Mol:LBG01-cg::R:g

13 10  0  0  0  0  0  0  0  0999 V2000 
  -1.1201    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2951    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2951    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1201    0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7182    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5278    0.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8948   -0.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7182   -0.6358    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2951   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0096   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7980    0.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7980    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8225    0.9230    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 
 1  5  1  0 
 3  6  1  1 
 6  7  1  0 
 7  8  1  0 
 3  9  1  6 
 9 10  1  0 
11 12  2  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 6 7 8 M SBL 1 1 5 M SMT 1 OCR2 M SBV 1 5 -0.8229 0.0516 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 9 10 M SBL 2 1 8 M SMT 2 CHOH M SBV 2 8 0.0000 0.8250 S SKP 5 ID LBG01-cg::R:ggggggggg:01 FORMULA C7H17O4R2 EXACTMASS 226.434884032 AVERAGEMASS 226.52968 SMILES O M END