Mol:LBF13000OX03

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LBF13000OX03.png

 
 
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 16 15  0  0  0  0  0  0  0  0999 V2000 
    1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9296    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6441   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9296    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9296   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6441    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9296   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
S  SKP  5 
ID	LBF13000OX03 
FORMULA	C13H24O3 
EXACTMASS	228.172544634 
AVERAGEMASS	228.32786 
SMILES	CC(=O)CCCCCCCCCCC(O)=O 
M  END
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