Mol:LBF09000HO03

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   1.7826   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4974    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2119   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4974    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0681    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3535   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3610    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7877    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4998   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2119    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3535   -1.0313    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 
 6 12  1  0 

S SKP 6 ID LBF09000HO03 FORMULA C9H18O3 EXACTMASS 174.125594442 AVERAGEMASS 174.23742 SMILES CCCCCC(O)CCC(O)=O AUTODRAW FALSE M END