Mol:LBF11000BC06

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LBF11000BC06.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
   -4.2201    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1100    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1100    1.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5965    0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8076    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2201    1.6477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2201    0.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6024    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1899    0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6024   -0.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1899   -1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6024   -1.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1840    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4695    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  4  0  0  0 
  4  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 12  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 
  4 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  2 14  1  0  0  0  0 
S  SKP  5 
ID	LBF11000BC06 
FORMULA	C12H24O2 
EXACTMASS	200.17763001199998 
AVERAGEMASS	200.31776 
SMILES	CCCCCCC(C)CCCC(O)=O 
M  END
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