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

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ChEBI Name 3-acetyl-7-β-D-glucopyranosyloxycoumarin
ChEBI ID CHEBI:53111
ChEBI ASCII Name 3-acetyl-7-beta-D-glucopyranosyloxycoumarin
Definition A β-D-glucoside compound having 3-acetyl-7-hydroxycoumarin as the anomeric substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H18O9
Net Charge 0
Average Mass 366.31940
Monoisotopic Mass 366.09508
InChI InChI=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
InChIKey KYVGMGQCZKBVDT-OWVAZHOYSA-N
SMILES CC(=O)c1cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2oc1=O
ChEBI Ontology
Outgoing 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 Numbers Types Sources
1268871 Reaxys Registry Number Reaxys
1268871 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
10771133 PubMed citation Europe PMC
9540973 PubMed citation Europe PMC
Last Modified
20 May 2013