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CHEBI:204661 - 4a,8-Dimethyl-4,4a,5,6,7,8-hexahydro-3H-

ChEBI IDCHEBI:204661
ChEBI Name4a,8-Dimethyl-4,4a,5,6,7,8-hexahydro-3H-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O
Net Charge0
Average Mass178.275
Monoisotopic Mass178.13577
SMILESC[C@H]1CCCC2(C)CCC(=O)C=C12
InChIInChI=1S/C12H18O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-9H,3-7H2,1-2H3/t9-,12?/m0/s1
InChIKeyKLTKQWRPJDRMTL-QHGLUPRGSA-N
Species of MetaboliteComponentSourceComments
Chondromyces crocatus (ncbitaxon:52) - DOI (10.1016/j.tet.2004.03.005)
ChEBI Ontology
Outgoing Relation(s)
4a,8-Dimethyl-4,4a,5,6,7,8-hexahydro-3H- (CHEBI:204661) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Manual XrefsDatabases
61489849ChemSpider