glycitein 7-(6-O-acetyl-beta-D-glucoside) (CHEBI:133348)

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CHEBI:133348 - glycitein 7-(6-O-acetyl-β-D-glucoside)

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ChEBI ID	CHEBI:133348
ChEBI Name	glycitein 7-(6-O-acetyl-β-D-glucoside)
Stars
ASCII Name	glycitein 7-(6-O-acetyl-beta-D-glucoside)
Definition	A glycosyloxyisoflavone that is glycitin carrying an acetyl substituent at position 6 on the glucose moiety.
Last Modified	24 February 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C24H24O11
Net Charge	0
Average Mass	488.445
Monoisotopic Mass	488.13186
SMILES	COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
InChIKey	DUBPGEJGGVZKDD-PFKOEMKTSA-N

Species of Metabolite	Component	Source	Comments
Glycine max (ncbitaxon:3847)
	seed (BTO:0001226)	MetaboLights (MTBLS117)
	seed (BTO:0001226)	PubMed (25369450)
	seed (BTO:0001226)	MetaboLights (MTBLS118)

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)
	glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) has functional parent glycitin (CHEBI:80373)
	glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) has role plant metabolite (CHEBI:76924)
	glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) is a O-acyl carbohydrate (CHEBI:52782)
	glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) is a acetate ester (CHEBI:47622)
	glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) is a glycosyloxyisoflavone (CHEBI:74630)
	glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) is a hydroxyisoflavone (CHEBI:38755)
	glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) is a methoxyisoflavone (CHEBI:38756)
	glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) is a monosaccharide derivative (CHEBI:63367)
	glycitein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133348) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-β-D-glucopyranoside

Synonyms	Source
6''-O-Acetylglycitin	HMDB
7,4'-Dihydroxy-6-methoxyisoflavone 7-O-(6''-acetylglucoside)	KNApSAcK
Acetylglycitin	ChemIDplus
Glycitein 6''-O-acetylglucoside	ChemIDplus
Glycitein 7-(6-O-acetyl-beta-D-glucopyranoside)	ChemIDplus
glycitein 7-O-β-D-(6''-O-acetyl)glucopyranoside	ChEBI

Manual Xrefs	Databases
8403585	ChemSpider
C00019122	KNApSAcK
HMDB0039489	HMDB

Registry Numbers	Sources
Reaxys:4341444	Reaxys
CAS:134859-96-4	ChemIDplus

Citations