Mol:FL5FECGS0020

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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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 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
 16 21  1  0  0  0  0 
 27 22  1  1  0  0  0 
 26 22  1  1  0  0  0 
 25 27  1  1  0  0  0 
 22 23  1  0  0  0  0 
 27 24  1  0  0  0  0 
 28 25  1  0  0  0  0 
 26 28  1  0  0  0  0 
 25 18  1  0  0  0  0 
 29 30  1  0  0  0  0 
  2 29  1  0  0  0  0 
 31 32  1  0  0  0  0 
 22 31  1  0  0  0  0 
 33 34  1  0  0  0  0 
  1 33  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    0.6752    0.3898 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  35 
M  SMT   2 ^ CH2OH 
M  SBV   2  35    0.6518   -0.6518 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  33  34 
M  SBL   3  1  37 
M  SMT   3 ^ OCH3 
M  SBV   3  37    0.7692   -0.4441 
S  SKP  5 
ID	FL5FECGS0020 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	c(c(C(=C(OC(O4)C(C(O)(CO)C4)O)3)Oc(c2C3=O)cc(c(c2O)OC)OC)1)cc(c(c1)O)O 
M  END