| C16H18O9 | 354.31 g/mol |
| Name | 4-o-caffeoylquinic acid |
|---|---|
| Alternative name | 4-O-caffeoylquinic acid; Cryptochlorogenic acid |
| Formula | C16H18O9 |
| Formula Weight | 354.31 g/mol |
| Molecular Weight | 354.31 g/mol |
| Monoisotopic Mass | 354.095000 g/mol |
| InChI Key | GYFFKZTYYAFCTR-AVXJPILUSA-N |
| IUPAC | (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| SMILES | O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O |
| Food | Berry, Coffee, Green tea, |
|---|---|
| Food Source | Strawberry, Coffee, Extract, |
| Family | Phenolic |
| Class | Phenolic acid |
| Subclass Group | Hydroxycinnamic acid derivative |
| Subclass | Hydroxycinnamic acid |
| Metabolite | Hydroxycinnamic acid metabolite |