Mol:LBF14000BC03

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LBF14000BC03.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 17  0  0  1  0  0  0  0  0999 V2000 
   -2.6915    1.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7528    1.7848    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.7528    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4554    1.7848    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.4554    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0722    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4847    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3097    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2790    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6915    2.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6915    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4252    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0127    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4252    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0127   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4252   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0127   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4252   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  4  0  0  0 
  4  5  1  4  0  0  0 
  2  6  1  0  0  0  0 
  4  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
  1 12  1  0  0  0  0 
  2 18  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  1  0  0  0  0 
 17 18  1  0  0  0  0 
S  SKP  5 
ID	LBF14000BC03 
FORMULA	C16H32O2 
EXACTMASS	256.240230268 
AVERAGEMASS	256.42408 
SMILES	CCCCCCCCC(C)CCCC(C)C(O)=O 
M  END
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