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CHEBI:212570 - 2,2,6-Trimethylcyclohexanone

ChEBI IDCHEBI:212570
ChEBI Name2,2,6-Trimethylcyclohexanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O
Net Charge0
Average Mass140.226
Monoisotopic Mass140.12012
SMILESC[C@H]1CCCC(C)(C)C1=O
InChIInChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyZPVOLGVTNLDBFI-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Calothrix (ncbitaxon:1186) - DOI (10.2166/wst.2004.0531)
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8958)
ChEBI Ontology
Outgoing Relation(s)
2,2,6-Trimethylcyclohexanone (CHEBI:212570) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
2,2,6-trimethylcyclohexan-1-one
Manual XrefsDatabases
16105ChemSpider
HMDB0033794HMDB