Mol:LBF10000OX01

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LBF10000OX01.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 12  0  0  0  0  0  0  0  0999 V2000 
    0.7145   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5724   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5724   -0.2062    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 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  1  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 
  3 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
S  SKP  5 
ID	LBF10000OX01 
FORMULA	C10H18O3 
EXACTMASS	186.125594442 
AVERAGEMASS	186.24812 
SMILES	CCCCCCCCC(=O)C(O)=O 
M  END
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