EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169242 - 3-Hepten-2-one

ChEBI IDCHEBI:169242
ChEBI Name3-Hepten-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O
Net Charge0
Average Mass112.172
Monoisotopic Mass112.08882
SMILESCCC/C=C/C(C)=O
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyJHHZQADGLDKIPM-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3-Hepten-2-one (CHEBI:169242) is a enone (CHEBI:51689)
IUPAC Name 
(E)-hept-3-en-2-one
Manual XrefsDatabases
HMDB0031486HMDB
4516727ChemSpider
LMFA12000103LIPID MAPS
Registry NumbersSources
CAS:1119-44-4ChemIDplus