Mol:LBF20503HO06

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LBF20503HO06.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 22  0  0  1  0  0  0  0  0999 V2000
   -4.0427    0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0427   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279   -0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6143   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6143    0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8994   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1846   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4697   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879    0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581    0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0427   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8994   -1.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703    0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703   -0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859    1.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  1  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
S  SKP  5
ID	LBF20503HO06
FORMULA	C20H30O3
EXACTMASS	318.21949482599996
AVERAGEMASS	318.4504
SMILES	C(CC=CC=C(CCC=CCC=CCCCC(O)=O)O)=CCC
M  END

</pre>

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