3-O-methylquercetin-7-O-beta-D-glucopyranoside (CHEBI:67937)

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CHEBI:67937 - 3-O-methylquercetin-7-O-β-D-glucopyranoside

ChEBI ID	CHEBI:67937
ChEBI Name	3-O-methylquercetin-7-O-β-D-glucopyranoside
Stars
ASCII Name	3-O-methylquercetin-7-O-beta-D-glucopyranoside
Definition	A quercetin O-glucoside that is 3-O-methylquercetin attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum and Lepisorus contortus.
Last Modified	26 November 2013
Downloads	Molfile

Formula	C22H22O12
Net Charge	0
Average Mass	478.406
Monoisotopic Mass	478.11113
SMILES	COc1c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O
InChI	InChI=1S/C22H22O12/c1-31-21-17(28)15-12(26)5-9(32-22-19(30)18(29)16(27)14(7-23)34-22)6-13(15)33-20(21)8-2-3-10(24)11(25)4-8/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22-/m1/s1
InChIKey	LKXBGSZMRNJAST-UKWZQOBBSA-N

Species of Metabolite	Component	Source	Comments
Lepisorus contortus (ncbitaxon:699669)	whole plant (BTO:0001461)	PubMed (21261296)	95% EtOH extract of air-dried, powdered whole plant
Ophioglossum pedunculosum (ncbitaxon:60874)	whole plant (BTO:0001461)	PubMed (21401115)	75% EtOH extract of dried whole plant

Roles Classification

Biological Roles:

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

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)
	3-O-methylquercetin-7-O-β-D-glucopyranoside (CHEBI:67937) has role metabolite (CHEBI:25212)
	3-O-methylquercetin-7-O-β-D-glucopyranoside (CHEBI:67937) has role plant metabolite (CHEBI:76924)
	3-O-methylquercetin-7-O-β-D-glucopyranoside (CHEBI:67937) is a monosaccharide derivative (CHEBI:63367)
	3-O-methylquercetin-7-O-β-D-glucopyranoside (CHEBI:67937) is a quercetin O-glucoside (CHEBI:64621)
	3-O-methylquercetin-7-O-β-D-glucopyranoside (CHEBI:67937) is a β-D-glucoside (CHEBI:22798)

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

Synonym	Source
transilin	ChEBI

Registry Numbers	Sources
Reaxys:1277270	Reaxys

Citations