Mol:LBG02-gk::g:R

14 13  0  0  0  0  0  0  0  0999 V2000 
  -2.3391   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1310   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.5278    1.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6348    1.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6348   -0.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6348   -1.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.5860   -0.0242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7322   -0.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1641   -0.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9891   -0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9891    0.7813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.2994   -0.0922    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
   5.2994   -1.4122    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   4.4598   -1.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 3  4  1  0 
 4  5  1  6 
 5  6  1  6 
 5  8  1  1 
 5  7  1  1 
 1  9  1  0 
10 11  2  0 
 6 14  1  0 
13 14  1  0 
 2  8  1  0 
 1  2  1  0 
 9 10  1  0 
10 12  1  0 

A 1 6Glcb1 A 2 6Glcb1 S SKP 5 ID LBG02-gk::ggggggggg:R:01 FORMULA C6H10O5R1R2 EXACTMASS 254.03612342999998 AVERAGEMASS 254.1239 SMILES OCC([H])(OCCOC(=O)[R2])CO[R1] M END