Mol:LBF08102BC01

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   1.4842   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1989    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9133   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1989    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7696    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0551   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6594    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3738   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1988   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9133    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7696    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1988   -1.0313    0.0000 C   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  2  0 
 9 10  1  0 
 5 11  1  0 
 9 12  1  0 

S SKP 6 ID LBF08102BC01 FORMULA C10H18O2 EXACTMASS 170.13067981999998 AVERAGEMASS 170.24872 SMILES CC(C)=CCCC(C)CC(O)=O AUTODRAW FALSE M END