CHEBI:85151 - quercetin 3-(6''-p-hydroxybenzoylgalactoside)

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ChEBI Name quercetin 3-(6''-p-hydroxybenzoylgalactoside)
ChEBI ID CHEBI:85151
ChEBI ASCII Name quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Definition A benzoate ester obtained by the formal condensation of 6''-hydroxy group of quercetin 3-O-β-D-galactopyranoside with the carboxy group of 4-hydroxybenzoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H24O14
Net Charge 0
Average Mass 584.48180
Monoisotopic Mass 584.11661
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
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
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quercetin 3-(6''-p-hydroxybenzoylgalactoside) (CHEBI:85151) has functional parent 4-hydroxybenzoic acid (CHEBI:30763)
quercetin 3-(6''-p-hydroxybenzoylgalactoside) (CHEBI:85151) has functional parent quercetin 3-O-β-D-galactopyranoside (CHEBI:67486)
quercetin 3-(6''-p-hydroxybenzoylgalactoside) (CHEBI:85151) has role plant metabolite (CHEBI:76924)
quercetin 3-(6''-p-hydroxybenzoylgalactoside) (CHEBI:85151) is a β-D-galactoside (CHEBI:28034)
quercetin 3-(6''-p-hydroxybenzoylgalactoside) (CHEBI:85151) is a benzoate ester (CHEBI:36054)
quercetin 3-(6''-p-hydroxybenzoylgalactoside) (CHEBI:85151) is a monosaccharide derivative (CHEBI:63367)
quercetin 3-(6''-p-hydroxybenzoylgalactoside) (CHEBI:85151) is a quercetin O-glycoside (CHEBI:76424)
quercetin 3-(6''-p-hydroxybenzoylgalactoside) (CHEBI:85151) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(4-hydroxybenzoyl)-β-D-galactopyranoside
Synonym Source
6''-hydroxybenzoylhyperin ChEBI
Manual Xrefs Databases
C00005949 KNApSAcK
LMPK12112070 LIPID MAPS
View more database links
Registry Number Type Source
5694409 Reaxys Registry Number Reaxys
Last Modified
09 March 2015