Mol:LBF11000BC01

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LBF11000BC01.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  0  0  0  0  0  0999 V2000 
   -2.1746   -0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7576    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3406   -0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5916    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0086   -0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4256    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1574   -0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7576    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7404    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3234   -0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9064    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6242   -0.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6269   -1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3406    0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  2  3  1  0  0  0  0 
  4  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  2  8  1  0  0  0  0 
  7  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 
 12 14  2  0  0  0  0 
S  SKP  5 
ID	LBF11000BC01 
FORMULA	C12H24O2 
EXACTMASS	200.17763001199998 
AVERAGEMASS	200.31776 
SMILES	CC(C)CCCCCCCCC(O)=O 
M  END
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