Products 87099-71-6
CAS 87099-71-6 appears in our catalog under these names: 5-O-Coumaroylquinic Acid, 5-O-Coumaroylquinic acid, 98%, 98%. Offered by: TRC, Chemat, MedChemExpress. Available pack sizes: 50mg, 1mg, 5mg, Get quote.
3-p-coumaroylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 3-hydroxy group of quinic acid. It has a role as a metabolite. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a (-)-quinic acid and a 4-coumaric acid.
Source: ChEBI
| Molecular formula | C16H18O8 |
|---|---|
| Molecular weight | 338.31 g/mol |
| IUPAC name | (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid |
| InChIKey | BMRSEYFENKXDIS-QHAYPTCMSA-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 |
Computed by PubChem (NCBI)