Mol:LBF11000OX05

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

14 13  0  0  0  0  0  0  0  0999 V2000 
   2.4979   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2124    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9269   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2124    1.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7834    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0691   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3546    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3598   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0718    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7835   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4980    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2125   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9269    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2125   -1.0311    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 
12 13  1  0 
12 14  2  0 

S SKP 6 ID LBF11000OX05 FORMULA C11H20O3 EXACTMASS 200.141244506 AVERAGEMASS 200.2747 SMILES CC(=O)CCCCCCCCC(O)=O AUTODRAW FALSE M END