFFFAOYSA-N 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 FOBI:050258 11087509 11312761 14640582 9561761 9561761; 10727812 tangeretin 4444935 HMDB0029521 C10044 5281616 VCCRNZQBSJXYJD-UHFFFAOYSA-N 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 FOBI:050259 10905727 11312761 24812440 galangin 58506 HMDB0030087 C10545 64981 NQWVSMVXKMHKTF-JKSUJKDBSA-N 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 FOBI:050260 17261017 arctigenin 141054 160521 OGFXBIXJCWAUCH-KPHUOKFYSA-N 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 FOBI:050261 isolariciresinol 294521 C10646 332427 MHXCIKYXNYCMHY-AUSJPIAWSA-N 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 FOBI:050262 15877880 15877880; 16898863 16302745 16302745; 15877880 16302745; 16898863; 15877880 16898863 16898863; 15877880 17261017; 15877880 18163563; 15877880; 16898863 23442648 23442648; 16898863 23442648; 16898863; 15877880 lariciresinol C10891 452855 YFVZKLQNMNKWSB-BTYIYWSLSA-N InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1 FOBI:050263 trachelogenin 136952 HMDB0031035 BLHLKJLSYHEOGY-UHFFFAOYSA-N 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 FOBI:050264 14582960 16218677 16218677; 24521535 16218677; 24521535; 25644340 16218677; 25644340; 22880887; 24521535 16218677; 25644340; 24521535 16608224 16608224; 24521535 24521535 25644340 25644340; 24521535 5-heneicosylresorcinol HMDB0038530 BBGNINPPDHJETF-UHFFFAOYSA-N 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 FOBI:050265 14582960 16218677 16218677; 24521535; 25644340 16218677; 25644340; 22880887; 24521535 16218677; 25644340; 24521535 16608224 16608224; 24521535 24521535 25644340 25644340; 24521535 5-heptadecylresorcinol HMDB0030956 PUNOCEUUYUXUGR-UHFFFAOYSA-N 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 FOBI:050266 14582960 16218677 16218677; 24521535; 25644340 16218677; 25644340; 22880887; 24521535 16218677; 25644340; 24521535 16608224 16608224; 24521535 24521535 25644340 25644340; 24521535 5-nonadecylresorcinol 136954 HMDB0038485 GDJMJAKVVSGNLA-UHFFFAOYSA-N 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 FOBI:050267 14582960 16218677 16218677; 24521535; 25644340 16218677; 25644340; 22880887; 24521535 16218677; 25644340; 24521535 16608224 16608224; 24521535 24521535 25644340 25644340; 24521535 5-pentacosylresorcinol 136953 HMDB0038524 OHTBGMREZYLZQD-UHFFFAOYSA-N 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 FOBI:050268 14582960 16218677 16218677; 24521535; 25644340 16218677; 25644340; 22880887; 24521535 16218677; 25644340; 24521535 16608224 16608224; 24521535 24521535 25644340 25644340; 24521535 5-tricosylresorcinol 69081 HMDB0031009 C10809 76617 KVVSCMOUFCNCGX-UHFFFAOYSA-N 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 FOBI:050269 25644340 25644340; 22880887 5-pentadecylresorcinol 294519 332425 VJOBNGRIBLNUKN-ITZZLVQVSA-N 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 FOBI:050270 16302745 17261017 18163563 23442648 medioresinol 26529 28516 KWILGNNWGSNMPA-UHFFFAOYSA-N InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3 FOBI:050271 mellein 10612971 HMDB0000228 C00146 996 ISWSIDIOOBJBQZ-UHFFFAOYSA-N InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H FOBI:050272 phenol 4444989 HMDB0030796 C10105 5281670 YXOLAZRVSSWPPT-UHFFFAOYSA-N 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 FOBI:050273 16076138 morin 65258 C10882 72307 PEYUIKBAABKQKQ-AFHBHXEDSA-N 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 FOBI:050274 16549449 17261017 23442648 25829579 sesamin 61546 HMDB0002708 C05905 128861 VEVZSMAEJFVWIL-UHFFFAOYSA-O InChI=1S/C15H10O6.ClH/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);1H FOBI:050275 14558771; 14690398; 14640564 15453684 cyanidin 60584 HMDB0003263 C05904 67249 XVFMGWDSJLBXDZ-UHFFFAOYSA-O InChI=1S/C15H10O5.ClH/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);1H FOBI:050276 pelargonidin 144246 HMDB0005797 C08726 441773 OGBSHLKSHNAPEW-UHFFFAOYSA-N InChI=1S/C16H12O6.ClH/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);1H FOBI:050277 14558771; 14690398; 14640564 peonidin 16498836 HMDB0036634 C01604 4789 IOUVKUPGCMBWBT-QNDFHXLGSA-N 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 FOBI:050278 10552763; 15137839; 23815505 11513636; 12452634; 15630226; 15479019 11999391 11999391; 23815505 14518966 14518966; 15137839 24812440 phloridzin 389765 HMDB0029943 C06186 346 BJRNKVDFDLYUGJ-RMPHRYRLSA-N 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 FOBI:050279 11999391 arbutin 77297 HMDB0029482 16760075 RMCRQBAILCLJGU-UHFFFAOYSA-N 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 FOBI:050280 11087509 12720386 9561761 9561761; 10727812 didymin HMDB0003265 C09755 10621 QUQPHWDTPGMPEX-QJBIFVCTSA-N 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 FOBI:050281 10905727; 8491829; 12720386; 15315361 11087509 12769519 9561761 9561761; 10727812 9561761; 10727812; 8486744; 15315361 hesperidin 77296 HMDB0033740 C09793 442431 HXTFHSYLYXVTHC-AJHDJQPGSA-N 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 FOBI:050282 10905727; 8491829; 12720386; 15315361 11087509 9561761 9561761; 10727812 9561761; 10727812; 8486744; 15315361 narirutin 65283 HMDB0029540 C10112 72344 DFPMSGMNTNDNHN-ZPHOTFPESA-N 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 FOBI:050283 11087509 14640582 9561761 9561761; 10727812 nobiletin 128491 HMDB0036633 C10186 145659 LKMNXYDUQXAUCZ-UHFFFAOYSA-N 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 FOBI:050284 11087509 14640582 9561761 sinensetin 4444985 HMDB0037441 C10098 25201489 SQFSKOYWJBQGKQ-UHFFFAOYSA-N 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 FOBI:050285 10727812 kaempferide 75327 HMDB0005811 C09732 83489 OMQADRGFMLGFJF-MNPJBKLOSA-N 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 FOBI:050286 10905727; 15315361 12769519 8486744; 15315361 eriocitrin C09805 114627 OBKKEZLIABHSGY-DOYQYKRZSA-N 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 FOBI:050287 10905727 8486744 neoeriocitrin HMDB0030637 C01557 2355 BGEBZHIAGXMEMV-UHFFFAOYSA-N 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 FOBI:050288 10812937 bergapten HMDB0035589 476785 WXTPOHDTGNYFSB-UHFFFAOYSA-N InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2 FOBI:050289 11052725 phlorin 4445347 HMDB0038848 C12627 5282150 RPMNUQRUHXIGHK-PYXJVEIZSA-N 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 FOBI:050290 rhoifolin 4444932 HMDB0029548 C10039 5281613 GZSOSUNBTXMUFQ-YFAPSIMESA-N 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 FOBI:050291 12769519 diosmin 86762 HMDB0030575 C14472 96118 URSUMOWUGDXZHU-UHFFFAOYSA-N 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 FOBI:050292 tetramethylscutellarein 132996 HMDB0037689 SSXJHQZOHUYEGD-UHFFFAOYSA-N 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 FOBI:050293 11087509 3-methoxynobiletin 4444926 HMDB0036619 C10028 5281607 RTIXKCRFFJGDFG-UHFFFAOYSA-N 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 FOBI:050294 10905727 chrysin 17304875 HMDB0005795 16129869 BFMMRDUWGRKGNX-UHFFFAOYSA-N InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48-/m1/s1 FOBI:050295 11052704 punicalagin 553166 HMDB0030837 C10428 637563 RUVINXPYWBROJD-ONEGZZNKSA-N InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ FOBI:050296 11052726 16190627 anethole 4572852 HMDB0034843 C10501 5281800 FBSKJMQYURKNSU-ZLSOWSIRSA-N 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+ FOBI:050297 10552399 verbascoside HMDB0033991 C10216 107971 KYQZWONCHDNPDP-QNDFHXLGSA-N 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 FOBI:050298 10552401 10552401; 10552547 10552547 17386499; 24498818; 19530716; 12607743 19530716; 10552401 24498818 24498818; 10552401 24498818; 10552401; 12607743 24498818; 19530716; 9492334; 10552401 9848519; 19530716; 10552401; 10552547 9848519; 19530716; 10552401; 10552547; 12607743 9848519; 24498818 9848519; 24498818; 10552547; 12607743 9848519; 24498818; 19530716; 9492334; 10552401; 10552547 daidzin HMDB0029909 5281377 FSCNUJMKSQHQSY-UHFFFAOYSA-N InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3 FOBI:050299 10552401 10552401; 10552547 24498818 24498818; 10552401 24498818; 10552401; 12607743 24498818; 19530716; 9492334; 10552401 24835762; 10552547 24835762; 17386499; 24498818; 19530716; 12607743 24835762; 19530716; 10552401 24835762; 9848519; 19530716; 10552401; 10552547 24835762; 9848519; 19530716; 10552401; 10552547; 12607743 24835762; 9848519; 24498818; 19530716; 9492334; 10552401; 10552547 9848519; 24498818 9848519; 24498818; 10552547; 12607743 genistin 4476508 HMDB0005781 C14536 5317750 DXYUAIFZCFRPTH-UHFFFAOYSA-N 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 FOBI:050300 10552401; 10552547 10552547 16898863 17386499; 24498818; 19530716 18729461 18729461; 16898863 19166724; 16898863 19530716 24498818 24498818; 19530716; 9492334 9848519; 19530716; 10552547 9848519; 24498818 9848519; 24498818; 10552547 9848519; 24498818; 19530716; 9492334; 10552401; 10552547 glycitein 10176999 HMDB0002219 C16195 187808 OZBAVEKZGSOMOJ-MIUGBVLSSA-N 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/t17-,19-,20+,21-,22-/m1/s1 FOBI:050301 10552401 10552401; 10552547 10552547 17386499; 24498818; 19530716 19530716; 10552401 24498818 24498818; 10552401 24498818; 19530716; 9492334; 10552401 9848519; 19530716; 10552401; 10552547 9848519; 24498818 9848519; 24498818; 10552547 9848519; 24498818; 19530716; 9492334; 10552401; 10552547 glycitin 4445024 HMDB0002326 C10205 5281707 ZZIALNLLNHEQPJ-UHFFFAOYSA-N 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/h1-6,16-17H FOBI:050302 16898863 8789715 coumestrol 3682955 HMDB0033280 C10544 442831 NATDFORNCKZPCI-FPHUIIFBSA-N 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 FOBI:050303 11087455; 25655098; 16608197; 16819902; 24945796 12537439; 17031999; 16167367 25655098; 16819902 1-acetoxypinoresinol 8567505 HMDB0034751 GMQXOLRKJQWPNB-FAWHCFPASA-N 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-/m0/s1 FOBI:050304 ligstroside HMDB0036121 HKVGJQVJNQRJPO-OIXVIMQBSA-N 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- FOBI:050305 10552399; 10820069 10820069 demethyloleuropein 80576 HMDB0029379 C00933 89287 HUJXHFRXWWGYQH-UHFFFAOYSA-O 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 FOBI:050306 sinapine 7975265 HMDB0038932 94672 KQRXQIPRDKVZPW-UHFFFAOYSA-N 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 FOBI:050307 16549449 25829579 sesaminol 10778676 HMDB0033812 C10832 68289 LUSZGTFNYDARNI-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2 FOBI:050308 sesamol 91932 HMDB0034119 101746 ZZMNWJVJUKMZJY-AFHBHXEDSA-N 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 FOBI:050309 16549449 25829579 sesamolin 509377 HMDB0034119 C10883 443019 OJVGWDJIYBTWDS-AFHBHXEDSA-N 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 FOBI:050310 25829579 sesamolinol 91811 72307 PEYUIKBAABKQKQ-WZBLMQSHSA-N 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 FOBI:050311 episesamin C17785 188323 ZIIAJIWLQUVGHB-UHFFFAOYSA-N 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 FOBI:050312 10552853 24812440 cirsimaritin 4444947 HMDB0128581 C10058 5281628 IHFBPDAQLQOCBX-UHFFFAOYSA-N 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 FOBI:050313 10552853 24812440 hispidulin 10263992 455261 LCAZOMIGFDQMNC-FORWCCJISA-N 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/t14-,16+,17-,20-/m0/s1 FOBI:050314 rosmanol C10032 162464 VKOSQMWSWLZQPA-UHFFFAOYSA-N 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 FOBI:050315 10552853 cirsilineol 87743 97214 KLAOKWJLUQKWIF-UHFFFAOYSA-N 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 FOBI:050316 10552853 eupatorin 4527765 5379096 GLAAQZFBFGEBPS-UHFFFAOYSA-N 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 FOBI:050317 10552853 jaceosidin 388626 C01617 10185 CXQWRCVTCMQVQX-LSDHHAIUSA-N 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 FOBI:050318 24812440 dihydroquercetin 61384 HMDB0141337 C09827 68071 URFCJEUYXNAHFI-ZDUSSCGKSA-N 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/t13-/m0/s1 FOBI:050319 24812440 pinocembrin 66249 HMDB0030090 C09833 348130 DJOJDHGQRNZXQQ-AWEZNQCLSA-N 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/t14-/m0/s1 FOBI:050320 24812440 sakuranetin 4444961 HMDB0036632 C10072 5281642 VYAKIUWQLHRZGK-UHFFFAOYSA-N 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 FOBI:050321 24812440 6-hydroxyluteolin 4445014 HMDB0128587 C10184 5281697 JVXZRQGOGOXCEC-UHFFFAOYSA-N 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 FOBI:050322 24812440 scutellarein 13850247 HMDB0034121 C10452 8815 ZFMSMUAANRJZFM-UHFFFAOYSA-N InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 FOBI:050323 16190627 estragole 13876103 HMDB0005809 C10453 3314 RRAFCDWBNXTKKO-UHFFFAOYSA-N InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 FOBI:050324 16190627 eugenol 390568 HMDB0002121 C09069 2579 XUSYGBPHQBWGAD-PJSUUKDQSA-N 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 FOBI:050325 16190627 carnosol HMDB0035770 C09840 10364 RECUKUPTGUEGMW-UHFFFAOYSA-N InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3 FOBI:050326 16190627 carvacrol 8060286 HMDB0035812 LCAZOMIGFDQMNC-UHFFFAOYSA-N 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 FOBI:050327 16190627 epirosmanol 13911371 HMDB0001878 C09908 6989 MGSRCZKZVOBKFT-UHFFFAOYSA-N InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 FOBI:050328 16190627 thymol 4444924 HMDB0134890 C10023 5281605 FXNFHKRTJBSTCS-UHFFFAOYSA-N 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 FOBI:050329 baicalein 11251075 HMDB0001218 C05851 323 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H FOBI:050330 15796573 coumarin 839564 HMDB0002269 C10443 969516 ZIUSSTSXXLLKKK-KOBPDPAPSA-N 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+ FOBI:050331 25324941 curcumin 9947895 BTXZSJTULWTSJG-BIENJYKASA-N 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 FOBI:050332 17261017 isohydroxymatairesinol 8026894 HMDB0037349 17751020 FKIYLTVJPDLUDL-UHFFFAOYSA-N 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+/m0/s1 FOBI:050333 10552399 isorhoifolin 4444634 C08578 5281222 AYMYWHCQALZEGT-ORCRQEGFSA-N 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+ FOBI:050334 butein 4444937 HMDB0133330 C10047 5281618 OUMMPAFEQHTYIZ-UHFFFAOYSA-N 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 FOBI:050335 geraldone 61391 HMDB0034312 C02162 68079 DFMAXQKDIGCMTL-UHFFFAOYSA-N 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 FOBI:050336 isopimpinellin HMDB0034272 C09305 6199 ZCCUUQDIBDJBTK-UHFFFAOYSA-N InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H FOBI:050337 psoralen HMDB0014693 C01864 4114 QXKHYNVANLEOEG-UHFFFAOYSA-N 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 FOBI:050338 xanthotoxin