Mol:LBF18302HP03

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LBF18302HP03.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 24  0  0  1  0  0  0  0  0999 V2000
   -3.3104    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7861    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0327    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5273    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2839    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    1.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220    0.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220   -0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345   -1.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220   -2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1096    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1096    1.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961    0.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8979   -2.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104   -3.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104   -1.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8979   -1.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756    1.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612    0.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1387    3.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4987    1.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0788    3.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  6  7  1  4  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
 13  5  1  4  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20  3  1  4  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5 25  2  0  0  0  0
 16 12  1  0  0  0  0
S  SKP  5
ID	LBF18302HP03
FORMULA	C19H32O6
EXACTMASS	356.219888756
AVERAGEMASS	356.45378
SMILES	CC=CC(OO)CC=CC=CC(OO)CCCCCCCC(=O)OC
M  END

</pre>

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