Mol:LBF13000BC05

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LBF13000BC05.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  1  0  0  0  0  0999 V2000 
   -4.1069    2.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8827    2.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8827    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2789    2.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8664    2.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0414    2.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7469    2.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1593    2.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7469    1.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1593    0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7469   -0.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1593   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7369   -3.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1069    0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5294    3.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5294    2.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  4  0  0  0 
  1  4  1  0  0  0  0 
  2  6  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  2  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 
 11 12  1  0  0  0  0 
 13 12  1  4  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
S  SKP  5 
ID	LBF13000BC05 
FORMULA	C14H28O2 
EXACTMASS	228.20893013999998 
AVERAGEMASS	228.37091999999998 
SMILES	CCCCC(C)CCCCCCCC(O)=O 
M  END
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