Mol:FL5FCAGL0002

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Copyright: ARM project http://www.metabolome.jp/
 42 46  0  0  0  0  0  0  0  0999 V2000
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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
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 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
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
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 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 18  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 30  1  0  0  0  0
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  1 39  1  0  0  0  0
 41 42  1  0  0  0  0
 32 41  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  37  38
M  SBL   1  1  42
M  SMT   1 ^ CH2OH
M  SBV   1  42    0.0133    0.7750
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  39  40
M  SBL   2  1  44
M  SMT   2 ^ OCH3
M  SBV   2  44    0.6991   -0.4036
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  41  42
M  SBL   3  1  46
M  SMT   3  CH2OH
M  SBV   3  46    0.0000    0.6394
S  SKP  5
ID	FL5FCAGL0002
FORMULA	C27H30O15
EXACTMASS	594.15847029
AVERAGEMASS	594.5181
SMILES	C(OC(C3=O)=C(c(c5)ccc(c5)O)Oc(c4)c(c(O)cc4OC)3)(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO
M  END

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