CHEBI:180432 - xi-2,2,6-Trimethyl-1,4-cyclohexanedione

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 xi-2,2,6-Trimethyl-1,4-cyclohexanedione
ChEBI ID CHEBI:180432
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H14O2
Net Charge 0
Average Mass 154.209
Monoisotopic Mass 154.09938
InChI InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3
InChIKey HVHHZSFNAYSPSA-UHFFFAOYSA-N
SMILES O=C1C(CC(=O)CC1C)(C)C
ChEBI Ontology
Outgoing xi-2,2,6-Trimethyl-1,4-cyclohexanedione (CHEBI:180432) is a cyclic ketone (CHEBI:3992)
IUPAC Name
2,2,6-trimethylcyclohexane-1,4-dione
Manual Xrefs Databases
28029 ChemSpider
HMDB0038697 HMDB
View more database links
Registry Number Type Source
20547-99-3 CAS Registry Number ChemIDplus