daidzein 7-(6-O-acetyl-beta-D-glucoside) (CHEBI:133395)

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CHEBI:133395 - daidzein 7-(6-O-acetyl-β-D-glucoside)

ChEBI ID	CHEBI:133395
ChEBI Name	daidzein 7-(6-O-acetyl-β-D-glucoside)
Stars
ASCII Name	daidzein 7-(6-O-acetyl-beta-D-glucoside)
Definition	A glycosyloxyisoflavone that is daidzein in which the phenolic hydrogen at position 7 has been replaced by a 6-O-acetyl-β-D-glucosyl residue.
Last Modified	27 February 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C23H22O10
Net Charge	0
Average Mass	458.419
Monoisotopic Mass	458.12130
SMILES	CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C23H22O10/c1-11(24)30-10-18-20(27)21(28)22(29)23(33-18)32-14-6-7-15-17(8-14)31-9-16(19(15)26)12-2-4-13(25)5-3-12/h2-9,18,20-23,25,27-29H,10H2,1H3/t18-,20-,21+,22-,23-/m1/s1
InChIKey	ZMOZJTDOTOZVRT-DODNOZFWSA-N

Species of Metabolite	Component	Source	Comments
Glycine max (ncbitaxon:3847)
	seed (BTO:0001226)	MetaboLights (MTBLS117)
	seed (BTO:0001226)	MetaboLights (MTBLS118)
	seed (BTO:0001226)	PubMed (25369450)
Homo Sapiens (ncbitaxon:9606)	-	PubMed (24490564)
Hibiscus syriacus (ncbitaxon:106335)	root (BTO:0001188)	PubMed (10617409)	Isolated from root bark

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.

human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology

Outgoing Relation(s)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) has functional parent daidzein (CHEBI:28197)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) has role human xenobiotic metabolite (CHEBI:76967)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) has role plant metabolite (CHEBI:76924)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) is a O-acyl carbohydrate (CHEBI:52782)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) is a acetate ester (CHEBI:47622)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) is a glycosyloxyisoflavone (CHEBI:74630)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) is a hydroxyisoflavone (CHEBI:38755)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) is a monosaccharide derivative (CHEBI:63367)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) is a phenols (CHEBI:33853)
	daidzein 7-(6-O-acetyl-β-D-glucoside) (CHEBI:133395) is a β-D-glucoside (CHEBI:22798)

Synonyms	Source
daidzin 6''-O-acetate	ChEBI
6''-O-Acetyldaidzin	KNApSAcK

Manual Xrefs	Databases
LMPK12050015	LIPID MAPS
C00010078	KNApSAcK
HMDB0030689	HMDB

Registry Numbers	Sources
CAS:71385-83-6	ChemIDplus

Citations