Mol:LBF12000BC08

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LBF12000BC08.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  1  0  0  0  0  0999 V2000 
   -0.4627   -0.7120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.4627    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0126   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6015   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0126    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0126   -1.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0661    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4772    0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2993    0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9436   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9986   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4096   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2318   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  4  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  3 12  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  0  0  0  0 
  4 15  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
S  SKP  5 
ID	LBF12000BC08 
FORMULA	C13H26O2 
EXACTMASS	214.19328007599998 
AVERAGEMASS	214.34433999999996 
SMILES	CCCCCCCC(C)CCCC(O)=O 
M  END
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