Mol:LBF11000BC07

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LBF11000BC07.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
   -4.2058    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1096    0.2181    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1096    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7947    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2058    0.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2058   -0.4939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5936    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1825   -0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3604   -0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9493   -1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3545    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7655   -0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5877   -0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9987   -1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  4  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2 10  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 
  2 11  1  0  0  0  0 
  4 14  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
S  SKP  5 
ID	LBF11000BC07 
FORMULA	C12H24O2 
EXACTMASS	200.17763001199998 
AVERAGEMASS	200.31776 
SMILES	CCCCCC(C)CCCCC(O)=O 
M  END
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