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CHEBI:87581 - 7-octen-2-one

ChEBI IDCHEBI:87581
ChEBI Name7-octen-2-one
Stars
DefinitionAn methyl ketone that is octan-2-one carrying a double bond at position 7.
Last Modified20 August 2015
Submitternamrata
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESC=CCCCCC(C)=O
InChIInChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h3H,1,4-7H2,2H3
InChIKeyRXHCEQYNSQNEOK-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
7-octen-2-one (CHEBI:87581) has role metabolite (CHEBI:25212)
7-octen-2-one (CHEBI:87581) is a methyl ketone (CHEBI:51867)
7-octen-2-one (CHEBI:87581) is a olefinic compound (CHEBI:78840)
IUPAC Name 
oct-7-en-2-one
Registry NumbersSources
Reaxys:1743861Reaxys
CAS:3664-60-6ChemIDplus
CAS:3664-60-6NIST Chemistry WebBook