EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195700 - 7-Methyl-3-octen-2-one

ChEBI IDCHEBI:195700
ChEBI Name7-Methyl-3-octen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O
Net Charge0
Average Mass140.226
Monoisotopic Mass140.12012
SMILESCC(=O)/C=C/CCC(C)C
InChIInChI=1S/C9H16O/c1-8(2)6-4-5-7-9(3)10/h5,7-8H,4,6H2,1-3H3/b7-5+
InChIKeyQFSMRIFNMXHJQK-FNORWQNLSA-N
ChEBI Ontology
Outgoing Relation(s)
7-Methyl-3-octen-2-one (CHEBI:195700) is a enone (CHEBI:51689)
IUPAC Name 
(E)-7-methyloct-3-en-2-one
Manual XrefsDatabases
4515601ChemSpider
HMDB0039461HMDB