Mol:LBF101nnXX01

Copyright: ARM project http://www.metabolome.jp/

12 12  0  0  0  0  0  0  0  0999 V2000 
   2.7707   -0.0766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0588    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3468   -0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6348    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0772   -0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7892    0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5012   -0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2858    0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7707   -0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2858   -1.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5012   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0588    1.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
11  7  1  0 
 2 12  2  0 

S SKP 6 ID LBF102nnXX01 FORMULA C10H16O2 EXACTMASS 168.11502975599998 AVERAGEMASS 168.23283999999998 SMILES OC(=O)CCCCC(C1)C=CC1 AUTODRAW FALSE M END