myricetin 3'-O-beta-D-glucopyranoside (CHEBI:75816)

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CHEBI:75816 - myricetin 3'-O-β-D-glucopyranoside

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ChEBI ID	CHEBI:75816
ChEBI Name	myricetin 3'-O-β-D-glucopyranoside
Stars
ASCII Name	myricetin 3'-O-beta-D-glucopyranoside
Definition	A myricetin O-glucoside that is myricetin with a β-D-glucosyl residue attached at position 3'.
Last Modified	28 November 2013
Submitter	mwilliams
Downloads	Molfile

Formula	C21H20O13
Net Charge	0
Average Mass	480.378
Monoisotopic Mass	480.09039
SMILES	O=c1c(O)c(-c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12
InChI	InChI=1S/C21H20O13/c22-5-12-15(27)17(29)19(31)21(34-12)33-11-2-6(1-9(25)14(11)26)20-18(30)16(28)13-8(24)3-7(23)4-10(13)32-20/h1-4,12,15,17,19,21-27,29-31H,5H2/t12-,15-,17+,19-,21-/m1/s1
InChIKey	ZJYAVUPWMNHHEU-GFOOFYSOSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	myricetin 3'-O-β-D-glucopyranoside (CHEBI:75816) has functional parent β-D-glucose (CHEBI:15903)
	myricetin 3'-O-β-D-glucopyranoside (CHEBI:75816) has role metabolite (CHEBI:25212)
	myricetin 3'-O-β-D-glucopyranoside (CHEBI:75816) is a flavonols (CHEBI:28802)
	myricetin 3'-O-β-D-glucopyranoside (CHEBI:75816) is a monosaccharide derivative (CHEBI:63367)
	myricetin 3'-O-β-D-glucopyranoside (CHEBI:75816) is a myricetin O-glucoside (CHEBI:75812)
	myricetin 3'-O-β-D-glucopyranoside (CHEBI:75816) is a pentahydroxyflavone (CHEBI:25883)
	myricetin 3'-O-β-D-glucopyranoside (CHEBI:75816) is a β-D-glucoside (CHEBI:22798)

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

Synonym	Source
cannabiscitrin	ChEBI

Registry Numbers	Sources
Reaxys:69547	Reaxys