Mol:LBF20406HO02

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LBF20406HO02.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 23  0  0  1  0  0  0  0  0999 V2000
   -3.4739    1.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4879   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1389   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6488   -1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4739   -1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005    0.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005   -1.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4029   -1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052    0.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454   -1.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4309   -1.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4879   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  4  0  0  0
  8  9  1  0  0  0  0
 10  9  1  4  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 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
 17 18  1  0  0  0  0
 18  2  1  4  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 21  2  0  0  0  0
  3 22  2  0  0  0  0
  5 23  2  0  0  0  0
  7 24  2  0  0  0  0
S  SKP  5
ID	LBF20406HO02
FORMULA	C20H32O4
EXACTMASS	336.23005951199997
AVERAGEMASS	336.46567999999996
SMILES	C(CCC(OO)C=CC=CCC=CCC=CCCCC(O)=O)CC
M  END

</pre>

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