Mol:FL3FEAGS0033

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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  9 12  1  0  0  0  0 
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 15 16  1  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  33 
M  SMT   1 ^ OCH3 
M  SBV   1  33    0.5313    0.3067 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  35 
M  SMT   2 ^ OCH3 
M  SBV   2  35    0.6226   -0.3595 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  3  33  34  35 
M  SBL   3  1  38 
M  SMT   3  COOH 
M  SBV   3  38   -1.0686   -0.0921 
S  SKP  5 
ID	FL3FEAGS0033 
FORMULA	C23H22O12 
EXACTMASS	490.111126168 
AVERAGEMASS	490.41358 
SMILES	C(=O)(c43)C=C(Oc(cc(c(OC)c(O)4)OC)3)c(c1)ccc(OC(O2)C(O)C(C(O)C2C(O)=O)O)c1 
M  END