Mol:LBF11000BC11

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LBF11000BC11.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
   -3.3357    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0399    1.6015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.2600    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0399    2.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9247    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3357    2.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3357    0.8895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3074    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8963    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3074    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8963   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3074   -1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8963   -1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3074   -2.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  4  0  0  0 
  3  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2 14  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 
S  SKP  5 
ID	LBF11000BC11 
FORMULA	C12H24O2 
EXACTMASS	200.17763001199998 
AVERAGEMASS	200.31776 
SMILES	CCCCCCCCC(C)CC(O)=O 
M  END
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