Mol:FL3FADGS0012

<pre>

Copyright: ARM project http://www.metabolome.jp/
 46 50  0  0  0  0  0  0  0  0999 V2000
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  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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  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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 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
 19 15  1  0  0  0  0
  1 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 30 31  1  0  0  0  0
 34 29  1  0  0  0  0
 24 20  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 36 39  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 26 42  1  0  0  0  0
 45 46  1  0  0  0  0
 16 45  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  39  40  41
M  SBL   1  1  45
M  SMT   1 ^ COOH
M  SBV   1  45    0.8438   -0.4204
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  42  43  44
M  SBL   2  1  48
M  SMT   2 ^ COOH
M  SBV   2  48    0.5177   -0.5428
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  45  46
M  SBL   3  1  50
M  SMT   3  OCH3
M  SBV   3  50   -0.0043   -0.6822
S  SKP  5
ID	FL3FADGS0012
FORMULA	C28H28O18
EXACTMASS	652.1275640920001
AVERAGEMASS	652.51112
SMILES	Oc(c43)cc(cc(OC(c(c5)cc(c(c5)O)OC)=CC4=O)3)OC(C1OC(O2)C(O)C(O)C(C(C(O)=O)2)O)OC(C(O)=O)C(C1O)O
M  END

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