Mol:LBF10000OX07

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

13 12  0  0  0  0  0  0  0  0999 V2000 
   2.1407   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8553   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5698   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8553    0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4262   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7119   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0026   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4291   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1408   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8553   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5698   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8553    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  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  1  0 
11 12  1  0 
11 13  2  0 

S SKP 6 ID LBF10000OX07 FORMULA C10H18O3 EXACTMASS 186.125594442 AVERAGEMASS 186.24812 SMILES CC(=O)CCCCCCCC(O)=O AUTODRAW FALSE M END