Mol:LBG02-cg::R:g

12  9  0  0  0  0  0  0  0  0999 V2000 
  -1.4192    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5942    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5942    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4192    0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5942   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3086   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2288    0.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5958   -0.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4192   -0.6358    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
   0.6433    0.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6433    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6550    0.9776    0.0000 O   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  6 
 5  6  1  0 
 3  7  1  1 
 7  8  1  0 
 8  9  1  0 
10 11  2  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 5 6 M SBL 1 1 4 M SMT 1 CHOH M SBV 1 4 0.0000 0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 7 8 9 M SBL 2 1 6 M SMT 2 OCR2 M SBV 2 6 -0.8229 0.0516 S SKP 5 ID LBG02-cg::R:ggggggggg:01 FORMULA C6H15O4R2 EXACTMASS 212.41923396800001 AVERAGEMASS 212.50310000000002 SMILES O M END