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

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ChEBI Name daidzein 7-(6-O-acetyl-β-D-glucoside)
ChEBI ID CHEBI:133395
ChEBI 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Definition A glycosyloxyisoflavone that is daidzein in which the phenolic hydrogen at position 7 has been replaced by a 6-O-acetyl-β-D-glucosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7123267, eMolecules:30512632, ZINC000015657708
Download Molfile XML SDF
Formula C23H22O10
Net Charge 0
Average Mass 458.416
Monoisotopic Mass 458.12130
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
SMILES C1(=CC=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(=O)C
Metabolite of Species Details
Hibiscus syriacus (NCBI:txid106335) Found in root (BTO:0001188). Isolated from root bark See: PubMed
Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: PubMed
Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: MetaboLights Study
Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: MetaboLights Study
Homo Sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
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)
Synonyms Sources
6''-O-Acetyldaidzin KNApSAcK
daidzin 6''-O-acetate ChEBI
Manual Xrefs Databases
C00010078 KNApSAcK
HMDB0030689 HMDB
LMPK12050015 LIPID MAPS
View more database links
Registry Number Type Source
71385-83-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
27 February 2017