Mol:LBF12000BC12

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LBF12000BC12.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  1  0  0  0  0  0999 V2000 
   -1.3285    1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4264    1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4264    2.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4014    1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8385    1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8927    1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3051    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8927    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3051   -0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8927   -1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3051   -1.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8927   -2.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4259    1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8385    2.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8385    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  4  0  0  0 
  4  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  6  7  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 
 12 11  1  4  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
S  SKP  5 
ID	LBF12000BC12 
FORMULA	C13H26O2 
EXACTMASS	214.19328007599998 
AVERAGEMASS	214.34433999999996 
SMILES	CCCC(C)CCCCCCCC(O)=O 
M  END
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