Mol:LBF09000HO02

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   1.7827   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4975   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2119   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4975    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0680   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3534   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3611   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0757   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7878   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4999   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2119   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0680    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 
10 11  1  0 
 5 12  1  1 

S SKP 6 ID LBF09000HO02 FORMULA C9H18O3 EXACTMASS 174.125594442 AVERAGEMASS 174.23742 SMILES CCCCCCC(O)CC(O)=O AUTODRAW FALSE M END