Mol:LBG01gcc:g:R:R

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21 15  0  0  0  0  0  0  0  0999 V2000 
   1.3549    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1799    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1799    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3549    0.6187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1799   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4654   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4654   -1.4437    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   3.0028    0.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3698   -0.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1932   -0.2233    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0795    1.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0795    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2730    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2730    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0043    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7568    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7807    0.5363    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1932   -0.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1932    1.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9557    0.5363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3465    1.3695    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 
 6  7  1  0 
 3  8  1  1 
 8  9  1  0 
 9 10  1  0 
11 12  1  0 
13 14  2  0 
15 16  1  0 
17 18  2  0 
17 19  2  0 
17 20  1  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 5 6 7 M SBL 1 1 4 M SMT 1 CH2OR1 M SBV 1 4 0.0000 0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 8 9 10 M SBL 2 1 7 M SMT 2 OCR2 M SBV 2 7 -0.8229 0.0516 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 17 18 19 20 M SMT 3 HSO3 S SKP 5 ID LBG01gcc:ggggggggg:R:R:01 FORMULA C10H27O7R1R2S EXACTMASS 383.13104890799997 AVERAGEMASS 383.36648 SMILES O M END