EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189244 - Butylone

ChEBI IDCHEBI:189244
ChEBI NameButylone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO3
Net Charge0
Average Mass221.256
Monoisotopic Mass221.10519
SMILESCCC(NC)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO3/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10/h4-6,9,13H,3,7H2,1-2H3
InChIKeyCGKQZIULZRXRRJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Butylone (CHEBI:189244) is a butanone (CHEBI:22951)
IUPAC Name 
1-(1,3-benzodioxol-5-yl)-2-(methylamino)butan-1-one
Manual XrefsDatabases
21106270ChemSpider
D00500KEGG DRUG
C07423KEGG COMPOUND
Registry NumbersSources
CAS:17762-90-2ChemIDplus