| Isoferulic acid | COC1=C(O)C=C(\C=C\C(O)=O)C=C1 | 194.057908802 | C10H10O4 | (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 |
| 3-Hydroxyhippuric acid | OC(=O)CNC(=O)C1=CC=CC(O)=C1 | 195.053157774 | C9H9NO4 | (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 |
| Dihydrocaffeic acid | OC(=O)CCC1=CC(O)=C(O)C=C1 | 182.057908802 | C9H10O4 | 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 |
| Caffeic acid | OC(=O)\C=C\C1=CC(O)=C(O)C=C1 | 180.042258738 | C9H8O4 | 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 |
| 1-methyluric acid | CN1C(=O)NC2=C(NC(=O)N2)C1=O | 182.043990069 | C6H6N4O3 | 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 |
| 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 |
| 3-Methyluric acid | CN1C2=C(NC(=O)N2)C(=O)NC1=O | 182.043990069 | C6H6N4O3 | 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 |
| 7-methylxanthine | CN1C=NC2=C1C(=O)NC(=O)N2 | 166.049075449 | C6H6N4O2 | 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 |
| 1,7-dimethyluricacid | CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2 | 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 |
| 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 |
| 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 |
| 1-methylxanthine | CN1C(=O)NC2=C(NC=N2)C1=O | 166.049075449 | C6H6N4O2 | 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 |
| 1,3-dimethyluric acid | CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O | 196.059640134 | C7H8N4O3 | 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 |
| Theobromine | CN1C=NC2=C1C(=O)NC(=O)N2C | 180.064725514 | C7H8N4O2 | N-containing compounds | Alkaloids | | Show |
| Caffeine | CN1C=NC2=C1C(=O)N(C)C(=O)N2C | 194.080375578 | C8H10N4O2 | N-containing compounds | Alkaloids | | Show |
| Isopeonidin glucuronide | | 491.4289566 | C23H23O12 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Methyl-3,4-dihydroxybenzoate | COC(=O)C1=CC=C(O)C(O)=C1 | 168.042258738 | C8H8O4 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Isovanillic acid | COC1=CC=C(C=C1O)C(O)=O | 168.042258738 | C8H8O4 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Isovanillic acid-3-O-glucuronide | COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(C=C1)C(O)=O | 344.074346715 | C14H16O10 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Isovanillic acid-3-O-sulfate | COC1=C(OS(O)(=O)=O)C=C(C=C1)C(O)=O | 247.999073772 | C8H8O7S | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| 2-Hydroxy-4-methoxybenzoic acid | COC1=CC(O)=C(C=C1)C(O)=O | 168.042258738 | C8H8O4 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Isopeonidin 3-glucoside | COC1=C(O)C=C(C=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O | 463.123487981 | C22H23O11 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Cyanidin glucuronide | | 477.4019678 | C22H21O12 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Cyanidin 3-glucoside glucuronide | | 639.5444741 | C28H31O17 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| 4-Methoxybenzaldehyde | COC1=CC=C(C=O)C=C1 | 136.052429498 | C8H8O2 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Protocatechualdehyde | OC1=CC=C(C=O)C=C1O | 138.031694053 | C7H6O3 | (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 |
| Methylcyanidin 3-glucoside-glucuronide | | 653.5714628 | C29H33O17 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Methylcyanidin glucuronide | | 491.4289566 | C23H23O12 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Methylvanillate | COC(=O)C1=CC(OC)=C(O)C=C1 | 182.057908802 | C9H10O4 | (Poly)phenol metabolites | Miscellaneous polyphenol metabolites | | Show |
| Peonidin 3-glucoside glucuronide | | 653.5714628 | C29H33O17 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Peonidin glucuronide | | 491.4289566 | C23H23O12 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Phloroglucinaldehyde | OC1=CC(O)=C(C=O)C(O)=C1 | 154.026608673 | C7H6O4 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Protocatechuic acid-3-O-glucuronide | OC1C(O)C(OC2=C(O)C=CC(=C2)C(O)=O)OC(C1O)C(O)=O | 330.058696651 | C13H14O10 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Protocatechuic acid-3-O-sulfate | OC(=O)C1=CC(OS(O)(=O)=O)=C(O)C=C1 | 233.983423707 | C7H6O7S | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Protocatechuic acid-4-O-glucuronide | OC1C(O)C(OC2=C(O)C=C(C=C2)C(O)=O)OC(C1O)C(O)=O | 330.058696651 | C13H14O10 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Protocatechuic acid-4-O-sulfate | OC(=O)C1=CC(O)=C(OS(O)(=O)=O)C=C1 | 233.983423707 | C7H6O7S | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Vanillic acid 4-O-glucuronide | COC1=CC=C(C=C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O | 344.074346715 | C14H16O10 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Vanillic acid-4-O-sulfate | COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)=O | 247.999073772 | C8H8O7S | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| 4-(1-Carboxyphenyl)beta-D-glucuronic acid | O[C@@H]1[C@@H](O)[C@@H](OC2=CC=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O | 314.063782031 | C13H14O9 | (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 |
| 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 |
| Cyanidin 3-O-glucoside | OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O | 449.107837916 | C21H21O11 | Polyphenols | Flavonoids | | Show |
| 3',4'-Dihydroxyphenylacetic acid | OC(=O)CC1=CC(O)=C(O)C=C1 | 168.042258738 | C8H8O4 | Polyphenols | Phenolic acids | | Show |
| p-Hydroxybenzaldehyde | OC1=CC=C(C=O)C=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 |
| Ferulic acid | COC1=C(O)C=CC(\C=C\C(O)=O)=C1 | 194.057908802 | C10H10O4 | Polyphenols | Phenolic acids | | Show |
| Hippuric acid | OC(=O)CNC(=O)C1=CC=CC=C1 | 179.058243154 | C9H9NO3 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| 3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid | O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=CC(=C2)C(O)=O)OC([C@H]1O)C(O)=O | 330.058696651 | C13H14O10 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| 4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid | O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O | 330.058696651 | C13H14O10 | (Poly)phenol metabolites | Phenolic acid metabolites | | Show |
| Peonidin 3-glucoside | COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O | 463.123487981 | C22H23O11 | Polyphenols | Flavonoids | | Show |
| 4'-Hydroxyphenylacetic acid | OC(=O)CC1=CC=C(O)C=C1 | 152.047344118 | C8H8O3 | Polyphenols | Phenolic acids | | Show |
| Peonidin 3-rutinoside | [H]C1=C(O[C@H]2OC(CO[C@H]3OC(C)[C@@H](O)[C@@H](O)C3O)[C@H](O)C(O)C2O)C(=[O+]C2=CC(O)=CC(O)=C12)C1=CC=C(O)C(OC)=C1 | 609.181396783 | C28H33O15 | Polyphenols | Flavonoids | | Show |
| Cyanidin 3-O-rutinoside | CC1O[C@H](OCC2O[C@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(O)C(O)[C@H]2O)C(O)[C@H](O)[C@@H]1O | 595.165746718 | C27H31O15 | Polyphenols | Flavonoids | | Show |
| Isopeonidin 3-rutinoside | [H]C1=C(O[C@H]2OC(CO[C@H]3OC(C)[C@@H](O)[C@@H](O)C3O)[C@H](O)C(O)C2O)C(=[O+]C2=CC(O)=CC(O)=C12)C1=CC=C(OC)C(O)=C1 | 609.181396783 | C28H33O15 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Delphinidin | OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1 | 303.049929114 | C15H11O7 | Polyphenols | Flavonoids | | Show |
| Delphinidin glucuronide | | | C21H19O13 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Delphinidin 3-O-glucoside | OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O | 465.102752536 | C21H21O12 | Polyphenols | Flavonoids | | Show |
| Delphinidin 3-O-rutinoside | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 611.160661338 | C27H31O16 | Polyphenols | Flavonoids | | Show |
| Myricetin 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(O)=C3)=C2)O[C@@H]([C@H]1O)C(O)=O | 494.06965526 | C21H18O14 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Myricetin 5-O-glucuronide | O[C@@H]1[C@@H](O)[C@H](OC2=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2)O[C@@H]([C@H]1O)C(O)=O | 494.06965526 | C21H18O14 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |
| Myricetin 3-O-glucuronide | O[C@@H]1[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]([C@H]1O)C(O)=O | 494.06965526 | C21H18O14 | (Poly)phenol metabolites | Flavonoid metabolites | | Show |