Mol:LBF12000BC08

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LBF12000BC08.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 14  0  0  1  0  0  0  0  0999 V2000
   -0.4627   -0.7120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4627    0.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0126   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6015   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126   -1.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4772    0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9436   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9986   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  4  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  3 12  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
  1 13  1  0  0  0  0
  4 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
S  SKP  5
ID	LBF12000BC08
FORMULA	C13H26O2
EXACTMASS	214.19328007599998
AVERAGEMASS	214.34433999999996
SMILES	CCCCCCCC(C)CCCC(O)=O
M  END

</pre>

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