Ketcher 07201516072D 1   1.00000     0.00000     0

 11 11  0     0  0            999 V2000
   -6.8929   -0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7590   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7590   -1.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8929   -2.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0269   -1.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0269   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3929    0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3929    0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1609   -0.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6249   -2.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1609   -2.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  6  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  7  1  0     0  0
  1  8  1  0     0  0
  6  9  2  0     0  0
  3 10  2  0     0  0
  5 11  1  6     0  0
M  END
> <ID>
CHEBI:86400

> <NAME>
levodione

> <DEFINITION>
A member of the class of cyclohexanones that is cyclohexane-1,4-dionecarrying a gem-dimethyl group at position 2 and an additional methyl substituent at position 6 (the R-enantiomer).

> <STAR>
3

> <SYNONYM>
(R)-2,2,6-trimethyl-1,4-cyclohexanedione; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione; (-)-(6R)-2,2,6-trimethyl-1,4-cyclohexandione

> <IUPAC_NAME>
(6R)-2,2,6-trimethyl-1,4-cyclohexanedione

> <FORMULA>
C9H14O2

> <MASS>
154.20630

> <MONOISOTOPIC_MASS>
154.09938

> <CHARGE>
0

> <SMILES>
C[C@@H]1CC(=O)CC(C)(C)C1=O

> <INCHI>
InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1

> <INCHIKEY>
HVHHZSFNAYSPSA-ZCFIWIBFSA-N

> <REAXYS_REGISTRY_NUMBER>
2613337

> <PUBMED_CITATION>
12621044

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