Mol:LBF20406HO04

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LBF20406HO04.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 23  0  0  1  0  0  0  0  0999 V2000
   -3.4632    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4618    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5891    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9099    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9099   -0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954   -0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8322   -0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0071   -0.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6381   -0.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4632   -0.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9058    0.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3182    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3182   -0.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4618    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5891    0.2689    0.0000 C   0  0  0  0  0  0  0  0  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
  7 24  1  0  0  0  0
 21  9  1  0  0  0  0
  9  3  1  4  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 15  1  4  0  0  0
 15 16  1  0  0  0  0
 17 16  1  4  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 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	LBF20406HO04
FORMULA	C20H32O4
EXACTMASS	336.23005951199997
AVERAGEMASS	336.46567999999996
SMILES	C(C=CCC=CCC(OO)C=CCCCC)C=CCCCC(O)=O
M  END

</pre>

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