Mol:LBGTG

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

16 15  0  0  0  0  0  0  0  0999 V2000 
   1.4820    1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5780    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5035   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0701    1.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0701    0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0701   -0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8070    0.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6291    0.4182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7033    1.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7134   -0.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2643    0.4131    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
   2.2511    1.2636    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   1.4797    0.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5809   -0.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2643   -0.3824    0.0000 R3  0  0  0  0  0  0  0  0  0  0  0  0 
   1.5061   -1.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 4  5  1  0 
 5  6  1  0 
 5  7  1  0 
 7  2  1  0 
 5  8  1  0 
 4  9  1  0 
 1  9  1  0 
 6 10  1  0 
 3 10  1  0 
 2 11  1  0 
 1 12  1  0 
 1 13  2  0 
 2 14  2  0 
 3 15  1  0 
 3 16  2  0 

S SKP 5 ID LBGTG FORMULA EXACTMASS AVERAGEMASS SMILES M END