Marvin  04280615202D          

 11 11  0  0  0  0            999 V2000
   -1.3082    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938    1.9813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5938    2.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8352    0.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938    0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082   -0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207   -0.9063    0.0000 C   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  8  1  0  0  0  0
  8  6  1  0  0  0  0
  6  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  7  2  0  0  0  0
  8 10  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:35596

> <NAME>
(+)-pulegone

> <DEFINITION>
The (5R)-enantiomer of p-menth-4(8)-en-3-one.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8635; CHEBI:18460

> <SYNONYM>
Pulegone; d-Pulegone; (R)-pulegone; (5R)-2-isopropylidene-5-methylcyclohexanone; (1R)-(+)-p-Menth-4(8)-en-3-one; (+)-Pulegone; (+)-(R)-Pulegone

> <IUPAC_NAME>
1beta-p-menth-4(8)-en-3-one; (5R)-5-methyl-2-(propan-2-ylidene)cyclohexan-1-one

> <FORMULA>
C10H16O

> <MASS>
152.23344

> <MONOISOTOPIC_MASS>
152.12012

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1

> <INCHIKEY>
NZGWDASTMWDZIW-MRVPVSSYSA-N

> <CAS_REGISTRY_NUMBER>
89-82-7

> <REAXYS_REGISTRY_NUMBER>
3588094

> <CHEMIDPLUS>
89-82-7

> <KEGG_COMPOUND_ACCESSION>
C09893

> <KNAPSACK_ACCESSION>
C00000827

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102090025

$$$$