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CHEBI:179452 - Coumestrol 3-O-glucoside

ChEBI IDCHEBI:179452
ChEBI NameCoumestrol 3-O-glucoside
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FormulaC21H18O10
Net Charge0
Average Mass430.365
Monoisotopic Mass430.09000
SMILESO=c1oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)ccc2c2oc3cc(O)ccc3c12
InChIInChI=1S/C21H18O10/c22-7-14-16(24)17(25)18(26)21(31-14)28-9-2-4-11-13(6-9)30-20(27)15-10-3-1-8(23)5-12(10)29-19(11)15/h1-6,14,16-18,21-26H,7H2/t14?,16-,17+,18?,21-/m1/s1
InChIKeyJSKGNHCHUPJTOQ-YJTIBDQXSA-N
ChEBI Ontology
Outgoing Relation(s)
Coumestrol 3-O-glucoside (CHEBI:179452) is a coumestans (CHEBI:72577)
IUPAC Name 
9-hydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-[1]benzouro[3,2-c]chromen-6-one
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