Mol:LBF09000HO05

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   2.1399   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8545   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5691   -0.6181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8545    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4251   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7106   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0039   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7184   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4305   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1425   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8546   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5691   -0.6195    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 
11 12  1  0 

S SKP 6 ID LBF09000HO05 FORMULA C9H18O3 EXACTMASS 174.125594442 AVERAGEMASS 174.23742 SMILES OCCCCCCCCC(O)=O AUTODRAW FALSE M END