Marvin  07100811002D          

 11 11  0  0  0  0            999 V2000
   -0.9645    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    1.5750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2500    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.0750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4645   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645   -1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1789    1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  6  3  1  0  0  0  0
  3 10  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:155

> <NAME>
(-)-isodihydrocarvone

> <DEFINITION>
The (1R,4S)-stereoisomer of dihydrocarvone.

> <STAR>
3

> <SYNONYM>
(2R,5S)-5-isopropenyl-2-methylcyclohexanone; (2R,5S)-2-methyl-5-isopropenylcyclohexanone; (1R,4S)-isodihydrocarvone; (1R,4S)-Iso-dihydrocarvone

> <IUPAC_NAME>
(2R,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohexanone; (1R,4S)-p-menth-8-en-2-one

> <FORMULA>
C10H16O

> <MASS>
152.23344

> <MONOISOTOPIC_MASS>
152.12012

> <CHARGE>
0

> <SMILES>
C[C@@H]1CC[C@@H](CC1=O)C(C)=C

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

> <INCHIKEY>
AZOCECCLWFDTAP-BDAKNGLRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2326990

> <REAXYS_REGISTRY_NUMBER>
2326990

> <KEGG_COMPOUND_ACCESSION>
C11412

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102090037

$$$$