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CHEBI:86512 - calycosin-7-O-β-D-glucoside

ChEBI IDCHEBI:86512
ChEBI Namecalycosin-7-O-β-D-glucoside
Stars
ASCII Namecalycosin-7-O-beta-D-glucoside
DefinitionA glycosyloxyisoflavone that is calycosin substituted by a β-D-glucopyranosyl residue at position at 7 via a glycosidic linkage.
Last Modified3 March 2018
Submitternamrata
DownloadsMolfile
FormulaC22H22O10
Net Charge0
Average Mass446.408
Monoisotopic Mass446.12130
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1O
InChIInChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKeyWACBUPFEGWUGPB-MIUGBVLSSA-N
Species of MetaboliteComponentSourceComments
Astragalus mongholicus (ncbitaxon:119829) - PubMed (25844502)
ChEBI Ontology
Outgoing Relation(s)
calycosin-7-O-β-D-glucoside (CHEBI:86512) has functional parent calycosin (CHEBI:17793)
calycosin-7-O-β-D-glucoside (CHEBI:86512) is a 4'-methoxyisoflavones (CHEBI:133959)
calycosin-7-O-β-D-glucoside (CHEBI:86512) is a 7-hydroxyisoflavones 7-O-β-D-glucoside (CHEBI:140301)
calycosin-7-O-β-D-glucoside (CHEBI:86512) is a hydroxyisoflavone (CHEBI:38755)
calycosin-7-O-β-D-glucoside (CHEBI:86512) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranoside
Citations