| 3-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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 3',4'-Dihydroxyphenylacetic acid | OC(=O)CC1=CC(O)=C(O)C=C1 | 168.042258738 | C8H8O4 | Polyphenols | Phenolic acids | | Show |
| Homovanillic acid | COC1=CC(CC(O)=O)=CC=C1O | 182.057908802 | C9H10O4 | Polyphenols | Phenolic acids | | 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 |
| 3'-Hydroxyphenylacetic acid | OC(=O)CC1=CC(O)=CC=C1 | 152.047344118 | C8H8O3 | (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 |
| 4-Hydroxyhippuric acid | OC(=O)CNC(=O)C1=CC=C(O)C=C1 | 195.053157774 | C9H9NO4 | (Poly)phenol metabolites | Phenolic acid 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 |