Mol:LBF13000OX03

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

16 15  0  0  0  0  0  0  0  0999 V2000 
   3.2125   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9271    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6416   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9271    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4979    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7836   -0.2062    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   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3574    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0692   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7837    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4982   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2127    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9271   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6416    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9271   -1.0312    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 
13 14  1  0 
14 15  1  0 
14 16  2  0 

S SKP 6 ID LBF13000OX03 FORMULA C13H24O3 EXACTMASS 228.172544634 AVERAGEMASS 228.32786 SMILES CC(=O)CCCCCCCCCCC(O)=O AUTODRAW FALSE M END