Mol:Isodaucane

 
 
Copyright: ARM project http://www.metabolomics.jp/ 
 15 16  0  0  0  0  0  0  0  0999 V2000 
    0.6171   -0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4421   -0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9565   -0.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7729    0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0296    1.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2863    0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1027   -0.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4219    1.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0432    0.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7190   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2863    1.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1315   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7190   -1.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9565   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8546   -1.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0 
  2  3  1  0 
  3  4  1  0 
  4  5  1  0 
  5  6  1  0 
  6  7  1  0 
  7  1  1  0 
  6  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10  7  1  0 
  6 11  1  0 
 10 12  1  0 
 12 13  1  0 
 12 14  1  0 
  2 15  1  0 
S  SKP  6 
AUTODRAW	FALSE 
ID	Isodaucane 
FORMULA	C15H28 
EXACTMASS	208.219100896 
AVERAGEMASS	208.38282 
SMILES	CC(C2)CC(C(C(C)C)1)C(C)(CC2)CC1 
M  END