Marvin  03011119202D          

 11 11  0  0  1  0            999 V2000
   11.6601  -18.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9605  -18.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2484  -18.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2484  -19.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9605  -20.0425    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6601  -19.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3847  -18.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9605  -20.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2359  -21.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6601  -21.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9605  -17.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  3  2  2  0  0  0  0
 11  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  6  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <ID>
CHEBI:61551

> <NAME>
(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one

> <DEFINITION>
A dihydrocarvone compound having the exocyclic isopropenyl double bond reduced and (R)-configuration.

> <STAR>
3

> <SYNONYM>
(R)-5-isopropyl-2-methyl-2-cyclohexen-1-one; (R)-(-)-carvotanacetone; (-)-(5R)-1-isopropyl-2-methyl-2-cyclohexen-1-one

> <IUPAC_NAME>
(5R)-2-methyl-5-(1-methylethyl)cyclohex-2-en-1-one

> <FORMULA>
C10H16O

> <MASS>
152.23340

> <MONOISOTOPIC_MASS>
152.12012

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1

> <INCHIKEY>
WPGPCDVQHXOMQP-SECBINFHSA-N

> <REAXYS_REGISTRY_NUMBER>
2205068

> <PUBMED_CITATION>
11380545

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