Mol:LBF16401SC02

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LBF16401SC02.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 17  0  0  0  0  0  0  0  0999 V2000 
    3.6011   -0.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1594    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6544   -0.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1594    0.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9961    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3911   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8136    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1536   -0.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5486    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0289   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5789    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1289   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7339    0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3939   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9439    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5214   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0714    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6544   -0.4558    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 
  1  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
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  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
S  SKP  5 
ID	LBF16401SC02 
FORMULA	C16H24O2 
EXACTMASS	248.17763001199998 
AVERAGEMASS	248.36056 
SMILES	C=CCC=CCC=CCC=CCCCCC(O)=O 
M  END
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