CHEBI:168849 - 4-Acetyl-1-methylcyclohexene

ChEBI IDCHEBI:168849
ChEBI Name4-Acetyl-1-methylcyclohexene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O
Net Charge0
Average Mass138.210
Monoisotopic Mass138.10447
SMILESCC(=O)C1CC=C(C)CC1
InChIInChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3
InChIKeyHOBBEYSRFFJETF-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-Acetyl-1-methylcyclohexene (CHEBI:168849) is a ketone (CHEBI:17087)
IUPAC Name 
1-(4-methylcyclohex-3-en-1-yl)ethanone
Manual XrefsDatabases
83972ChemSpider
HMDB0033434HMDB
Registry NumbersSources
CAS:6090-09-1ChemIDplus