Mol:Transtrans-FPP

Revision as of 10:59, 22 July 2014

 
 
 
 17 16  0  0  0  0  0  0  0  0999 V2000 
   30.6600   -8.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.4476   -7.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.2351   -8.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.2351   -9.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.0227   -7.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.8227   -8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6103   -7.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.3979   -8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.3979  -10.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.1854   -7.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.9730   -8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.7606   -7.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.5481   -8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.3357   -7.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.5481  -10.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.4476   -6.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   31.8724   -7.8400    0.0000 OP  0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0     0  0 
  2  3  2  0     0  0 
  3  4  1  0     0  0 
  3  5  1  0     0  0 
  5  6  1  0     0  0 
  6  7  1  0     0  0 
  7  8  2  0     0  0 
  8  9  1  0     0  0 
  8 10  1  0     0  0 
 10 11  1  0     0  0 
 11 12  1  0     0  0 
 12 13  2  0     0  0 
 13 14  1  0     0  0 
 13 15  1  0     0  0 
  2 16  1  0     0  0 
  1 17  1  0     0  0 
A  017 OPP 
S  SKP  6 
AUTODRAW	FALSE 
ID	Transtrans-FPP 
FORMULA	C15H26O 
EXACTMASS	222.198365454 
AVERAGEMASS	222.36634 
SMILES	OCC([H])=C(C)CCC=C(C)CCC=C(C)C 
M  END