Mol:LBF14000OX02

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

17 16  0  0  0  0  0  0  0  0999 V2000 
   3.5698   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2844    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9988   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2844    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8551    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1408   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4263    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7119   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0001    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7120   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4265    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1410   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8554    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5699   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2844    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9988   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1410   -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 
15 16  1  0 
12 17  2  0 

S SKP 6 ID LBF14000OX02 FORMULA C14H26O3 EXACTMASS 242.188194698 AVERAGEMASS 242.35444 SMILES CCCCC(=O)CCCCCCCCC(O)=O AUTODRAW FALSE M END