Mol:LBF08000BC02

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

11 10  0  0  0  0  0  0  0  0999 V2000 
   1.4265   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1411   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8556   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1411    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7118   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0026   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436    0.6145    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 
 9 11  1  0 

S SKP 6 ID LBF08000BC02 FORMULA C9H18O2 EXACTMASS 158.13067981999998 AVERAGEMASS 158.23802 SMILES CC(C)CCCCCC(O)=O AUTODRAW FALSE M END