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CHEBI:186975 - Kissoones A

ChEBI IDCHEBI:186975
ChEBI NameKissoones A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILES[H][C@@]12CC/C(C)=C\CCC(=O)/C=C\[C@]1([H])C2(C)C
InChIInChI=1S/C15H22O/c1-11-5-4-6-12(16)8-10-14-13(9-7-11)15(14,2)3/h5,8,10,13-14H,4,6-7,9H2,1-3H3/b10-8-,11-5-/t13-,14+/m1/s1
InChIKeyWCZCSOXIWRFHNZ-UPQREJAMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kissoones A (CHEBI:186975) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(1S,2Z,7Z,11R)-8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
Manual XrefsDatabases
24846687ChemSpider