Mol:LBF15101SC01

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LBF15101SC01.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 16  0  0  0  0  0  0  0  0999 V2000 
    3.5145   -0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1277   -0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8427   -0.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1277    0.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9095   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2770   -0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6252   -0.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9625   -0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3259   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3080   -0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8855   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5579   -0.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2055   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8751   -0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5255   -0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1951   -0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8427   -0.0681    0.0000 C   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 
  2  4  2  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 
  1  5  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 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
S  SKP  5 
ID	LBF15101SC01 
FORMULA	C15H28O2 
EXACTMASS	240.20893013999998 
AVERAGEMASS	240.38162 
SMILES	C=CCCCCCCCCCCCCC(O)=O 
M  END
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