CHEBI:189986 - 3-Methyl-1-phenyl-1-butanone

ChEBI IDCHEBI:189986
ChEBI Name3-Methyl-1-phenyl-1-butanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O
Net Charge0
Average Mass162.232
Monoisotopic Mass162.10447
SMILESCC(C)CC(=O)c1ccccc1
InChIInChI=1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyHEOVGVNITGAUKL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
3-Methyl-1-phenyl-1-butanone (CHEBI:189986) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-methyl-1-phenylbutan-1-one
Manual XrefsDatabases
61768ChemSpider
D91120KEGG DRUG
Registry NumbersSources
CAS:582-62-7ChemIDplus