Mol:FL3FFCGS0019

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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    2.3290    0.9508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9442    2.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
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 18  1  1  0  0  0  0 
 15 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
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 23 22  1  1  0  0  0 
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 24 25  1  0  0  0  0 
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 20 26  1  0  0  0  0 
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 31 33  1  0  0  0  0 
 25 31  1  0  0  0  0 
 34 35  1  0  0  0  0 
 16 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  31  32  33 
M  SBL   1  1  36 
M  SMT   1  COOH 
M  SBV   1  36   -0.0776   -0.8861 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  38 
M  SMT   2  OCH3 
M  SBV   2  38    0.0000   -0.7349 
S  SKP  5 
ID	FL3FFCGS0019 
FORMULA	C22H20O13 
EXACTMASS	492.090390726 
AVERAGEMASS	492.3864 
SMILES	Oc(c24)cc(c(c(OC(=CC4=O)c(c3)cc(c(c3)O)OC)2)OC(C(O)1)OC(C(O)C1O)C(O)=O)O 
M  END