Mol:LBG01ccg:R:R:g

15 11  0  0  0  0  0  0  0  0999 V2000 
  -1.4707    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7182    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1201    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2951    1.4437    0.0000 C   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 
  -1.1201    0.6187    0.0000 H   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 
  -1.0096   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0096   -1.4437    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
   0.5278    0.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8948   -0.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7182   -0.2233    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
   0.7980    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7980    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8676    1.3695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  4  1  0 
 4  5  1  6 
 5  6  1  1 
 5  7  1  6 
 7  8  1  0 
 8  9  1  0 
 5 10  1  1 
10 11  1  0 
11 12  1  0 
13 14  2  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 7 8 9 M SBL 1 1 5 M SMT 1 CH2OR1 M SBV 1 5 0.0000 0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 10 11 12 M SBL 2 1 8 M SMT 2 OCR2 M SBV 2 8 -0.8229 0.0516 S SKP 5 ID LBG01ccg:R:R:ggggggggg:01 FORMULA C8H20O4R1R2 EXACTMASS 272.11945912799996 AVERAGEMASS 272.2253 SMILES O M END