biochanin A 7-O-beta-D-glucoside (CHEBI:28751)

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CHEBI:28751 - biochanin A 7-O-β-D-glucoside

ChEBI ID	CHEBI:28751
ChEBI Name	biochanin A 7-O-β-D-glucoside
Stars
ASCII Name	biochanin A 7-O-beta-D-glucoside
Definition	A glycosyloxyisoflavone that is biochanin A attached to a β-D-glucopyranosyl residue at position 7 via glycosidic linkage.
Secondary ChEBI IDs	CHEBI:3106, CHEBI:22877
Last Modified	3 March 2018
Downloads	Molfile

Formula	C22H22O10
Net Charge	0
Average Mass	446.408
Monoisotopic Mass	446.12130
SMILES	COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1
InChI	InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChIKey	LFEUICHQZGNOHD-RECXWPGBSA-N

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.

phytoestrogen Any compound produced by a plant that happens to have estrogenic activity.

ChEBI Ontology

Outgoing Relation(s)
	biochanin A 7-O-β-D-glucoside (CHEBI:28751) has functional parent biochanin A (CHEBI:17574)
	biochanin A 7-O-β-D-glucoside (CHEBI:28751) has role phytoestrogen (CHEBI:76989)
	biochanin A 7-O-β-D-glucoside (CHEBI:28751) has role plant metabolite (CHEBI:76924)
	biochanin A 7-O-β-D-glucoside (CHEBI:28751) is a 4'-methoxyisoflavones (CHEBI:133959)
	biochanin A 7-O-β-D-glucoside (CHEBI:28751) is a 7-hydroxyisoflavones 7-O-β-D-glucoside (CHEBI:140301)
	biochanin A 7-O-β-D-glucoside (CHEBI:28751) is a hydroxyisoflavone (CHEBI:38755)
	biochanin A 7-O-β-D-glucoside (CHEBI:28751) is conjugate acid of biochanin A 7-O-β-D-glucoside(1−) (CHEBI:77804)
Incoming Relation(s)
Incoming Relation(s)	biochanin A 7-O-β-D-glucoside(1−) (CHEBI:77804) is conjugate base of biochanin A 7-O-β-D-glucoside (CHEBI:28751)

IUPAC Name
5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

Synonyms	Source
Biochanin A-beta-D-glucoside	KEGG COMPOUND
biochanin A 7-O-β-D-glucoside	IUBMB
sissotrin	HMDB
Sissotrin	KEGG COMPOUND
Biochanin A 7-O-beta-D-glucoside	KEGG COMPOUND

Manual Xrefs	Databases
C05376	KEGG COMPOUND
C05376	KEGG COMPOUND
HMDB0033990	HMDB

Registry Numbers	Sources
Reaxys:1302649	Reaxys
CAS:5928-26-7	KEGG COMPOUND

Citations