Mol:LBF20406HO05

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LBF20406HO05.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 25  0  0  1  0  0  0  0  0999 V2000
   -3.3890    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6375    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0275    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6924    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1853    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7731   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9489   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5367   -1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3712    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3712   -0.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0851   -0.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4341    0.3569    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4341   -0.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203   -0.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7891    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2013    1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2013   -0.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1526    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3890   -0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0275    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6924    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23  3  1  0  0  0  0
 24 25  1  0  0  0  0
  5 26  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  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
  6 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  4  1  4  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 11 20  1  0  0  0  0
 17 22  1  0  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
  6 26  2  0  0  0  0
S  SKP  5
ID	LBF20406HO05
FORMULA	C20H32O6
EXACTMASS	368.219888756
AVERAGEMASS	368.46448
SMILES	C(CC=CCC(OO)C=CC=CC=CC(OO)CCCC(O)=O)CCC
M  END

</pre>

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