Mol:LBG00--k:::CBZ1Sk013

13 13  0  0  0  0  0  0  0  0999 V2000 
  -1.6548   -0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6452    0.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6452    1.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8298   -0.4682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8202    1.1818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0048   -0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8202   -0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2327    0.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0577    0.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4702   -0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0577   -1.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2327   -1.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4702    0.3568    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 
 6  4  1  0 
 6  7  1  0 
 7  8  2  0 
 8  9  1  0 
 9 10  2  0 
10 11  1  0 
11 12  2  0 
 7 12  1  0 
 2 13  1  0 

S SKP 5 ID LBG00--k:::CBZ1Sk013:01 FORMULA C10H14O3 EXACTMASS 182.094294314 AVERAGEMASS 182.21636 SMILES OCC(O)COCc(c1)cccc1 M END