Tomato
- Group:
- Vegetables, Fruit vegetables
Showing entry for Tomato
Identification
- Name
- Tomato
- ID
- 71
- Food group
- Vegetables, Fruit vegetables
Synonyms
No Synonyms
Compounds
| Name | Structure | Monoisotopic mass | Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|---|
| β-Carotene |  C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C | 536.438201803 | C40H56 | Terpenoids | Carotenoids | Publications | Show | |
| ζ-Carotene |  CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C | 540.469501932 | C40H60 | Terpenoids | Carotenoids | Publications | Show | |
| Lutein |  C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C | 568.428031043 | C40H56O2 | Terpenoids | Carotenoids | Publications | Show | |
| Lycopene |  CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C | 536.438201803 | C40H56 | Terpenoids | Carotenoids | Publications | Show | |
| Lycoxanthin |  [H]\C(CC\C(C)=C(\[H])/C(/[H])=C(\[H])/C(/C)=C(/[H])\C(\[H])=C(/[H])\C(\C)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(\C)/C(/[H])=C(\[H])/C(/[H])=C(/C)CCC=C(C)C)=C(/C)CO | 552.433116423 | C40H56O | Terpenoids | Carotenoids | Publications | Show | |
| Mutatochrome |  C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1 | 552.433116423 | C40H56O | Terpenoids | Carotenoids | Publications | Show | |
| Campestanol |  CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C | 402.38616623 | C28H50O | Terpenoids | Phytosterols | Publications | Show | |
| Campesterol |  [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C | 400.370516166 | C28H48O | Terpenoids | Phytosterols | Publications | Show | |
| Sitostanol-beta |  CC[C@H](CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C | 416.401816294 | C29H52O | Terpenoids | Phytosterols | Publications | Show | |
| Sitosterol-beta |  CC[C@H](CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C | 414.38616623 | C29H50O | Terpenoids | Phytosterols | Publications | Show | |
| Stigmasterol |  CC[C@H](\C=C\[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C | 412.370516166 | C29H48O | Terpenoids | Phytosterols | Publications | Show | |
| Piceid (cis-) |  [H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1 | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Publications | Show | |
| Piceid (trans-) |  OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Publications | Show | |
| Resveratrol (trans-) |  OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 | 228.078644246 | C14H12O3 | Polyphenols | Stilbenes | Publications | Show | |
| Resveratrol (cis-) |  [H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1 | 228.078644246 | C14H12O3 | Polyphenols | Stilbenes | Publications | Show | |
| (+)-Lariciresinol |  COC1=C(O)C=CC(C[C@H]2CO[C@@H]([C@H]2CO)C2=CC(OC)=C(O)C=C2)=C1 | 360.157288493 | C20H24O6 | Polyphenols | Lignans | Publications | Show | |
| Tomatine |  C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@]11CC[C@H](C)CN1 | 1033.545758697 | C50H83NO21 | N-containing compounds | Alkaloids | Publications | Show | |
| Caffeic acid |  OC(=O)\C=C\C1=CC(O)=C(O)C=C1 | 180.042258738 | C9H8O4 | Polyphenols | Phenolic acids | Publications | Show | |
| 4-O-Caffeoylquinic acid |  [H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O | 354.09508216 | C16H18O9 | Polyphenols | Phenolic acids | Publications | Show | |
| Quercetin |  OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 | 302.042652662 | C15H10O7 | Polyphenols | Flavonoids | Publications | Show | |
| Naringenin |  OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1 | 272.068473486 | C15H12O5 | Polyphenols | Flavonoids | Publications | Show | |
| Coumaric acid (p-) |  OC(=O)\C=C\C1=CC=C(O)C=C1 | 164.047344118 | C9H8O3 | Polyphenols | Phenolic acids | Publications | Show | |
| (+)-Pinoresinol |  [H][C@@]12CO[C@@H](C3=CC=C(O)C(OC)=C3)[C@]1([H])CO[C@H]2C1=CC(OC)=C(O)C=C1 | 358.141638428 | C20H22O6 | Polyphenols | Lignans | Publications | Show | |
| Naringenin-7-glucoside |  OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O | 434.121296908 | C21H22O10 | Polyphenols | Flavonoids | Publications | Show | |
| 5-O-Caffeoylquinic acid |  [H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O | 354.09508216 | C16H18O9 | Polyphenols | Phenolic acids | Publications | Show | |
| Melatonin |  COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 | 232.121177763 | C13H16N2O2 | Miscellaneous phytochemicals | Not Available | Publications | Show | |
| Serotonin |  NCCC1=CNC2=C1C=C(O)C=C2 | 176.094963014 | C10H12N2O | N-containing compounds | Amines | Publications | Show | |
| Tryptamine |  NCCC1=CNC2=C1C=CC=C2 | 160.100048394 | C10H12N2 | N-containing compounds | Amines | Publications | Show | |
| Tryptophan |  NC(CC1=CNC2=C1C=CC=C2)C(O)=O | 204.089877634 | C11H12N2O2 | N-containing compounds | Amino acids | Publications | Show | |
| Rishitin |  [H]O[C@@H]1CC2=C(C([H])([H])[C@@H](CC2)C(=C([H])[H])C([H])([H])[H])[C@@]([H])([C@H]1O[H])C([H])([H])[H] | 222.161979948 | C14H22O2 | Terpenoids | Sesquiterpenoids | Publications | Show | |
| Dehydrotomatine |  C[C@H]1C2C(CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@]11CC[C@H](C)CN1 | 1031.530108632 | C50H81NO21 | N-containing compounds | Alkaloids | Publications | Show | |
| 6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline |  CC1NCCC2=C1NC1=CC=C(O)C=C21 | 202.110613079 | C12H14N2O | N-containing compounds | Miscellaneous N-containing compounds | Publications | Show | |
| Phytofluene |  CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C | 542.485151996 | C40H62 | Terpenoids | Carotenoids | Publications | Show | |
| Phytoene |  CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C | 544.500802061 | C40H64 | Terpenoids | Carotenoids | Publications | Show | |
| Ferulic acid |  COC1=C(O)C=CC(\C=C\C(O)=O)=C1 | 194.057908802 | C10H10O4 | Polyphenols | Phenolic acids | Publications | Show | |
| Phylloquinone |  CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O | 450.349780721 | C31H46O2 | Terpenoids | Diterpenoids | Publications | Show | |
| N-caproylhistamine |  CCCCCC(=O)NCCC1=CNC=N1 | 209.152812244 | C11H19N3O | N-containing compounds | Miscellaneous N-containing compounds | Publications | Show | |
| N-caproylhistidinol |  CCCCCC(=O)N[C@H](CO)CC1=CNC=N1 | 239.163376928 | C12H21N3O2 | N-containing compounds | Miscellaneous N-containing compounds | Publications | Show | |
| N-caprylhistamine |  CCCCCCCC(=O)NCCC1=CNC=N1 | 237.184112373 | C13H23N3O | N-containing compounds | Miscellaneous N-containing compounds | Publications | Show | |
| N-caprylhistidinol |  CCCCCCCC(=O)N[C@H](CO)CC1=CNC=N1 | 267.194677057 | C14H25N3O2 | N-containing compounds | Miscellaneous N-containing compounds | Publications | Show | |
| Esculeogenin B |  [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@]([H])(O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@]([H])(C)[C@]1([H])NC[C@@]([H])(CO)C[C@@]1(O)O2 | 447.334858933 | C27H45NO4 | Terpenoids | Triterpenoids | Publications | Show | |
| Tangutorid E |  [H]C([H])(C(O)C1=NC=CC2=C1NC1=CC=CC=C21)C([H])(O)C([H])(C)O | 286.131742448 | C16H18N2O3 | N-containing compounds | Alkaloids | Publications | Show | |
| Tangutorid F |  [H]C([H])(C(O)C1=NC=CC2=C1NC1=CC=CC=C21)C([H])(O)C([H])(C)O | 286.131742448 | C16H18N2O3 | N-containing compounds | Alkaloids | Publications | Show | |
| Spermidine |  NCCCCNCCCN | 145.157897624 | C7H19N3 | N-containing compounds | Amines | Publications | Show | |
| Anhydrolutein I |  C\C(\C=C\C=C(/C)\C=C\[C@@H]1C(=C)C=CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C | 550.417466359 | C40H54O | Terpenoids | Carotenoids | Publications | Show | |
| δ-Carotene |  CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C | 536.438201803 | C40H56 | Terpenoids | Carotenoids | Publications | Show |
Related Metabolites
| Name | Structure | Monoisotopic mass | Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|---|
| 4-O-Caffeoylquinic acid | [H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O | 354.09508216 | C16H18O9 | Polyphenols | Phenolic acids | Show | ||
| Benzoic acid |  OC(=O)C1=CC=CC=C1 | 122.036779433 | C7H6O2 | Polyphenols | Phenolic acids | Show | ||
| 3-Hydroxybenzoic acid |  OC(=O)C1=CC(O)=CC=C1 | 138.031694053 | C7H6O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Caffeic acid | OC(=O)\C=C\C1=CC(O)=C(O)C=C1 | 180.042258738 | C9H8O4 | Polyphenols | Phenolic acids | Show | ||
| 5-O-Caffeoylquinic acid | [H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O | 354.09508216 | C16H18O9 | Polyphenols | Phenolic acids | Show | ||
| Dihydrocaffeic acid |  OC(=O)CCC1=CC(O)=C(O)C=C1 | 182.057908802 | C9H10O4 | Polyphenols | Phenolic acids | Show | ||
| Ferulic acid | COC1=C(O)C=CC(\C=C\C(O)=O)=C1 | 194.057908802 | C10H10O4 | Polyphenols | Phenolic acids | Show | ||
| Isoferulic acid |  COC1=C(O)C=C(\C=C\C(O)=O)C=C1 | 194.057908802 | C10H10O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-(3'-Hydroxyphenyl)propionic acid |  OC(=O)CCC1=CC(O)=CC=C1 | 166.062994182 | C9H10O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-Hydroxyhippuric acid |  OC(=O)CNC(=O)C1=CC=CC(O)=C1 | 195.053157774 | C9H9NO4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Hippuric acid |  OC(=O)CNC(=O)C1=CC=CC=C1 | 179.058243154 | C9H9NO3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline sulfate |  CC1NCCC2=C1NC1=CC=C(OS(O)(=O)=O)C=C21 | 282.067428113 | C12H14N2O4S | N-containing compound metabolites | Miscellaneous N-containing compound metabolites | Show | ||
| 3-Hydroxybenzoic acid | OC(=O)C1=CC(O)=CC=C1 | 138.031694053 | C7H6O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| p-Hydroxybenzoic acid |  OC(=O)C1=CC=C(O)C=C1 | 138.031694053 | C7H6O3 | Polyphenols | Phenolic acids | Show | ||
| Benzoic acid | OC(=O)C1=CC=CC=C1 | 122.036779433 | C7H6O2 | Polyphenols | Phenolic acids | Show | ||
| Protocatechuic acid |  OC(=O)C1=CC(O)=C(O)C=C1 | 154.026608673 | C7H6O4 | Polyphenols | Phenolic acids | Show | ||
| Vanillic acid |  COC1=CC(=CC=C1O)C(O)=O | 168.042258738 | C8H8O4 | Polyphenols | Phenolic acids | Show | ||
| 3',4'-Dihydroxyphenylacetic acid |  OC(=O)CC1=CC(O)=C(O)C=C1 | 168.042258738 | C8H8O4 | Polyphenols | Phenolic acids | Show | ||
| 4'-Hydroxyphenylacetic acid |  OC(=O)CC1=CC=C(O)C=C1 | 152.047344118 | C8H8O3 | Polyphenols | Phenolic acids | Show | ||
| Caffeic acid | OC(=O)\C=C\C1=CC(O)=C(O)C=C1 | 180.042258738 | C9H8O4 | Polyphenols | Phenolic acids | Show | ||
| Catechol |  OC1=C(O)C=CC=C1 | 110.036779433 | C6H6O2 | Polyphenols | Miscellaneous polyphenols | Show | ||
| Coumaric acid (m-) |  OC(=O)\C=C\C1=CC(O)=CC=C1 | 164.047344118 | C9H8O3 | Polyphenols | Phenolic acids | Show | ||
| Dihydrocaffeic acid | OC(=O)CCC1=CC(O)=C(O)C=C1 | 182.057908802 | C9H10O4 | Polyphenols | Phenolic acids | Show | ||
| Phloretic acid |  OC(=O)CCC1=CC=C(O)C=C1 | 166.062994182 | C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| Ferulic acid | COC1=C(O)C=CC(\C=C\C(O)=O)=C1 | 194.057908802 | C10H10O4 | Polyphenols | Phenolic acids | Show | ||
| Isoferulic acid | COC1=C(O)C=C(\C=C\C(O)=O)C=C1 | 194.057908802 | C10H10O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-(3',4'-Dihydroxyphenyl)propionic acid |  OC(=O)CCC1=CC(O)=C(O)C=C1 | 182.057908802 | C9H10O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-(3'-Hydroxyphenyl)propionic acid | OC(=O)CCC1=CC(O)=CC=C1 | 166.062994182 | C9H10O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3'-Hydroxyphenylacetic acid |  OC(=O)CC1=CC(O)=CC=C1 | 152.047344118 | C8H8O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Phenylacetic acid |  OC(=O)CC1=CC=CC=C1 | 136.052429498 | C8H8O2 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-Phenylpropionic acid |  OC(=O)CCC1=CC=CC=C1 | 150.068079562 | C9H10O2 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-Hydroxyhippuric acid | OC(=O)CNC(=O)C1=CC=CC(O)=C1 | 195.053157774 | C9H9NO4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Caffeic acid sulfoglucuronide |  | 436.3485242 | C15H16O13S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydroferulic acid |  COC1=CC(CCC(O)=O)=CC=C1O | 196.073558866 | C10H12O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Ferulic acid-4'-O-glucuronide |  [H]\C(=C(\[H])C1=CC(OC)=C(O[C@H]2O[C@H]([C@H](O)[C@H](O)[C@@H]2O)C(O)=O)C=C1)C(O)=O | 370.08999678 | C16H18O10 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Ferulic acid-4'-sulfate |  COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1 | 274.014723836 | C10H10O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Ferulic acid sulfoglucuronide |  | 450.375513 | C16H18O13S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Feruloylglycine |  COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O | 251.079372523 | C12H13NO5 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Hippuric acid | OC(=O)CNC(=O)C1=CC=CC=C1 | 179.058243154 | C9H9NO3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Hydroxybenzoic acid |  | 138.1230293 | C7H6O3 | Polyphenols | Phenolic acids | Show | ||
| α-hydroxyhippuric acid |  OC(NC(=O)C1=CC=CC=C1)C(O)=O | 195.053157774 | C9H9NO4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 4-Hydroxyphenylpropionic acid |  OC(=O)CCC1=CC=C(O)C=C1 | 166.062994182 | C9H10O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Vanilloyl-glycine |  COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O | 225.063722458 | C10H11NO5 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydrocaffeic acid-3'-O-glucuronide |  O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=CC(CCC(O)=O)=C2)O[C@H]([C@@H]1O)C(O)=O | 358.08999678 | C15H18O10 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Isoferulic acid-3'-sulfate |  [H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O | 274.014723836 | C10H10O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 4-Hydroxyhippuric acid |  OC(=O)CNC(=O)C1=CC=C(O)C=C1 | 195.053157774 | C9H9NO4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Isoferulic acid-3'-O-glucuronide |  COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(\C=C\C(O)=O)C=C1 | 370.08999678 | C16H18O10 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydroisoferulic acid |  COC1=C(O)C=C(CCC(O)=O)C=C1 | 196.073558866 | C10H12O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydroisoferulic acid-3'-glucuronide |  COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(CCC(O)=O)C=C1 | 372.105646844 | C16H20O10 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydroferulic acid-4'-O-glucuronide |  COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(CCC(O)=O)=C1 | 372.105646844 | C16H20O10 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydroferulic acid-4'-sulfate |  COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1 | 276.0303739 | C10H12O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 4-Hydroxymandelic acid |  OC(C(O)=O)C1=CC=C(O)C=C1 | 168.042258738 | C8H8O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydrocaffeic acid-3-sulfate |  OC(=O)CCC1=CC(OS(O)(=O)=O)=C(O)C=C1 | 262.014723836 | C9H10O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Caffeic acid 3'-sulfate |  OC(=O)\C=C\C1=CC(OS(O)(=O)=O)=C(O)C=C1 | 259.999073772 | C9H8O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 4-Hydroxybenzoic acid -3-sulfate |  OC(=O)C1=CC=C(O)C(OS(O)(=O)=O)=C1 | 233.983423707 | C7H6O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate |  OC(=O)CCC1=CC=C(O)C(OS(O)(=O)=O)=C1 | 262.014723836 | C9H10O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| caffeic acid-3'-O-glucuronide |  OC1C(OC2=C(O)C=CC(\C=C\C(O)=O)=C2)OC(C(O)C1O)C(O)=O | 356.074346715 | C15H16O10 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| caffeic acid-4'-O-glucuronide |  OC1C(OC2=C(O)C=C(\C=C\C(O)=O)C=C2)OC(C(O)C1O)C(O)=O | 356.074346715 | C15H16O10 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| caffeic acid-4-O-sulfate |  OC(=O)\C=C\C1=CC(O)=C(OS(O)(=O)=O)C=C1 | 259.999073772 | C9H8O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3'-Methoxy-4'-hydroxyphenylacetic acid |  COC1=CC(CC(O)=O)=CC=C1O | 182.057908802 | C9H10O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-Hydroxybenzoic acid-4-sulfate |  OC(=O)CC1=CC(O)=C(OS(O)(=O)=O)C=C1 | 247.999073772 | C8H8O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Caffeic acid sulfate |  | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||||
| p-Hydroxybenzoic acid | OC(=O)C1=CC=C(O)C=C1 | 138.031694053 | C7H6O3 | Polyphenols | Phenolic acids | Show | ||
| Benzoic acid | OC(=O)C1=CC=CC=C1 | 122.036779433 | C7H6O2 | Polyphenols | Phenolic acids | Show | ||
| Coumaric acid (p-) | OC(=O)\C=C\C1=CC=C(O)C=C1 | 164.047344118 | C9H8O3 | Polyphenols | Phenolic acids | Show | ||
| Phloretic acid | OC(=O)CCC1=CC=C(O)C=C1 | 166.062994182 | C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| 3-Phenylpropionic acid | OC(=O)CCC1=CC=CC=C1 | 150.068079562 | C9H10O2 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Hippuric acid | OC(=O)CNC(=O)C1=CC=CC=C1 | 179.058243154 | C9H9NO3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Coumaric acid-4'-O-glucuronide |  O[C@H]1[C@H](OC2=CC=C(\C=C\C(O)=O)C=C2)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O | 340.079432095 | C15H16O9 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Coumaric acid-4'-sulfate |  OC(=O)\C=C\C1=CC=C(OS(O)(=O)=O)C=C1 | 244.004159152 | C9H8O6S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Coumaric acid sulfoglucuronide (p-) |  | 420.3492191 | C15H16O12S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Hydroxyesculeogenin B |  [H][C@@]12CCC3C4CC5OC6(O)C[C@H](CO)CNC6([H])[C@@H](C)C5[C@@]4(C)CCC3[C@@]1(CO)CC[C@H](O)C2 | 463.329773553 | C27H45NO5 | Terpenoid metabolites | Triterpenoid metabolites | Show | ||
| Esculeogenin B sulfate |  [H][C@@]12CCC3C4CC5OC6(O)C[C@H](CO)CNC6([H])[C@@H](C)C5[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](C2)OS(O)(=O)=O | 527.291673967 | C27H45NO7S | Terpenoid metabolites | Triterpenoid metabolites | Show | ||
| Sinapic acid-O-sulfate |  COC1=CC(\C=C\C(=O)OS(O)(=O)=O)=CC(OC)=C1O | 304.02528852 | C11H12O8S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Ferulic acid sulfoglucuronide | | 450.375513 | C16H18O13S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Ferulic acid-4'-sulfate | COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1 | 274.014723836 | C10H10O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Ferulic acid-4'-O-glucuronide | [H]\C(=C(\[H])C1=CC(OC)=C(O[C@H]2O[C@H]([C@H](O)[C@H](O)[C@@H]2O)C(O)=O)C=C1)C(O)=O | 370.08999678 | C16H18O10 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydroferulic acid | COC1=CC(CCC(O)=O)=CC=C1O | 196.073558866 | C10H12O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-Phenylpropionic acid | OC(=O)CCC1=CC=CC=C1 | 150.068079562 | C9H10O2 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 3-(3'-Hydroxyphenyl)propionic acid | OC(=O)CCC1=CC(O)=CC=C1 | 166.062994182 | C9H10O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Ferulic acid | COC1=C(O)C=CC(\C=C\C(O)=O)=C1 | 194.057908802 | C10H10O4 | Polyphenols | Phenolic acids | Show | ||
| Phloretic acid | OC(=O)CCC1=CC=C(O)C=C1 | 166.062994182 | C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| Dihydrocaffeic acid | OC(=O)CCC1=CC(O)=C(O)C=C1 | 182.057908802 | C9H10O4 | Polyphenols | Phenolic acids | Show | ||
| 3',4'-Dihydroxyphenylacetic acid | OC(=O)CC1=CC(O)=C(O)C=C1 | 168.042258738 | C8H8O4 | Polyphenols | Phenolic acids | Show | ||
| Vanillic acid | COC1=CC(=CC=C1O)C(O)=O | 168.042258738 | C8H8O4 | Polyphenols | Phenolic acids | Show | ||
| Protocatechuic acid | OC(=O)C1=CC(O)=C(O)C=C1 | 154.026608673 | C7H6O4 | Polyphenols | Phenolic acids | Show | ||
| p-Hydroxybenzoic acid | OC(=O)C1=CC=C(O)C=C1 | 138.031694053 | C7H6O3 | Polyphenols | Phenolic acids | Show | ||
| 3-Hydroxybenzoic acid | OC(=O)C1=CC(O)=CC=C1 | 138.031694053 | C7H6O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Feruloylglycine | COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O | 251.079372523 | C12H13NO5 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Hippuric acid | OC(=O)CNC(=O)C1=CC=CC=C1 | 179.058243154 | C9H9NO3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Vanilloyl-glycine | COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O | 225.063722458 | C10H11NO5 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Ferulic acid glucuronide |  | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||||
| Dihydrocaffeic acid-3-sulfate | OC(=O)CCC1=CC(OS(O)(=O)=O)=C(O)C=C1 | 262.014723836 | C9H10O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydroferulic acid-4'-sulfate | COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1 | 276.0303739 | C10H12O7S | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Dihydroferulic acid-4'-O-glucuronide | COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(CCC(O)=O)=C1 | 372.105646844 | C16H20O10 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| veratric acid |  COC1=C(OC)C=C(C=C1)C(O)=O | 182.057908802 | C9H10O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 6-Sulfatoxymelatonin |  [H]N(CCC1=CN([H])C2=CC(OS(O)(=O)=O)=C(OC)C=C12)C(C)=O | 328.072907417 | C13H16N2O6S | Miscellaneous phytochemical metabolites | Miscellaneous phytochemical metabolites | Show | ||
| N-caproylhistamine glucuronide |  | N-containing compound metabolites | Miscellaneous N-containing compound metabolites | Show | ||||
| N-caproylhistidinol glucuronide |  | N-containing compound metabolites | Miscellaneous N-containing compound metabolites | Show | ||||
| N-caprylhistamine glucuronide |  | N-containing compound metabolites | Miscellaneous N-containing compound metabolites | Show | ||||
| N-caprylhistidinol glucuronide |  | N-containing compound metabolites | Miscellaneous N-containing compound metabolites | Show | ||||
| Naringenin | OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1 | 272.068473486 | C15H12O5 | Polyphenols | Flavonoids | Show | ||
| Coumaric acid (p-) | OC(=O)\C=C\C1=CC=C(O)C=C1 | 164.047344118 | C9H8O3 | Polyphenols | Phenolic acids | Show | ||
| Phloretic acid | OC(=O)CCC1=CC=C(O)C=C1 | 166.062994182 | C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| Naringenin-glucuronide |  | 448.100561482 | C21H20O11 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Phloroglucinol |  OC1=CC(O)=CC(O)=C1 | 126.031694053 | C6H6O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Naringenin-sulfoglucuronide |  | 528.4459545 | C21H20O14S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Naringenin-sulfate |  | 352.320095 | C15H12O8S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Naringenin-diglucuronide |  | 624.5095093 | C27H28O17 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Naringenin-7-glucuronide |  OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O | 448.100561464 | C21H20O11 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Naringenin-4'-glucuronide |  OC1C(O)C(OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O | 448.100561464 | C21H20O11 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3-Phenylpropionic acid | OC(=O)CCC1=CC=CC=C1 | 150.068079562 | C9H10O2 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Phylloquinone | CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O | 450.349780721 | C31H46O2 | Terpenoids | Diterpenoids | Show | ||
| 2-methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone |  CC(CCC(O)=O)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O | 298.12050906 | C18H18O4 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| 2-methyl-3-(3'-3'-carboxymethylpropyl)-1,4-naphthoquinone |  CC(CCC1=C(C)C(=O)C2=C(C=CC=C2)C1=O)C(O)=O | 272.104858995 | C16H16O4 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Piceid (cis-) | [H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1 | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Show | ||
| Resveratrol (cis-) | [H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1 | 228.078644246 | C14H12O3 | Polyphenols | Stilbenes | Show | ||
| Resveratrol (trans-) | OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 | 228.078644246 | C14H12O3 | Polyphenols | Stilbenes | Show | ||
| Piceid (trans-) | OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Show | ||
| Piceid (cis-) | [H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1 | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Show | ||
| Dihydro-resveratrol |  OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1 | 230.094294311 | C14H14O3 | Polyphenols | Stilbenes | Show | ||
| trans-Resveratrol 3-O-glucuronide |  O[C@H]1[C@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol 3-O-sulfate |  OC1=CC=C(\C=C\C2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1 | 308.03545928 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| resveratrol-3-O-glucuronide |  [H]\C(=C(\[H])C1=CC(O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1 | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-resveratrol-5-O-glucuronide |  OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol-4'-O-glucuronide |  [H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1 | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol-3,5-disulfate |  OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1 | 387.992274314 | C14H12O9S2 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol-3,4′-disulfate |  OC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=C1 | 387.992274314 | C14H12O9S2 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Piceid-glucuronide |  | 566.164 | C26H30O14 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Piceid-sulfate |  | 470.088 | C20H22O11S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide |  OC1C(OC2=CC=C(\C=C\C3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O | 580.142820202 | C26H28O15 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide |  OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2)OC(C(O)C1O)C(O)=O | 580.142820202 | C26H28O15 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| dihydro-piceid |  OCC1OC(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O | 392.147117733 | C20H24O8 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| resveratrol-sulfate |  | 308.0355 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Dihydro-resveratrol sulfate |  | 310.0511 | C14H14O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Benzoic acid | OC(=O)C1=CC=CC=C1 | 122.036779433 | C7H6O2 | Polyphenols | Phenolic acids | Show | ||
| Protocatechuic acid | OC(=O)C1=CC(O)=C(O)C=C1 | 154.026608673 | C7H6O4 | Polyphenols | Phenolic acids | Show | ||
| 3',4'-Dihydroxyphenylacetic acid | OC(=O)CC1=CC(O)=C(O)C=C1 | 168.042258738 | C8H8O4 | Polyphenols | Phenolic acids | Show | ||
| 4-Ethylphenol |  CCC1=CC=C(O)C=C1 | 122.073164942 | C8H10O | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 4'-Hydroxyphenylacetic acid | OC(=O)CC1=CC=C(O)C=C1 | 152.047344118 | C8H8O3 | Polyphenols | Phenolic acids | Show | ||
| Phloretic acid | OC(=O)CCC1=CC=C(O)C=C1 | 166.062994182 | C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| Homovanillic acid |  COC1=CC(CC(O)=O)=CC=C1O | 182.057908802 | C9H10O4 | Polyphenols | Phenolic acids | Show | ||
| Isorhamnetin |  COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 | 316.058302726 | C16H12O7 | Polyphenols | Flavonoids | Show | ||
| Isorhamnetin 3-O-glucuronide |  [H][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O | 492.090390704 | C22H20O13 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Isorhamnetin 4'-O-glucoside |  COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 | 478.111126148 | C22H22O12 | Polyphenols | Flavonoids | Show | ||
| Quercetin | OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 | 302.042652662 | C15H10O7 | Polyphenols | Flavonoids | Show | ||
| Quercetin 3-O-glucuronide |  OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O | 478.07474064 | C21H18O13 | Polyphenols | Flavonoids | Show | ||
| 3'-Hydroxyphenylacetic acid | OC(=O)CC1=CC(O)=CC=C1 | 152.047344118 | C8H8O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Phloroglucinol | OC1=CC(O)=CC(O)=C1 | 126.031694053 | C6H6O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 2,4,6-Trihydroxybenzoic acid |  OC(=O)C1=C(O)C=C(O)C=C1O | 170.021523293 | C7H6O5 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 2-Methoxyphenylacetic acid |  COC1=CC=CC=C1CC(O)=O | 166.062994182 | C9H10O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| 4-Ethylbenzoic acid |  CCC1=CC=C(C=C1)C(O)=O | 150.068079562 | C9H10O2 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Isorhamnetin 7-O-glucuronide |  COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1 | 492.090390704 | C22H20O13 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Quercetin 3'-O-glucuronide |  O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC(=C2)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O | 478.07474064 | C21H18O13 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Quercetin 4'-O-glucuronide |  OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O | 478.07474064 | C21H18O13 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Quercetin 7-O-glucuronide |  O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C=C3)=C2)O[C@@H]([C@H]1O)C(O)=O | 478.07474064 | C21H18O13 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Quercetin glucuronide |  | 478.3663081 | C21H18O13 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Tamarixetin |  COC1=C(O)C=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O | 318.073952791 | C16H14O7 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3-Hydroxyhippuric acid | OC(=O)CNC(=O)C1=CC=CC(O)=C1 | 195.053157774 | C9H9NO4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Quercetin diglucuronide |  | C27H26O19 | (Poly)phenol metabolites | Flavonoid metabolites | Show | |||
| Methylquercetin diglucuronide |  | C28H28O19 | (Poly)phenol metabolites | Flavonoid metabolites | Show | |||
| Quercetin sulfo-glucuronide |  | C21H18O16S | (Poly)phenol metabolites | Flavonoid metabolites | Show | |||
| Isorhamnetin 4'-O-glucuronide |  COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 | 492.090390704 | C22H20O13 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Quercetin 3'-O-sulfate |  OC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C=C1 | 381.999467696 | C15H10O10S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Quercetin sulfate |  | C15H10O10S | (Poly)phenol metabolites | Flavonoid metabolites | Show | |||
| 4-Hydroxyhippuric acid | OC(=O)CNC(=O)C1=CC=C(O)C=C1 | 195.053157774 | C9H9NO4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Quercetin 7-O-sulfate |  OC1=C(O)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1 | 381.999467696 | C15H10O10S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Resorcinol glucuronide |  [H][C@@]1(OC2=CC(O)=CC=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O | 286.068867411 | C12H14O8 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Piceid (cis-) | [H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1 | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Show | ||
| Resveratrol (cis-) | [H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1 | 228.078644246 | C14H12O3 | Polyphenols | Stilbenes | Show | ||
| cis-Resveratrol-3-sulfate |  OC1=CC=C(\C=C/C2=CC(OS(O)(=O)=O)=CC(O)=C2)C=C1 | 308.03545928 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| cis-Resveratrol-4'-sulfate |  OC1=CC(\C=C/C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1 | 308.03545928 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| cis-Resveratrol-3-O-glucuronide |  OC1C(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| cis-Resveratrol-4'-O-glucuronide |  OC1C(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Piceatannol |  OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1 | 244.073558866 | C14H12O4 | Polyphenols | Stilbenes | Show | ||
| Resveratrol (trans-) | OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1 | 228.078644246 | C14H12O3 | Polyphenols | Stilbenes | Show | ||
| Piceid (trans-) | OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O | 390.131467668 | C20H22O8 | Polyphenols | Stilbenes | Show | ||
| Resveratrol (cis-) | [H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1 | 228.078644246 | C14H12O3 | Polyphenols | Stilbenes | Show | ||
| Dihydro-resveratrol | OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1 | 230.094294311 | C14H14O3 | Polyphenols | Stilbenes | Show | ||
| trans-Resveratrol 3-O-glucuronide | O[C@H]1[C@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol 3-O-sulfate | OC1=CC=C(\C=C\C2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1 | 308.03545928 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Dihydro-resveratrol-3-O-glucuronide |  OC1C(O)C(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)OC(C1O)C(O)=O | 406.126382288 | C20H22O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Dihydro-resveratrol-3-O-sulfate |  OC1=CC=C(CCC2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1 | 310.051109345 | C14H14O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-resveratrol-5-O-glucuronide | OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol-4'-O-glucuronide | [H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1 | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| resveratrol-4′-O-sulfate |  OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1 | 308.03545928 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| resveratrol sulfoglucuronide |  | 484.068 | C20H20O12S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol-3,5-disulfate | OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1 | 387.992274314 | C14H12O9S2 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol-3,4′-disulfate | OC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=C1 | 387.992274314 | C14H12O9S2 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-Resveratrol-3,4′,5-trisulfate |  OS(=O)(=O)OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1 | 467.949089348 | C14H12O12S3 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Dihydro-resveratrol-trisulfate |  | 469.965 | C14H14O12S3 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Resveratrol ribosyl sulfate |  | 440.078 | C19H20O10S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Dihydro-resveratrol-3,5-diglucuronide |  OC1C(O)C(OC2=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=CC(CCC3=CC=C(O)C=C3)=C2)OC(C1O)C(O)=O | 582.158470266 | C26H30O15 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Dihydro-resveratrol-sulfoglucuronide |  | 486.083 | C20H22O12S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| 5-methoxyresveratrol-3-O-β-glucoside |  COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(\C=C\C2=CC=C(O)C=C2)=C1 | 404.147117733 | C21H24O8 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| 5-methoxyresveratrol-3-O-sulfate |  COC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(O)C=C2)=C1 | 322.051109345 | C15H14O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Dihydro-resveratrol-disulfate |  OC1=CC=C(CCC2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1 | 390.007924379 | C14H14O9S2 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Resveratrol-glucoside-phosphate-glycerol |  [H]C(O)(CO)COP(O)(=O)OC[C@@]1([H])OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O | 544.134577992 | C23H29O13P | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Piceid-glucuronide | | 566.164 | C26H30O14 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Piceid-sulfate | | 470.088 | C20H22O11S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| resveratrol-glucoside-phosphate |  OC1C(COP(O)(O)=O)OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O | 470.097798559 | C20H23O11P | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Lunularin |  OC1=CC=C(CCC2=CC=CC(O)=C2)C=C1 | 214.099379691 | C14H14O2 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| 3,4'-dihydroxy-trans-stilbene |  OC1=CC=C(\C=C\C2=CC=CC(O)=C2)C=C1 | 212.083729626 | C14H12O2 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| cis-Resveratrol-3-sulfate | OC1=CC=C(\C=C/C2=CC(OS(O)(=O)=O)=CC(O)=C2)C=C1 | 308.03545928 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| cis-Resveratrol-4'-sulfate | OC1=CC(\C=C/C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1 | 308.03545928 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| cis-Resveratrol-3-O-glucuronide | OC1C(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| cis-Resveratrol-4'-O-glucuronide | OC1C(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O | 404.110732224 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Resveratroloside |  OCC1OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C(O)C(O)C1O | 390.131467668 | C20H22O8 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Dihydro-resveratrol sulfate | | 310.0511 | C14H14O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Dihydro-resveratrol-glucuronide |  | 406.1264 | C20H22O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| trans-resveratrol-4'-O-β-sulfate |  OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1 | 308.03545928 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| Resveratrol disulfate |  | 387.992 | C14H12O9S2 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| resveratrol glucuronide |  | 404.111 | C20H20O9 | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| resveratrol sulfate |  | 308.035 | C14H12O6S | (Poly)phenol metabolites | Stilbene metabolites | Show | ||
| 5-Hydroxyindole acetic acid |  OC(=O)CC1=CNC2=C1C=C(O)C=C2 | 191.058243154 | C10H9NO3 | N-containing compound metabolites | Amine metabolites | Show | ||
| Tangutorid E glucuronide |  | N-containing compound metabolites | Alkaloid metabolites | Show | ||||
| Tangutorid F glucuronide |  | N-containing compound metabolites | Alkaloid metabolites | Show | ||||
| Tomatidine |  C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11CC[C@H](C)CN1 | 415.345029693 | C27H45NO2 | N-containing compounds | Alkaloids | Show | ||
| Indole-3-lactic acid |  OC(=O)CC1=CNC2=CC=CC=C12 | 175.063328534 | C10H9NO2 | N-containing compound metabolites | Amino acid metabolites | Show | ||
| Indole-3-aldehyde |  OC(=O)CC1=CNC2=CC=CC=C12 | 175.063328534 | C10H9NO2 | N-containing compound metabolites | Amino acid metabolites | Show | ||
| Xanthurenic acid |  OC(=O)C1=CC(O)=C2C=CC=C(O)C2=N1 | 205.037507709 | C10H7NO4 | Miscellaneous phytochemicals | Miscellaneous phytochemicals | Show | ||
| β-Carotene | C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C | 536.438201803 | C40H56 | Terpenoids | Carotenoids | Show | ||
| Retinal |  C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O | 284.214015522 | C20H28O | Terpenoid metabolites | Carotenoid metabolites | Show | ||
| 13-apo-β-carotenone |  CC(=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C | 258.198365457 | C18H26O | Terpenoid metabolites | Carotenoid metabolites | Show |