OntologiesslmclassesCHEBI:88343   
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1-caffeoyl-5-feruloylquinic acidImported
http://purl.obolibrary.org/obo/CHEBI_88343

A quinic acid that is (-)-quinic acid acylated at positions 1 and 5 by caffeoyl and feruloyl groups respectively.

Defined bychebi
Exact Synonyms
(1R,3R,4S,5R)-1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
Related Synonyms
1-O-caffeoyl-5-O-feruloylquinic acid
class Information
charge

0

formula

C26H26O12

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)4-8-22(31)37-21-13-26(25(34)35,12-19(30)24(21)33)38-23(32)9-5-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)/b8-4+,9-5+/t19-,21-,24+,26-/m1/s1

inchikey

DJXURFUTIYZESV-BQYLRUKMSA-N

in_subset

3_STAR

mass

530.478

monoisotopicmass

530.14243

smiles

C(=O)(/C=C/C1=CC=C(O)C(O)=C1)O[C@@]2(C[C@@H](O)[C@@H]([C@@H](C2)OC(=O)/C=C/C3=CC(=C(O)C=C3)OC)O)C(O)=O

class Relations