Mol:LBF14000BC01

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LBF14000BC01.png

 
 
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 17 16  0  0  1  0  0  0  0  0999 V2000 
   -3.0498   -0.2069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.6327    0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2157   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4668    0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3007    0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7177   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1348    0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4482   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0312    0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6143   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1973    0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0498   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7816   -0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4980    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2157   -0.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4966    1.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  2  3  1  0  0  0  0 
  4  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  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 
  1 13  1  4  0  0  0 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  2  0  0  0  0 
S  SKP  5 
ID	LBF14000BC01 
FORMULA	C15H30O2 
EXACTMASS	242.22458020399998 
AVERAGEMASS	242.3975 
SMILES	CCC(C)CCCCCCCCCCC(O)=O 
M  END
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