Mol:LBF08106BC01

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   1.4804   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1951    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9095   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1951    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6554   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0591    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7735   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4855    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1975   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9095    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1975   -1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6554   -1.0312    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  2  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
 9 11  1  0 
 5 12  1  0 

S SKP 6 ID LBF08106BC01 FORMULA C10H18O2 EXACTMASS 170.13067981999998 AVERAGEMASS 170.24872 SMILES CC(C)CCCC(C)=CC(O)=O AUTODRAW FALSE M END