Mol:FL5FCAGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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    4.4304   -1.7912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
  3 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
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 25 27  1  0  0  0  0 
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 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
 30 31  1  0  0  0  0 
  1 30  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
 23 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  34 
M  SMT   1 ^ OCH3 
M  SBV   1  34    0.7147   -0.4126 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  3  32  33  34 
M  SBL   2  1  37 
M  SMT   2  COOH 
M  SBV   2  37   -0.9127    0.6169 
S  SKP  5 
ID	FL5FCAGS0003 
FORMULA	C22H20O12 
EXACTMASS	476.095476104 
AVERAGEMASS	476.387 
SMILES	O(C(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)ccc(c2)O)C(C(O)1)OC(C(O)C1O)C(O)=O 
M  END