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CHEBI:169560 - 4-Methyl-1-phenyl-2-pentanone

ChEBI IDCHEBI:169560
ChEBI Name4-Methyl-1-phenyl-2-pentanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O
Net Charge0
Average Mass176.259
Monoisotopic Mass176.12012
SMILESCC(C)CC(=O)Cc1ccccc1
InChIInChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyDTYGTEGDVPAKDA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
4-Methyl-1-phenyl-2-pentanone (CHEBI:169560) is a benzenes (CHEBI:22712)
IUPAC Name 
4-methyl-1-phenylpentan-2-one
Manual XrefsDatabases
190439ChemSpider
HMDB0031569HMDB
Registry NumbersSources
CAS:5349-62-2ChemIDplus