Mol:LBF10000BC03

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LBF10000BC03.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 17  0  0  1  0  0  0  0  0999 V2000 
   -1.8934    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4764    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1352    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1352    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1085    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3124    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8998   -0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0749   -0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3377   -0.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3571   -1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9446   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1196   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2930    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4489    0.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8614    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4809    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8934    1.2705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8934   -0.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2  9  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 
  4 10  1  0  0  0  0 
  5 13  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 
  3 14  1  0  0  0  0 
 15 14  1  4  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
S  SKP  5 
ID	LBF10000BC03 
FORMULA	C16H32O2 
EXACTMASS	256.240230268 
AVERAGEMASS	256.42408 
SMILES	CCCCCCC(CCCCCC)CCC(O)=O 
M  END
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