Mol:LBF11000BC09

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LBF11000BC09.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
   -3.1698    0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8635    1.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1605    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1605    2.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3087    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7212    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3087   -0.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7212   -1.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3087   -1.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7212   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5640    2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7574    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1698    1.7866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1698    0.3577    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  4  0  0  0 
  3  5  1  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 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 11 10  1  4  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
S  SKP  5 
ID	LBF11000BC09 
FORMULA	C12H24O2 
EXACTMASS	200.17763001199998 
AVERAGEMASS	200.31776 
SMILES	CCC(C)CCCCCCCC(O)=O 
M  END
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