Mol:LBF12000HO03

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LBF12000HO03.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  1  0  0  0  0  0999 V2000 
    1.7389    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3218   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9489    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5360   -0.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9543    1.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1559   -0.2626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5729    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0102   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5932    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1761   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7591    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3421   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9527    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5360   -0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1559   -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 
  6 15  1  4  0  0  0 
S  SKP  5 
ID	LBF12000HO03 
FORMULA	C12H24O3 
EXACTMASS	216.172544634 
AVERAGEMASS	216.31716 
SMILES	CCCCCCCCC(O)CCC(O)=O 
M  END
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