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CHEBI:205673 - Nectriatone C

ChEBI IDCHEBI:205673
ChEBI NameNectriatone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O2
Net Charge0
Average Mass208.301
Monoisotopic Mass208.14633
SMILESCC(=O)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C
InChIInChI=1S/C13H20O2/c1-9-5-6-12(15)11(3)13(9,4)8-7-10(2)14/h7-9,11H,5-6H2,1-4H3/b8-7+/t9-,11+,13+/m1/s1
InChIKeyAZBQNLGUMHRVHL-CAZBBBLRSA-N
Species of MetaboliteComponentSourceComments
Nectriaspecies B-13 (ncbitaxon:2020480) - PubMed (29911892)
ChEBI Ontology
Outgoing Relation(s)
Nectriatone C (CHEBI:205673) is a enone (CHEBI:51689)
IUPAC Name 
(2R,3R,4R)-2,3,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohexan-1-one