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

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

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ChEBI ID	CHEBI:85151
ChEBI Name	quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Stars
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.
Last Modified	9 March 2015
Submitter	namrata
Downloads	Molfile

Formula	C28H24O14
Net Charge	0
Average Mass	584.486
Monoisotopic Mass	584.11661
SMILES	O=C(OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O)c1ccc(O)cc1
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

Species of Metabolite	Component	Source	Comments
Centella asiatica (ncbitaxon:48106)	-	MetaboLights (MTBLS175)

Roles Classification

Biological Role:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	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 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)
	quercetin 3-(6''-p-hydroxybenzoylgalactoside) (CHEBI:85151) is a β-D-galactoside (CHEBI:28034)

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

Registry Numbers	Sources
Reaxys:5694409	Reaxys