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CHEBI:173930 - 4-(3,4-Methylenedioxyphenyl)-2-butanone

ChEBI IDCHEBI:173930
ChEBI Name4-(3,4-Methylenedioxyphenyl)-2-butanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O3
Net Charge0
Average Mass192.214
Monoisotopic Mass192.07864
SMILESCC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
InChIKeyTZJLGGWGVLADDN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(3,4-Methylenedioxyphenyl)-2-butanone (CHEBI:173930) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
4-(1,3-benzodioxol-5-yl)butan-2-one
Manual XrefsDatabases
55934ChemSpider
HMDB0041481HMDB
Registry NumbersSources
CAS:55418-52-5ChemIDplus