Mol:LBF11000OX05

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LBF11000OX05.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  0  0  0  0  0  0999 V2000 
    1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9296   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9296    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151   -1.0312    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 
  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 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 14  2  0  0  0  0 
S  SKP  5 
ID	LBF11000OX05 
FORMULA	C11H20O3 
EXACTMASS	200.141244506 
AVERAGEMASS	200.2747 
SMILES	CC(=O)CCCCCCCCC(O)=O 
M  END
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