Mol:LBF10000BC04

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LBF10000BC04.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 18 17  0  0  1  0  0  0  0  0999 V2000
   -1.9199    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8632    1.2778    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8632    0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019    0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6628    0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3801    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3801   -0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3801   -1.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9199    1.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9199    0.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5777    2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8632    1.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  4  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 13  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
  3 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3 18  1  0  0  0  0
 17 18  1  0  0  0  0
S  SKP  5
ID	LBF10000BC04
FORMULA	C16H32O2
EXACTMASS	256.240230268
AVERAGEMASS	256.42408
SMILES	CCCCCCCCC(CC)(CCCC)C(O)=O
M  END

</pre>

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