Mol:FL3FAADS0005

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Copyright: ARM project http://www.metabolome.jp/
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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
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  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
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 23 28  1  0  0  0  0
 24 20  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
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 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
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 39 40  1  0  0  0  0
 34 39  1  0  0  0  0
 26 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  39  40
M  SBL   1  1  44
M  SMT   1 ^CH2OH
M  SBV   1  44    0.4900   -0.4900
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  45
M  SMT   2 CH2OH
M  SBV   2  45    0.4343   -0.4343
S  SKP  5
ID	FL3FAADS0005
FORMULA	C27H30O15
EXACTMASS	594.15847029
AVERAGEMASS	594.5181
SMILES	c(c1)(ccc(C(=C5)Oc(c2)c(C5=O)c(c(C(C(O)4)OC(C(O)C(O)4)CO)c2OC(C3O)OC(C(O)C3O)CO)O)c1)O
M  END

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