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CHEBI:203180 - 7-(3-butanonyl)-6,6-dimethyl-2-cyclohex-4-none-2-carboxylic acid

ChEBI IDCHEBI:203180
ChEBI Name7-(3-butanonyl)-6,6-dimethyl-2-cyclohex-4-none-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O4
Net Charge0
Average Mass238.283
Monoisotopic Mass238.12051
SMILESCC(=O)CC[C@H]1C(C(=O)O)=CC(=O)CC1(C)C
InChIInChI=1S/C13H18O4/c1-8(14)4-5-11-10(12(16)17)6-9(15)7-13(11,2)3/h6,11H,4-5,7H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyYHNGXQALPYIXQZ-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (20299229)
ChEBI Ontology
Outgoing Relation(s)
7-(3-butanonyl)-6,6-dimethyl-2-cyclohex-4-none-2-carboxylic acid (CHEBI:203180) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(6R)-5,5-dimethyl-3-oxo-6-(3-oxobutyl)cyclohexene-1-carboxylic acid
Manual XrefsDatabases
78439652ChemSpider