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4-p-coumaroylquinic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_1945

A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 4-hydroxy group of (-)-quinic acid.

Term info

Label

4-p-coumaroylquinic acid

Synonyms
  • (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid [ IUPAC ]

charge

0

formula

C16H18O8

has obo namespace

chebi_ontology

id

CHEBI:1945

inchi

InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/t11-,12-,14-,16+/m1/s1

inchikey

XWRHBGVVCOSNKO-NCZKRNLISA-N

mass

338.30930

monoisotopicmass

338.10017

smiles

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)C=Cc1ccc(O)cc1)C(O)=O