Mol:LBG00-kk::YS1CA0002:18000SC01

 7  6  0  0  0  0  0  0  0  0999 V2000 
   0.1966   -0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2063    0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2063    0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0216   -0.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0313    0.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0313    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6187    0.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 3  5  1  0 
 2  7  1  0 
 6  7  1  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 6 7 M SBL 1 1 5 M SMT 1 CH3^O M SBV 1 5 0.8250 0.0000 S SKP 5 ID LBG00-kk::YS1CA0002:18000SC01:01 FORMULA C4H10O3 EXACTMASS 106.062994186 AVERAGEMASS 106.12039999999999 SMILES COC(CO)CO M END