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CHEBI:228942 - 1,5-Di-isobutyl-3,3-dimethyl[3,1,0]cyclohexadione

Default Structure
ChEBI IDCHEBI:228942
ChEBI Name1,5-Di-isobutyl-3,3-dimethyl[3,1,0]cyclohexadione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O2
Net Charge0
Average Mass250.382
Monoisotopic Mass250.19328
SMILESCC(C)CC12CC1(CC(C)C)C(=O)C(C)(C)C2=O
InChIInChI=1S/C16H26O2/c1-10(2)7-15-9-16(15,8-11(3)4)13(18)14(5,6)12(15)17/h10-11H,7-9H2,1-6H3
InChIKeyKJAYCZWTDKBKOL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
1,5-Di-isobutyl-3,3-dimethyl[3,1,0]cyclohexadione (CHEBI:228942) is a ketone (CHEBI:17087)
IUPAC Name 
3,3-dimethyl-1,5-bis(2-methylpropyl)bicyclo[3.1.0]hexane-2,4-dione
Manual XrefsDatabases
4475820ChemSpider