Mol:LBF20406HO06

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LBF20406HO06.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 25  0  0  1  0  0  0  0  0999 V2000
   -3.3702    1.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525    3.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0342    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0644    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677    0.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823   -0.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1326    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5452    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3702    0.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7698    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823    1.8155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823    0.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2108    1.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7537    0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9287    0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -3.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800    1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963    1.9406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2108    2.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8925    3.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208    2.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
  3 25  1  0  0  0  0
 26  5  1  4  0  0  0
  4  7  1  0  0  0  0
  7  5  1  4  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  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
 20  2  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
  3 24  2  0  0  0  0
  4 25  2  0  0  0  0
  6 26  2  0  0  0  0
S  SKP  5
ID	LBF20406HO06
FORMULA	C20H32O6
EXACTMASS	368.219888756
AVERAGEMASS	368.46448
SMILES	C(CCC(OO)C=CC=CC=CC(OO)CC=CCCCC(O)=O)CC
M  END

</pre>

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