Mol:LBF10101SC01

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   2.1950   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9096   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6241   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9096    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4803   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7658   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0514   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6631   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3751   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0871   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7991   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6241   -0.2077    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 
10 11  1  0 
11 12  2  0 

S SKP 6 ID LBF10101SC01 FORMULA C10H18O2 EXACTMASS 170.13067981999998 AVERAGEMASS 170.24872 SMILES C=CCCCCCCCC(O)=O AUTODRAW FALSE M END