Mol:FL5FEAGS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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  4  5  2  0  0  0  0 
  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 
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 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
  3 21  1  0  0  0  0 
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 23 24  1  1  0  0  0 
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 33 34  1  0  0  0  0 
 27 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  35 
M  SMT   1 ^ OCH3 
M  SBV   1  35    0.6069    0.3790 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  37 
M  SMT   2 ^ CH2OH 
M  SBV   2  37    0.5503   -0.5135 
S  SKP  5 
ID	FL5FEAGS0008 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	COc(c3OC(C(O)4)OC(CO)C(C4O)O)c(c(C2=O)c(c3)OC(=C2O)c(c1)ccc(c1)O)O 
M  END