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CHEBI:53111 - 3-acetyl-7-β-D-glucopyranosyloxycoumarin

ChEBI IDCHEBI:53111
ChEBI Name3-acetyl-7-β-D-glucopyranosyloxycoumarin
Stars
ASCII Name3-acetyl-7-beta-D-glucopyranosyloxycoumarin
DefinitionA β-D-glucoside compound having 3-acetyl-7-hydroxycoumarin as the anomeric substituent.
Last Modified20 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC17H18O9
Net Charge0
Average Mass366.322
Monoisotopic Mass366.09508
SMILESCC(=O)c1cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2oc1=O
InChIInChI=1S/C17H18O9/c1-7(19)10-4-8-2-3-9(5-11(8)25-16(10)23)24-17-15(22)14(21)13(20)12(6-18)26-17/h2-5,12-15,17-18,20-22H,6H2,1H3/t12-,13-,14+,15-,17-/m1/s1
InChIKeyKYVGMGQCZKBVDT-OWVAZHOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-acetyl-7-β-D-glucopyranosyloxycoumarin (CHEBI:53111) has functional parent umbelliferone (CHEBI:27510)
3-acetyl-7-β-D-glucopyranosyloxycoumarin (CHEBI:53111) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
3-acetyl-2-oxo-2H-chromen-7-yl β-D-glucopyranoside
Registry NumbersSources
Reaxys:1268871Reaxys
Citations