Mol:FL3FCBCS0005

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Copyright: ARM project http://www.metabolome.jp/
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  3 12  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 13  9  1  0  0  0  0
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 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
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 16 40  1  0  0  0  0
 42 43  1  0  0  0  0
  1 42  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  43
M  SMT   1 ^ CH2OH
M  SBV   1  43    0.5427   -0.4446
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  45
M  SMT   2  OCH3
M  SBV   2  45   -0.7527   -0.4345
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  42  43
M  SBL   3  1  47
M  SMT   3 ^ OCH3
M  SBV   3  47    0.6639   -0.4017
S  SKP  5
ID	FL3FCBCS0005
FORMULA	C29H34O14
EXACTMASS	606.194855796
AVERAGEMASS	606.57186
SMILES	O(C)c(c1)ccc(C(=C2)Oc(c5)c(c(c(c5OC)C(C3OC(O4)C(O)C(O)C(C(C)4)O)OC(C(O)C3O)CO)O)C2=O)c1
M  END

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