| C16H18O9 | 354.31 g/mol |
| Name | Malonyl caffeoylquinic acid |
|---|---|
| Alternative name | cis-chlorogenic acid; Cis-5-Caffeoylquinic acid |
| Formula | C16H18O9 |
| Formula Weight | 354.31 g/mol |
| Molecular Weight | 354.31 g/mol |
| Monoisotopic Mass | 354.095000 g/mol |
| InChI Key | CWVRJTMFETXNAD-XYXZIBEBSA-N |
| IUPAC | (1S,3R,4R,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14-,16+/m1/s1 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O |
| Food | Berry, |
|---|---|
| Food Source | Strawberry, |
| Family | Phenolic |
| Class | Phenolic acid |
| Subclass Group | Hydroxycinnamic acid derivative |
| Subclass | Hydroxycinnamic acid |
| Metabolite | Hydroxycinnamic acid derivative metabolite |