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CHEBI:174104 - Liqcoumarin

ChEBI IDCHEBI:174104
ChEBI NameLiqcoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H10O4
Net Charge0
Average Mass218.208
Monoisotopic Mass218.05791
SMILESCC(=O)c1ccc2oc(=O)cc(C)c2c1O
InChIInChI=1S/C12H10O4/c1-6-5-10(14)16-9-4-3-8(7(2)13)12(15)11(6)9/h3-5,15H,1-2H3
InChIKeyUMNMVZFOKSPTJN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Liqcoumarin (CHEBI:174104) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
6-acetyl-5-hydroxy-4-methylchromen-2-one
Manual XrefsDatabases
HMDB0029518HMDB
9553881ChemSpider
Registry NumbersSources
CAS:36695-19-9ChemIDplus