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CHEBI:172018 - 2-Octen-4-one

ChEBI IDCHEBI:172018
ChEBI Name2-Octen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESC/C=C/C(=O)CCCC
InChIInChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
InChIKeyFMDLEUPBHMCPQV-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
2-Octen-4-one (CHEBI:172018) is a enone (CHEBI:51689)
IUPAC Name 
(E)-oct-2-en-4-one
Manual XrefsDatabases
4517833ChemSpider
Registry NumbersSources
CAS:4643-27-0ChemIDplus