Mol:FL5FACGS0064

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Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
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    1.7913    1.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    0.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1609    0.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337   -0.4492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
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 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 21  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 26 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  32  33  34
M  SBL   1  1  37
M  SMT   1  COOH
M  SBV   1  37   -0.9134    0.0678
S  SKP  5
ID	FL5FACGS0064
FORMULA	C21H18O13
EXACTMASS	478.07474066199995
AVERAGEMASS	478.35982
SMILES	C(C(C(O)=O)1)(O)C(C(C(Oc(c4)c(O)cc(c4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)O1)O)O
M  END

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