Mol:LBF08000BC01

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

11 10  0  0  0  0  0  0  0  0999 V2000 
   1.4265   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1410    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8555   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1410    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7118    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0026   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1435    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8555   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -1.0298    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  1  0 

S SKP 6 ID LBF08000BC01 FORMULA C9H18O2 EXACTMASS 158.13067981999998 AVERAGEMASS 158.23802 SMILES CCC(C)CCCCC(O)=O AUTODRAW FALSE M END