Mol:LBG01c-g:R::g

 9  8  0  0  0  0  0  0  0  0999 V2000 
  -0.4115    1.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4135    1.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4135    0.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4115    0.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2365    0.5878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2365    1.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4135   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3009   -0.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3009   -1.5469    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  6 
 3  4  1  1 
 3  5  1  1 
 1  6  1  0 
 3  7  1  6 
 7  8  1  0 
 8  9  1  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 7 8 9 M SBL 1 1 6 M SMT 1 CH2OR1 M SBV 1 6 0.0000 0.9487 S SKP 5 ID LBG01c-g:R::ggggggggg:01 FORMULA C4H9O3R1 EXACTMASS 135.716269154 AVERAGEMASS 135.77356 SMILES COCC([H])(O)CO[R1] M END