CHEBI:212570 - 2,2,6-Trimethylcyclohexanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2,2,6-Trimethylcyclohexanone
ChEBI ID CHEBI:212570
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H16O
Net Charge 0
Average Mass 140.226
Monoisotopic Mass 140.12012
InChI InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey ZPVOLGVTNLDBFI-ZETCQYMHSA-N
SMILES O=C1C(CCC[C@@H]1C)(C)C
Metabolite of Species Details
Calothrix (NCBI:txid1186) See: DOI
Oryctolagus cuniculus (NCBI:txid9986) Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study
ChEBI Ontology
Outgoing 2,2,6-Trimethylcyclohexanone (CHEBI:212570) is a cyclic ketone (CHEBI:3992)
IUPAC Name
2,2,6-trimethylcyclohexan-1-one
Manual Xrefs Databases
16105 ChemSpider
HMDB0033794 HMDB
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