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CHEBI:189160 - Dibutylone

ChEBI IDCHEBI:189160
ChEBI NameDibutylone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO3
Net Charge0
Average Mass235.283
Monoisotopic Mass235.12084
SMILESCCC(C(=O)c1ccc2c(c1)OCO2)N(C)C
InChIInChI=1S/C13H17NO3/c1-4-10(14(2)3)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10H,4,8H2,1-3H3
InChIKeyUSEBIPUIVPERGC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Dibutylone (CHEBI:189160) is a butanone (CHEBI:22951)
IUPAC Name 
1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)butan-1-one
Manual XrefsDatabases
52084597ChemSpider
Registry NumbersSources
CAS:802286-83-5ChemIDplus