Marvin  07080815172D          

 11 11  0  0  1  0            999 V2000
   14.8056   -4.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8056   -5.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2345   -5.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5200   -4.4950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5200   -3.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5200   -6.1450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2345   -4.9075    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9490   -4.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2345   -7.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5200   -6.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8056   -7.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  7  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  7  1  0  0  0  0
  4  5  1  1  0  0  0
  6 10  1  1  0  0  0
  7  8  1  1  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:153

> <NAME>
(-)-neoisodihydrocarveol

> <DEFINITION>
A dihydrocarveol with a (1R,2S,4S)-configuration.

> <STAR>
3

> <SYNONYM>
(1S,2R,5S)-5-isopropenyl-2-methylcyclohexanol; (1R,2S,4S)-neoisodihydrocarveol; (1R,2S,4S)- Neoiso-dihydrocarveol

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

> <FORMULA>
C10H18O

> <MASS>
154.24932

> <MONOISOTOPIC_MASS>
154.13577

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1

> <INCHIKEY>
KRCZYMFUWVJCLI-UTLUCORTSA-N

> <REAXYS_REGISTRY_NUMBER>
3195555

> <KEGG_COMPOUND_ACCESSION>
C11410

> <METACYC_ACCESSION>
CPD-10033

$$$$