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CHEBI:193728 - 3,5,5-Trimethyl-3-cyclohexen-1-one

ChEBI IDCHEBI:193728
ChEBI Name3,5,5-Trimethyl-3-cyclohexen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O
Net Charge0
Average Mass138.210
Monoisotopic Mass138.10447
SMILESCC1=CC(C)(C)CC(=O)C1
InChIInChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3
InChIKeyLKOKKQDYMZUSCG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
3,5,5-Trimethyl-3-cyclohexen-1-one (CHEBI:193728) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
3,5,5-trimethylcyclohex-3-en-1-one
Manual XrefsDatabases
HMDB0040338HMDB
9704ChemSpider
Registry NumbersSources
CAS:471-01-2ChemIDplus