Mol:FL3FAIGS0004

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Copyright: ARM project http://www.metabolome.jp/
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  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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  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 20  1  1  0  0  0  0
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 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
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 35 30  1  0  0  0  0
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 14 42  1  0  0  0  0
 44 45  1  0  0  0  0
 16 44  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  45
M  SMT   1 ^ CH2OH
M  SBV   1  45    0.6709   -0.7095
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  47
M  SMT   2  OCH3
M  SBV   2  47   -0.8688    0.5225
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  44  45
M  SBL   3  1  49
M  SMT   3  OCH3
M  SBV   3  49   -0.0217   -0.8587
S  SKP  5
ID	FL3FAIGS0004
FORMULA	C29H34O16
EXACTMASS	638.18468504
AVERAGEMASS	638.57066
SMILES	c(OC)(c1)c(c(OC)cc1C(O2)=CC(c(c(O)3)c2cc(OC(O5)C(C(C(O)C5CO)O)OC(O4)C(O)C(C(C4C)O)O)c3)=O)O
M  END

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