21160126
  CDK     0512222200

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2364    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  7 12  1  0  0  0  0 
  9 11  2  0  0  0  0 
 10 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:191546

> <NAME>
Pregeijerene

> <STAR>
2

> <IUPAC_NAME>
(1Z,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-triene

> <FORMULA>
C12H18

> <MASS>
162.276

> <MONOISOTOPIC_MASS>
162.14085

> <CHARGE>
0

> <SMILES>
C1CC(=CC=CCCC(=C1)C)C

> <INCHI>
InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3-,11-7-,12-10-

> <INCHIKEY>
ACTKFDMFHYIKRY-MBDGBGPPSA-N

$$$$