Mol:LBF11000OX01

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

14 13  0  0  0  0  0  0  0  0999 V2000 
   2.4981   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2126   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9271   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2126    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7834   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0691   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3546   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3598   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0718   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7837   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7834    0.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4982   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2127   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9271   -0.2061    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  1  0 
 9 10  1  0 
 5 11  2  0 
10 12  1  0 
12 13  1  0 
13 14  1  0 

S SKP 6 ID LBF11000OX01 FORMULA C11H20O3 EXACTMASS 200.141244506 AVERAGEMASS 200.2747 SMILES CCCCCCCCC(=O)CC(O)=O AUTODRAW FALSE M END