Pear
- Group:
- Fruit, Pomes
Showing entry for Pear
Identification
- Name
- Pear
- ID
- 112
- Food group
- Fruit, Pomes
Synonyms
No Synonyms
Compounds
| Name | Structure | Monoisotopic mass | Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|---|
| Farnesene-alpha |  [H]C(CC([H])=C(C)C=C)=C(C)CCC=C(C)C | 204.187800773 | C15H24 | Terpenoids | Sesquiterpenoids | Publications | Show | |
| Ursolic acid |  [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O | 456.360345406 | C30H48O3 | Terpenoids | Triterpenoids | 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 | |
| Arbutin |  OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O | 272.089602855 | C12H16O7 | Polyphenols | Miscellaneous polyphenols | 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 | |
| (-)-Epicatechin |  O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O | 290.079038171 | C15H14O6 | 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 | |
| (+)-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 | |
| (+)-Catechin |  O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1 | 290.079038171 | C15H14O6 | Polyphenols | Flavonoids | Publications | Show | |
| Caffeic acid |  OC(=O)\C=C\C1=CC(O)=C(O)C=C1 | 180.042258738 | C9H8O4 | Polyphenols | Phenolic acids | Publications | Show |
Related Metabolites
| Name | Structure | Monoisotopic mass | Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|---|
| (-)-Epicatechin | O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O | 290.079038171 | C15H14O6 | Polyphenols | Flavonoids | Show | ||
| 4'-Hydroxyphenylacetic acid |  OC(=O)CC1=CC=C(O)C=C1 | 152.047344118 | C8H8O3 | Polyphenols | Phenolic acids | Show | ||
| (-)-Epicatechin 3'-O-glucuronide |  O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C1)C=C(O)C=C2O | 466.111126148 | C21H22O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (-)-Epicatechin 3'-O-sulfate |  [H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(OS(O)(=O)=O)=C(O)C=C1 | 370.035853205 | C15H14O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (-)-Epicatechin 4'-O-glucuronide |  O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(OC3C(O)OC(C(O)C3O)C(O)=O)C=C1)C=C(O)C=C2O | 466.111126148 | C21H22O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (-)-Epicatechin 4'-O-sulfate |  [H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(OS(O)(=O)=O)C=C1 | 370.035853205 | C15H14O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (-)-Epicatechin 5-O-sulfate |  [H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O | 370.035853205 | C15H14O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (-)-Epicatechin 7-O-glucuronide |  O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(OC1C(O)OC(C(O)C1O)C(O)=O)C=C2O | 466.111126148 | C21H22O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (-)-Epicatechin glucuronide |  | 466.3989068 | C21H22O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (-)-Epicatechin sulfoglucuronide |  | 546.4612115 | C21H22O15S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (Epi)catechin O-glucuronide |  | 466.3989068 | C21H22O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (Epi)catechin O-sulfate |  | 370.335352 | C15H14O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol |  OC(CC1=CC(O)=C(O)C=C1)CC1=C(O)C=C(O)C=C1O | 292.094688235 | C15H16O6 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol |  | 276.2896941 | C15H16O5 | (Poly)phenol metabolites | Flavonoid 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 | ||
| 3'-O-Methyl-(-)-epicatechin 4'-O-sulfate |  [H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1 | 384.051503269 | C16H16O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3'-O-Methyl-(-)-epicatechin 5-O-sulfate |  [H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(OC)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O | 384.051503269 | C16H16O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3'-O-Methyl-(-)-epicatechin 7-O-sulfate |  [H][C@@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1 | 384.051503269 | C16H16O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3'-O-Methyl-(-)-epicatechin glucuronide |  | 480.4258956 | C22H24O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3'-O-Methyl(epi)catechin O-sulfate |  | 384.3623408 | C16H16O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 4'-O-Methyl-(-)-epicatechin 5-O-sulfate |  [H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2OS(O)(=O)=O | 384.051503269 | C16H16O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 4'-O-Methyl-(-)-epicatechin 7-O-sulfate |  [H][C@@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1 | 384.051503269 | C16H16O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 4'-O-Methyl-(-)-epicatechin glucuronide |  | 480.4258956 | C22H24O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 4'-O-methyl(epi)catechin O-sulfate |  | 384.3623408 | C16H16O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone |  OC1=C(O)C=C(CC2CCC(=O)O2)C=C1 | 208.073558866 | C11H12O4 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3',4'-dihydroxyphenyl)valeric acid |  OC(=O)CCCCC1=CC(O)=C(O)C=C1 | 210.089208931 | C11H14O4 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3'-hydroxyphenyl)valeric acid |  OC(=O)CCCCC1=CC=CC(O)=C1 | 194.094294311 | C11H14O3 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Methyl-(-)-epicatechin sulfate |  | 384.3623408 | C16H16O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Methyl-(-)-epicatechin sulfoglucuronide |  | 560.4882003 | C22H24O15S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Phenylacetic acid |  OC(=O)CC1=CC=CC=C1 | 136.052429498 | C8H8O2 | (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 | ||
| 5-(3'-Hydroxyphenyl)-gamma-valerolactone |  OC1=CC=CC(CC2CCC(=O)O2)=C1 | 192.078644246 | C11H12O3 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3-(3'-Hydroxyphenyl)hydracrylic acid |  OC(CC(O)=O)C1=CC(O)=CC=C1 | 182.057908802 | C9H10O4 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| (-)-Epicatechin-5-O-glucuronide |  O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2OC1OC(C(O)C(O)C1O)C(O)=O | 466.111126148 | C21H22O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3'-O-Methoxy-(-)-epicatechin-5-O-glucuronide |  COC1=CC(=CC=C1O)[C@H]1OC2=CC(O)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2C[C@H]1O | 480.126776213 | C22H24O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide |  OC(CCC(O)=O)CC1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)=C1 | 402.116211528 | C17H22O11 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (-)-Epicatechin-7-O-glucuronide |  O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O | 466.111126148 | C21H22O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3'-O-Methyl-epicatechin |  COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2 | 304.094688235 | C16H16O6 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide |  COC1=CC(CC(O)CCC(O)=O)=CC=C1OC1OC(C(O)C(O)C1O)C(O)=O | 416.131861593 | C18H24O11 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid |  OC(CCC(O)=O)CC1=CC=CC(O)=C1 | 210.089208931 | C11H14O4 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate |  OC(CCC(O)=O)CC1=CC=CC(OS(O)(=O)=O)=C1 | 290.046023965 | C11H14O7S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(Phenyl)-gamma-valerolactone-3'-sulfate |  OS(=O)(=O)OC1=CC(CC2CCC(=O)O2)=CC=C1 | 272.03545928 | C11H12O6S | (Poly)phenol metabolites | Flavonoid 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 | ||
| 5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide |  OC1C(O)C(OC2=CC=C(CC3CCC(=O)O3)C=C2O)OC(C1O)C(O)=O | 384.105646844 | C17H20O10 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate |  OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1OS(O)(=O)=O | 288.0303739 | C11H12O7S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(4’-hydroxyphenyl)-gamma-valerolactone |  OC1=CC=C(CC2CCC(=O)O2)C=C1 | 192.078644246 | C11H12O3 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3'-Methyl-epicatechin-7-O-glucuronide |  COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OC1OC(C(O)C(O)C1O)C(O)=O)=C2 | 480.126776213 | C22H24O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate |  OC(CCC(O)=O)CC1=CC(OS(O)(=O)=O)=C(O)C=C1 | 306.040938585 | C11H14O8S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3',4'-dihydroxyphenyl)-γ-valerolactone |  OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1O | 208.073558866 | C11H12O4 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate |  OC1=CC=C(CC2CCC(=O)O2)C=C1OS(O)(=O)=O | 288.0303739 | C11H12O7S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide |  O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC=C2O)O[C@@H]([C@H]1O)C(O)=O | 384.105646844 | C17H20O10 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (−)-Epicatechin-7-sulfate |  O[C@@H]1CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1 | 370.035853205 | C15H14O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3′-Methoxy-(−)-epicatechin-7-glucuronide |  [H][C@@]1(O)CC2=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1 | 480.126776213 | C22H24O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(Phenyl)-γ-valerolactone-sulfate-glucuronide |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| Dihydroxyphenylacetic acid-sulfate |  | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||||
| 5-(Phenyl)-γ-valerolactone-glucuronide |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Hydroxyphenyl)-γ-valerolactone-glucuronide |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Phenyl)-γ-valerolactone-3′,5′-disulfate |  OS(=O)(=O)OC1=CC(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1 | 367.987188934 | C11H12O10S2 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(Phenyl)-γ-valerolactone-4',5'-disulfate |  OS(=O)(=O)OC1=C(OS(O)(=O)=O)C=C(C[C@H]2CCC(=O)O2)C=C1 | 367.987188934 | C11H12O10S2 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(Phenyl)-γ-valerolactone-methoxy-glucuronide |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| Methoxy-(epi)catechin-sulfate |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Dihydroxyphenyl)-γ-valerolactone-glucuronide |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Dihydroxyphenyl)-γ-valerolactone-sulfate |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Hydroxyphenyl)-γ-valerolactone-sulfate |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Phenyl)-γ-valerolactone-methoxy-sulfate |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Phenyl)-γ-valerolactone-4′-sulfate |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Phenyl)-γ-valerolactone-3′-glucuronide |  O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC=C2)OC([C@H]1O)C(O)=O | 368.110732224 | C17H20O9 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate |  OC1=CC(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1 | 288.0303739 | C11H12O7S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide |  O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC(O)=C2)OC([C@H]1O)C(O)=O | 384.105646844 | C17H20O10 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(Phenyl)-γ-valerolactone-4′-methoxy-3′-sulfate |  COC1=C(OS(O)(=O)=O)C=C(C[C@H]2CCC(=O)O2)C=C1 | 302.046023965 | C12H14O7S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Methoxy-(epi)catechin-glucuronide |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate |  COC1=CC(C[C@H]2CCC(=O)O2)=CC=C1OS(O)(=O)=O | 302.046023965 | C12H14O7S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate |  OC(CCC(O)=O)CC1=CC=CC(OS(O)(=O)=O)=C1 | 290.046023965 | C11H14O7S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3'-Methoxy-(−)-epicatechin-glucuronide |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 5-(3′-Hydroxyphenyl)-γ-valerolactone-4′-glucuronide |  O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C[C@H]3CCC(=O)O3)C=C2O)O[C@@H]([C@H]1O)C(O)=O | 384.105646844 | C17H20O10 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone |  OC1=CC(C[C@H]2CCC(=O)O2)=CC(O)=C1 | 208.073558866 | C11H12O4 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Methoxy-(−)-epicatechin-sulfate |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide |  O[C@H](CCC(O)=O)CC1=CC=C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)=C1 | 402.116211528 | C17H22O11 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(Phenyl)-valeric acid-sulfate-glucuronide |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 4-Hydroxy-5-(phenyl)valeric acid-methoxy-sulfate |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 3′-Methoxy-(−)-epicatechin-5′-glucuronide |  [H][C@@]1(O)CC2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1 | 480.126776213 | C22H24O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(Phenyl)-γ-valerolactone-sulfate |  | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 4′-methoxy-(−)-epicatechin-7-β-D-glucuronide |  [H][C@@]1(O)CC2=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1 | 480.126776213 | C22H24O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (+)-Catechin | O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1 | 290.079038171 | C15H14O6 | Polyphenols | Flavonoids | Show | ||
| 4'-Hydroxyphenylacetic acid | OC(=O)CC1=CC=C(O)C=C1 | 152.047344118 | C8H8O3 | Polyphenols | Phenolic acids | Show | ||
| (Epi)catechin O-glucuronide | | 466.3989068 | C21H22O12 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| (Epi)catechin O-sulfate | | 370.335352 | C15H14O9S | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone | OC1=C(O)C=C(CC2CCC(=O)O2)C=C1 | 208.073558866 | C11H12O4 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(3',4'-dihydroxyphenyl)valeric acid | OC(=O)CCCCC1=CC(O)=C(O)C=C1 | 210.089208931 | C11H14O4 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 5-(4’-hydroxyphenyl)-gamma-valerolactone | OC1=CC=C(CC2CCC(=O)O2)C=C1 | 192.078644246 | C11H12O3 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| Methoxy-(epi)catechin-sulfate | | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| Methoxy-(epi)catechin-glucuronide | | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||||
| 3'-Methoxy-(+)-catechin |  COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@@H]1O)C(O)=CC(O)=C2 | 304.094688235 | C16H16O6 | (Poly)phenol metabolites | Flavonoid metabolites | Show | ||
| 3-Hydroxybenzoic acid |  OC(=O)C1=CC(O)=CC=C1 | 138.031694053 | C7H6O3 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Benzoic acid |  OC(=O)C1=CC=CC=C1 | 122.036779433 | C7H6O2 | Polyphenols | Phenolic acids | 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 | ||
| Hydroquinone |  OC1=CC=C(O)C=C1 | 110.036779433 | C6H6O2 | (Poly)phenol metabolites | Miscellaneous polyphenol metabolites | Show | ||
| Hydroquinone glucuronide |  O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O | 286.068867411 | C12H14O8 | (Poly)phenol metabolites | Phenolic acid metabolites | Show | ||
| Hydroquinone sulfate |  OC1=CC=C(OS(O)(=O)=O)C=C1 | 189.993594467 | C6H6O5S | (Poly)phenol metabolites | Phenolic acid 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 |
Biomarkers of intake
No Biomarkers of intake found