Mol:FL3FEAGS0016

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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    4.4164    1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.4610    2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
 15 19  1  0  0  0  0 
 20  3  1  0  0  0  0 
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 30 32  1  0  0  0  0 
 26 30  1  0  0  0  0 
 33 34  1  0  0  0  0 
  2 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  30  31  32 
M  SBL   1  1  35 
M  SMT   1 ^ COOH 
M  SBV   1  35    0.5624   -0.7025 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  37 
M  SMT   2 ^ OCH3 
M  SBV   2  37    0.6492    0.3748 
S  SKP  5 
ID	FL3FEAGS0016 
FORMULA	C22H20O12 
EXACTMASS	476.095476104 
AVERAGEMASS	476.387 
SMILES	COc(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1 
M  END