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CHEBI:169246 - 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione

ChEBI IDCHEBI:169246
ChEBI Name2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESCCCC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C14H20O4/c1-6-7-8(15)9-10(16)13(2,3)12(18)14(4,5)11(9)17/h9H,6-7H2,1-5H3
InChIKeyOGXHJIPDGPTYKY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione (CHEBI:169246) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
6-butanoyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
Manual XrefsDatabases
HMDB0033197HMDB
30776984ChemSpider