Marvin  11160612492D          

 11 11  0  0  0  0            999 V2000
   -0.3707    0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3707   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0582    0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437    1.1063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3437    1.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437   -0.5438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0582   -1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437   -1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3707   -1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0582   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727   -0.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  6 10  1  0  0  0  0
 10  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  8  1  1  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <ID>
CHEBI:37047

> <NAME>
(+)-cis-isopulegone

> <STAR>
3

> <SECONDARY_ID>
CHEBI:18444; CHEBI:29455

> <SYNONYM>
(2R,5R)-isopulegone; (+)-cis-Isopulegone

> <IUPAC_NAME>
(2R,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one

> <FORMULA>
C10H16O

> <MASS>
152.23344

> <MONOISOTOPIC_MASS>
152.12012

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1

> <INCHIKEY>
RMIANEGNSBUGDJ-RKDXNWHRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2500102

> <KEGG_COMPOUND_ACCESSION>
C11951

> <KNAPSACK_ACCESSION>
C00000820

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102090043

$$$$