EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180437 - 3,5,5-Trimethyl-1,2-cyclohexanedione

ChEBI IDCHEBI:180437
ChEBI Name3,5,5-Trimethyl-1,2-cyclohexanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O2
Net Charge0
Average Mass154.209
Monoisotopic Mass154.09938
SMILESCC1CC(C)(C)CC(=O)C1=O
InChIInChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3
InChIKeyWEUZZYGESXCTCU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5,5-Trimethyl-1,2-cyclohexanedione (CHEBI:180437) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
3,5,5-trimethylcyclohexane-1,2-dione
Manual XrefsDatabases
84639ChemSpider
Registry NumbersSources
CAS:57696-89-6ChemIDplus