Mol:LBF10000SC01

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   2.1385   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8531   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5676   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8531    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4238   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7093   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0051   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196   -0.6187    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 
  -2.1436   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676   -0.6187    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  1  0 

S SKP 6 ID LBF10000SC01 FORMULA C10H20O2 EXACTMASS 172.14632988399998 AVERAGEMASS 172.2646 SMILES CCCCCCCCCC(O)=O AUTODRAW FALSE M END