Mol:LBF12000BC05

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LBF12000BC05.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  1  0  0  0  0  0999 V2000 
    0.5490    0.9301    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5490    1.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0009    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0103    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4213    1.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4213    0.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0009   -1.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1788   -1.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7677   -1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9456   -1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5345   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2876   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6987    0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5209    0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9319    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  4  0  0  0 
  1  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  3 15  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 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
S  SKP  5 
ID	LBF12000BC05 
FORMULA	C13H26O2 
EXACTMASS	214.19328007599998 
AVERAGEMASS	214.34433999999996 
SMILES	CCCCCCCCCCC(C)C(O)=O 
M  END
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