Products 202650-88-2
CAS 202650-88-2 is the registry number for trans-Chlorogenic acid. Offered by: Chemat Brand. Available pack sizes: on request.
Chlorogenic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. It has a role as a plant metabolite and a food component. It is a tannin and a cinnamate ester. It is functionally related to a trans-caffeic acid and a (-)-quinic acid. It is a conjugate acid of a chlorogenate.
Source: ChEBI
| Molecular formula | C16H18O9 |
|---|---|
| Molecular weight | 354.31 g/mol |
| IUPAC name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O |
Computed by PubChem (NCBI)