quercetin 7,4'-di-O-beta-D-glucoside (CHEBI:131499)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131499 - quercetin 7,4'-di-O-β-D-glucoside

Take structure to advanced search

ChEBI ID	CHEBI:131499
ChEBI Name	quercetin 7,4'-di-O-β-D-glucoside
Stars
ASCII Name	quercetin 7,4'-di-O-beta-D-glucoside
Definition	A quercetin O-glucoside that is quercetin with two β-D-glucosyl residues attached at positions 7 and 4'.
Last Modified	15 November 2016
Submitter	mwilliams
Downloads	Molfile

Formula	C27H30O17
Net Charge	0
Average Mass	626.520
Monoisotopic Mass	626.14830
SMILES	O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChI	InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-9-4-11(31)16-13(5-9)41-25(22(37)19(16)34)8-1-2-12(10(30)3-8)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2/t14-,15-,17-,18-,20+,21+,23-,24-,26-,27-/m1/s1
InChIKey	QZXHFNCQMMUANB-UINLEYECSA-N

Species of Metabolite	Component	Source	Comments
Solanum habrochaites (ncbitaxon:62890)	-	MetaboLights (MTBLS297)
Solanum lycopersicum (ncbitaxon:4081)	-	MetaboLights (MTBLS297)
Rhodomyrtus tomentosa (ncbitaxon:98583)	-	PubMed (25466012)

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 7,4'-di-O-β-D-glucoside (CHEBI:131499) has role plant metabolite (CHEBI:76924)
	quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a flavonols (CHEBI:28802)
	quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a monosaccharide derivative (CHEBI:63367)
	quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a polyphenol (CHEBI:26195)
	quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a quercetin O-glucoside (CHEBI:64621)
	quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a trihydroxyflavone (CHEBI:27116)
	quercetin 7,4'-di-O-β-D-glucoside (CHEBI:131499) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
4-[7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl β-D-glucopyranoside

Synonyms	Source
Quercetin 7,4'-diglucoside	LIPID MAPS
quercetin 7,4'-O-diglucoside	ChEBI
quercetin 4',7-O-β-D-diglucoside	ChEBI
Quercetin 4',7-diglucoside	HMDB
quercetin 4',7-O-diglucoside	ChEBI

Manual Xrefs	Databases
28650550	ChemSpider
LMPK12112204	LIPID MAPS
C00005438	KNApSAcK
HMDB0037356	HMDB

Registry Numbers	Sources
Reaxys:9684271	Reaxys
CAS:42900-82-3	KNApSAcK

Citations