Mol:LBF10000OX02

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

13 12  0  0  0  0  0  0  0  0999 V2000 
   2.1409   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8555   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5700   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8555    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4262   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7119   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0026   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4291   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1410   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4262    0.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8555   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5700   -0.6186    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 

S SKP 6 ID LBF10000OX02 FORMULA C10H18O3 EXACTMASS 186.125594442 AVERAGEMASS 186.24812 SMILES CCCCCCCC(=O)CC(O)=O AUTODRAW FALSE M END