EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179616 - 6-Methyloctan-3-one

Default Structure
ChEBI IDCHEBI:179616
ChEBI Name6-Methyloctan-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O
Net Charge0
Average Mass142.242
Monoisotopic Mass142.13577
SMILESCCC(=O)CCC(C)CC
InChIInChI=1S/C9H18O/c1-4-8(3)6-7-9(10)5-2/h8H,4-7H2,1-3H3
InChIKeyJKCBSCZEUOCWHW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-Methyloctan-3-one (CHEBI:179616) is a ketone (CHEBI:17087)
IUPAC Name 
6-methyloctan-3-one
Manual XrefsDatabases
39600575ChemSpider
LMFA12000129LIPID MAPS