Mol:FL5FAAGSS001

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FL5FAAGSS001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 40  0  0  0  0  0  0  0  0999 V2000 
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   -4.1286    1.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7086   -2.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7947   -1.7549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5430   -3.0894    0.0000 O   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 
  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 
 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 
 17 12  1  0  0  0  0 
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 19 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
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 22 21  1  1  0  0  0 
 15 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
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 31 34  2  0  0  0  0 
  1 32  1  0  0  0  0 
 35 36  2  0  0  0  0 
 35 37  1  0  0  0  0 
 22 35  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  35  36  37 
M  SBL   1  1  40 
M  SMT   1  COOH 
M  SBV   1  40   -0.9259    0.4290 
S  SKP  5 
ID	FL5FAAGSS001 
FORMULA	C21H18O15S 
EXACTMASS	542.036640596 
AVERAGEMASS	542.42462 
SMILES	C(C(C(O)=O)1)(O)C(C(C(OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c23)cc(cc2O)OS(O)(=O)=O)O1)O)O 
M  END
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