quercetin 3,7-di-O-beta-D-glucoside (CHEBI:131497)

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CHEBI:131497 - quercetin 3,7-di-O-β-D-glucoside

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ChEBI ID	CHEBI:131497
ChEBI Name	quercetin 3,7-di-O-β-D-glucoside
Stars
ASCII Name	quercetin 3,7-di-O-beta-D-glucoside
Definition	A quercetin O-glucoside that is quercetin with two β-D-glucosyl residues attached at positions 3 and 7.
Last Modified	14 November 2016
Submitter	mwilliams
Downloads	Molfile

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

Species of Metabolite	Component	Source	Comments
Solanum lycopersicum (ncbitaxon:4081)	-	MetaboLights (MTBLS297)
Solanum habrochaites (ncbitaxon:62890)	-	MetaboLights (MTBLS297)
Delonix elata (ncbitaxon:162737)	-	PubMed (26525033)
Thalassodendron ciliatum (ncbitaxon:1522122)	-	PubMed (24443884)
Bassia muricata (ncbitaxon:267505)	aerial part (BTO:0001658)	PubMed (11454355)

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 3,7-di-O-β-D-glucoside (CHEBI:131497) has role plant metabolite (CHEBI:76924)
	quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a monosaccharide derivative (CHEBI:63367)
	quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a polyphenol (CHEBI:26195)
	quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a quercetin O-glucoside (CHEBI:64621)
	quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a trihydroxyflavone (CHEBI:27116)
	quercetin 3,7-di-O-β-D-glucoside (CHEBI:131497) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl β-D-glucopyranoside

Synonyms	Source
quercetin 3,7-O-diglucoside	ChEBI
Quercetin 3,7-diglucoside	LIPID MAPS
Quercetin-3,7-O-beta-diglucopyranoside	ChemIDplus
3,7-Diglucosylquercetin	ChemIDplus

Manual Xrefs	Databases
8297467	ChemSpider
LMPK12112100	LIPID MAPS
CPD-8033	MetaCyc

Registry Numbers	Sources
Reaxys:4345291	Reaxys
CAS:6892-74-6	ChemIDplus

Citations