Mol:FL3FECGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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    4.5049   -0.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.8290   -2.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  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 
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  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  7 19  2  0  0  0  0 
 14 20  1  0  0  0  0 
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 22 23  1  1  0  0  0 
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 25 24  1  1  0  0  0 
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 23 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 21 30  1  0  0  0  0 
 13 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    0.6730    0.4282 
S  SKP  5 
ID	FL3FECGS0001 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)O 
M  END