Mol:LBF09000OX04

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   1.7837   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4983    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2128   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4983    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0690    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3546   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3598    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0743   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7863    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4983   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0743   -1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2128    0.2048    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 
 8 11  2  0 
10 12  1  0 

S SKP 6 ID LBF09000OX04 FORMULA C9H16O3 EXACTMASS 172.109944378 AVERAGEMASS 172.22154 SMILES CCCC(=O)CCCCC(O)=O AUTODRAW FALSE M END