Mol:LBF20406HO03

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LBF20406HO03.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 23  0  0  1  0  0  0  0  0999 V2000
   -3.3875    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8350    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3738    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7088    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600    0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9754    0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    1.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -0.3497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0898    0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8488    0.3496    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8488   -0.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5627   -0.8868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693    0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7571   -0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9328   -0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -1.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3738    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    0.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600    0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21  3  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 24 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14  8  1  4  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 21  2  0  0  0  0
  4 22  2  0  0  0  0
  6 23  2  0  0  0  0
  8 24  2  0  0  0  0
S  SKP  5
ID	LBF20406HO03
FORMULA	C20H32O4
EXACTMASS	336.23005951199997
AVERAGEMASS	336.46567999999996
SMILES	C(CC=CCC=CCC=CCC(OO)C=CCCC(O)=O)CCC
M  END

</pre>

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