Mol:LBF12108SC01

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LBF12108SC01.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  0  0  0  0  0  0999 V2000 
    2.5960   -0.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2092   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9242   -0.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2092    0.6731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9910   -0.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3585   -0.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7067   -0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0440   -0.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5926   -0.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2265   -0.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5561   -0.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2546   -0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9242   -0.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  1  5  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 11 12  1  0  0  0  0 
 10 11  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
S  SKP  5 
ID	LBF12108SC01 
FORMULA	C12H22O2 
EXACTMASS	198.16197994799998 
AVERAGEMASS	198.30187999999998 
SMILES	CCCCCCCC=CCCC(O)=O 
M  END
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