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CHEBI:179614 - 3-Methyloctan-2-one

Default Structure
ChEBI IDCHEBI:179614
ChEBI Name3-Methyloctan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O
Net Charge0
Average Mass142.242
Monoisotopic Mass142.13577
SMILESCCCCCC(C)C(C)=O
InChIInChI=1S/C9H18O/c1-4-5-6-7-8(2)9(3)10/h8H,4-7H2,1-3H3
InChIKeyXSWHAOGCTCBDIT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methyloctan-2-one (CHEBI:179614) is a ketone (CHEBI:17087)
IUPAC Name 
3-methyloctan-2-one
Manual XrefsDatabases
21114ChemSpider
LMFA12000126LIPID MAPS
Registry NumbersSources
CAS:6137-08-2ChemIDplus