Mol:LBF08000HO02

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

11 10  0  0  0  0  0  0  0  0999 V2000 
   1.4266   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1414   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8559   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1414    0.6188    0.0000 O   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 
  -0.0027   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4317   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1438   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8559   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7119    0.6188    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 
 5 11  1  0 

S SKP 6 ID LBF08000HO02 FORMULA C8H16O3 EXACTMASS 160.109944378 AVERAGEMASS 160.21084 SMILES CCCCCC(O)CC(O)=O AUTODRAW FALSE M END