Mol:LBF15000BC01

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LBF15000BC01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 18 17  0  0  0  0  0  0  0  0999 V2000
   -3.3413   -0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9242    0.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4263    0.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1567   -0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7397    0.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3228   -0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058    0.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901   -0.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731    0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7909   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7936   -1.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5072    0.2090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9242    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  2 18  1  0  0  0  0
S  SKP  5
ID	LBF15000BC01
FORMULA	C16H32O2
EXACTMASS	256.240230268
AVERAGEMASS	256.42408
SMILES	CC(C)CCCCCCCCCCCCC(O)=O
M  END

</pre>

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