Mol:FL3FABGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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  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 
  1 18  1  0  0  0  0 
 19  3  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
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 29 30  1  0  0  0  0 
 15 29  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 25 31  1  0  0  0  0 
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   -0.7145   -0.4125 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  3  31  32  33 
M  SBL   2  1  36 
M  SMT   2 ^ COOH 
M  SBV   2  36    0.6819   -0.6819 
S  SKP  5 
ID	FL3FABGS0003 
FORMULA	C22H20O11 
EXACTMASS	460.100561482 
AVERAGEMASS	460.3876 
SMILES	OC(C4C(O)=O)C(C(O)C(O4)Oc(c3)cc(c(c3O)2)OC(=CC2=O)c(c1)ccc(OC)c1)O 
M  END