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CHEBI:177003 - methylheptenone

ChEBI IDCHEBI:177003
ChEBI Namemethylheptenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESCCCC=CC(=O)CC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3
InChIKeyJPTOCTSNXXKSSN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
methylheptenone (CHEBI:177003) is a enone (CHEBI:51689)
IUPAC Name 
oct-4-en-3-one
Manual XrefsDatabases
75974ChemSpider
C07287KEGG COMPOUND
Registry NumbersSources
CAS:14129-48-7ChemIDplus