Details of 1,5-DI-O-CAFFEOYLQUINIC-ACID
IUPAC | (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid |
Canonical Smiles | C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O |
Inchi | YDDUMTOHNYZQPO-PSEXTPKNSA-N |
PubChem ID | 6474640 |
Smiles | O=C(C=Cc1ccc(O)c(O)c1)OC1CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC(O)C1O |
Class | Cinnamic acids and derivatives |
Super Class | Phenylpropanoids (C6-C3) |
Pathways | Shikimates and Phenylpropanoids |