Mol:LBF13000HO01

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LBF13000HO01.png

 
 
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 16 15  0  0  1  0  0  0  0  0999 V2000 
    2.0306    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6135   -0.2626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.2406    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8277   -0.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2460    1.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4476   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8646    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2815   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3015    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8844   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4674    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0504   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6610    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2444   -0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8277    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6135   -1.0876    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 
  3  5  2  0  0  0  0 
  1  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 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
  2 16  1  4  0  0  0 
S  SKP  5 
ID	LBF13000HO01 
FORMULA	C13H26O3 
EXACTMASS	230.188194698 
AVERAGEMASS	230.34373999999997 
SMILES	CCCCCCCCCCCC(O)C(O)=O 
M  END
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