quercetin 4'-O-beta-D-glucopyranoside (CHEBI:75839)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:75839 - quercetin 4'-O-β-D-glucopyranoside

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:75839
ChEBI Name	quercetin 4'-O-β-D-glucopyranoside
Stars
ASCII Name	quercetin 4'-O-beta-D-glucopyranoside
Definition	A quercetin O-glucoside that is quercetin with a β-D-glucosyl residue attached at position 4'.
Last Modified	9 January 2014
Submitter	mwilliams
Downloads	Molfile

Formula	C21H20O12
Net Charge	0
Average Mass	464.379
Monoisotopic Mass	464.09548
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)cc(O)c12
InChI	InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
InChIKey	OIUBYZLTFSLSBY-HMGRVEAOSA-N

Wikipedia

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) has functional parent β-D-glucose (CHEBI:15903)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) has role antineoplastic agent (CHEBI:35610)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) has role antioxidant (CHEBI:22586)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) has role plant metabolite (CHEBI:76924)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) is a flavonols (CHEBI:28802)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) is a monosaccharide derivative (CHEBI:63367)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) is a quercetin O-glucoside (CHEBI:64621)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) is a tetrahydroxyflavone (CHEBI:38684)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) is a β-D-glucoside (CHEBI:22798)
	quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839) is conjugate acid of quercetin 4'-O-β-D-glucopyranoside(1−) (CHEBI:187902)
Incoming Relation(s)
Incoming Relation(s)	quercetin 4'-O-β-D-glucopyranoside(1−) (CHEBI:187902) is conjugate base of quercetin 4'-O-β-D-glucopyranoside (CHEBI:75839)

IUPAC Name
2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside

Synonyms	Source
Spiraein	HMDB
Spiraeoside	HMDB

Manual Xrefs	Databases
HMDB0037932	HMDB
KR20100138395	Patent
Spiraeoside	Wikipedia

Registry Numbers	Sources
Reaxys:68011	Reaxys
CAS:20229-56-5	ChemIDplus

Citations