Mol:LBF20207EO01

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LBF20207EO01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 27  0  0  1  0  0  0  0  0999 V2000
   -3.3774   -0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907   -1.3227    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1069   -1.0683    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1082   -0.2461    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8893    0.0069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3946   -1.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7143    0.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7157   -1.3227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7278   -0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0128    0.2406    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7022   -0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322   -0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8472    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5622   -0.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1426   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8576   -1.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5726   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876   -1.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0128    1.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017    1.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012   -0.2406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7157   -1.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  4  0  0  0
  3  6  1  4  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  2  9  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  4  0  0  0
 10 11  2  0  0  0  0
 12 11  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
S  SKP  5
ID	LBF20207EO01
FORMULA	C20H32O6
EXACTMASS	368.219888756
AVERAGEMASS	368.46448
SMILES	C(CCC(OO)C=CC(C21)C(CC=CCCCC(O)=O)C(OO2)C1)CC
M  END

</pre>

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