Mol:LBG01ugu:R:g:R

 5  4  0  0  0  0  0  0  0  0999 V2000 
  -1.0191    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6309    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2184    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6066    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0191   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 2 3 4 5 M SBL 1 1 1 M SMT 1 OCH2CH2OH M SBV 1 1 -0.3882 0.0000 S SKP 5 ID LBG01ugu:R:ggggggggg:R:01 FORMULA C3H8O2 EXACTMASS 76.05242949999999 AVERAGEMASS 76.09442 SMILES COCCO M END