Tea
- Group:
- Teas and herbal teas
Showing entry for Tea
Identification
- Name
- Tea
- ID
- 151
- Food group
- Teas and herbal teas
Synonyms
No Synonyms
Compounds
| Name | Structure | Monoisotopic mass | Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|---|
| Hotrienol |  [H]\C(CC(C)(O)C=C)=C(\[H])C(C)=C | 152.120115135 | C10H16O | Terpenoids | Monoterpenoids | Publications | Show | |
| Barringtogenol C |  CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O | 490.36582471 | C30H50O5 | Terpenoids | Triterpenoids | Publications | Show | |
| Theasaponin |  [H][C@@]12CC(C)(C)[C@@H](OC(=O)C(\C)=C/C)[C@H](OC(C)=O)[C@]1(CO)[C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C | 1232.582597702 | C59H92O27 | Terpenoids | Triterpenoids | Publications | Show | |
| Phytol |  CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CO | 296.307915908 | C20H40O | Terpenoids | Diterpenoids | 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 | |
| Caffeine |  CN1C=NC2=C1C(=O)N(C)C(=O)N2C | 194.080375578 | C8H10N4O2 | N-containing compounds | Alkaloids | Publications | Show | |
| Theobromine |  CN1C=NC2=C1C(=O)NC(=O)N2C | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | Publications | Show | |
| Theophylline |  CN1C2=C(NC=N2)C(=O)N(C)C1=O | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | 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 | ||
| Caffeine | CN1C=NC2=C1C(=O)N(C)C(=O)N2C | 194.080375578 | C8H10N4O2 | N-containing compounds | Alkaloids | Show | ||
| Theobromine | CN1C=NC2=C1C(=O)NC(=O)N2C | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | Show | ||
| Theophylline | CN1C2=C(NC=N2)C(=O)N(C)C1=O | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | Show | ||
| 1,3-dimethyluric acid |  CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O | 196.059640134 | C7H8N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 1,3,7-Trimethyluric acid |  CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C | 210.075290198 | C8H10N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 1-methylxanthine |  CN1C(=O)NC2=C(NC=N2)C1=O | 166.049075449 | C6H6N4O2 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 5-acetyl-amino-6-amino-3-methyluracil |  CN1C(=O)NC(N)=C(NC(C)=O)C1=O | 198.075290198 | C7H10N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 5-acetylamino-6-formylamino-3-methyluracil |  CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O | 226.070204818 | C8H10N4O4 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| Paraxanthine |  CN1C=NC2=C1C(=O)N(C)C(=O)N2 | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | Show | ||
| 1-methyluric acid |  CN1C(=O)NC2=C(NC(=O)N2)C1=O | 182.043990069 | C6H6N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 1,7-dimethyluricacid |  CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2 | 196.059640134 | C7H8N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 3-methylxanthine |  CN1C2=C(NC=N2)C(=O)NC1=O | 166.049075449 | C6H6N4O2 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 7-methylxanthine |  CN1C=NC2=C1C(=O)NC(=O)N2 | 166.049075449 | C6H6N4O2 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 7-methyluric acid |  CN1C(=O)NC2=C1C(=O)NC(=O)N2 | 182.043990069 | C6H6N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 3-Methyluric acid |  CN1C2=C(NC(=O)N2)C(=O)NC1=O | 182.043990069 | C6H6N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 6-Amino-5(N-methylformylamino)-1-methyluracil |  CN(C=O)C1=C(N)N(C)C(=O)NC1=O | 198.075290198 | C7H10N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 4-Amino-(5-formylmethyl- amino) 1,3-dimethyluracil |  CN1C(=O)N(C)C(=O)C(NC=O)=C1N | 198.075290198 | C7H10N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| Phytanic acid |  CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CC(O)=O | 312.302830528 | C20H40O2 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Phytenic acid (trans-delta 2-) |  [H]\C(C(O)=O)=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C | 310.287180464 | C20H38O2 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Phytenic acid (cis-delta 2-) |  [H]\C(C(O)=O)=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C | 310.287180464 | C20H38O2 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Phytenic acid (trans-delta 3-) |  [H]\C(CC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(\C)CC(O)=O | 310.287180464 | C20H38O2 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Phytenic acid (cis-delta 3-) |  [H]\C(CC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(/C)CC(O)=O | 310.287180464 | C20H38O2 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Phytenic acid (3-methylene) |  CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(=C)CC(O)=O | 310.287180464 | C20H38O2 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Hydroxyphytanic acid (alpha-) |  CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C(O)C(O)=O | 328.297745148 | C20H40O3 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Pristanic acid |  CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O | 298.287180464 | C19H38O2 | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Caffeine | CN1C=NC2=C1C(=O)N(C)C(=O)N2C | 194.080375578 | C8H10N4O2 | N-containing compounds | Alkaloids | Show | ||
| Theobromine | CN1C=NC2=C1C(=O)NC(=O)N2C | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | Show | ||
| 1-methylxanthine | CN1C(=O)NC2=C(NC=N2)C1=O | 166.049075449 | C6H6N4O2 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 3,7 dimethyluric acid |  CN1C(=O)NC2=C1C(=O)NC(=O)N2C | 196.059640134 | C7H8N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| Paraxanthine | CN1C=NC2=C1C(=O)N(C)C(=O)N2 | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | Show | ||
| 1,7-dimethyluricacid | CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2 | 196.059640134 | C7H8N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 3-methylxanthine | CN1C2=C(NC=N2)C(=O)NC1=O | 166.049075449 | C6H6N4O2 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 7-methylxanthine | CN1C=NC2=C1C(=O)NC(=O)N2 | 166.049075449 | C6H6N4O2 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 7-methyluric acid | CN1C(=O)NC2=C1C(=O)NC(=O)N2 | 182.043990069 | C6H6N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 6-Amino-5(N-methylformylamino)-1-methyluracil | CN(C=O)C1=C(N)N(C)C(=O)NC1=O | 198.075290198 | C7H10N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| Theophylline | CN1C2=C(NC=N2)C(=O)N(C)C1=O | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | Show | ||
| 1,3-dimethyluric acid | CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O | 196.059640134 | C7H8N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 1-methylxanthine | CN1C(=O)NC2=C(NC=N2)C1=O | 166.049075449 | C6H6N4O2 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| Paraxanthine | CN1C=NC2=C1C(=O)N(C)C(=O)N2 | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | Show | ||
| 1-methyluric acid | CN1C(=O)NC2=C(NC(=O)N2)C1=O | 182.043990069 | C6H6N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| 3-methylxanthine | CN1C2=C(NC=N2)C(=O)NC1=O | 166.049075449 | C6H6N4O2 | N-containing compound metabolites | Alkaloid metabolites | Show |
Biomarkers of intake
No Biomarkers of intake found