Mol:FL5FECGS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -2.0208   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.4015   -1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    4.1242   -1.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2265    1.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7220   -2.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7973    2.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0749   -1.3301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1743   -1.8501    0.0000 C   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 
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 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 
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 21 22  1  1  0  0  0 
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 24 25  1  0  0  0  0 
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 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
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 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 32 33  1  0  0  0  0 
  2 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1 ^OCH3 
M  SBV   1  36    0.6516    0.2987 
S  SKP  5 
ID	FL5FECGS0005 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	COc(c1O)c(O)cc(O2)c1C(C(OC(O4)C(O)C(C(O)C4)O)=C2c(c3)cc(c(O)c3)O)=O 
M  END