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quercetin 3-(6''-p-hydroxybenzoylgalactoside)

Go to external page http://purl.obolibrary.org/obo/CHEBI_85151

A benzoate ester obtained by the formal condensation of 6''-hydroxy group of quercetin 3-O-beta-D-galactopyranoside with the carboxy group of 4-hydroxybenzoic acid.

Term info

Label

quercetin 3-(6''-p-hydroxybenzoylgalactoside)

Synonyms
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(4-hydroxybenzoyl)-beta-D-galactopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(4-hydroxybenzoyl)-beta-D-galactopyranoside [ IUPAC ]

charge

0

formula

C28H24O14

has obo namespace

chebi_ontology

has related synonym

6''-hydroxybenzoylhyperin

id

CHEBI:85151

inchi

InChI=1S/C28H24O14/c29-13-4-1-11(2-5-13)27(38)39-10-19-21(34)23(36)24(37)28(41-19)42-26-22(35)20-17(33)8-14(30)9-18(20)40-25(26)12-3-6-15(31)16(32)7-12/h1-9,19,21,23-24,28-34,36-37H,10H2/t19-,21+,23+,24-,28+/m1/s1

inchikey

ODOAOGXWFNLKLU-LPLXGARPSA-N

mass

584.48180

monoisotopicmass

584.11661

smiles

O[C@H]1[C@@H](COC(=O)c2ccc(O)cc2)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O