Mol:FL5F1CGS0002

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Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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    3.5324    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    1.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8682    0.5866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
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  1 18  1  0  0  0  0
  8 19  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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 16 30  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1 CH2OH
M  SBV   1 34   -8.3275    3.4355
S  SKP  8
ID	FL5F1CGS0002
KNApSAcK_ID	C00005302
NAME	Fisetin 4'-glucoside
CAS_RN	95399-27-2
FORMULA	C21H20O11
EXACTMASS	448.100561482
AVERAGEMASS	448.3769
SMILES	c(O)(c1)ccc(C2=O)c1OC(c(c4)cc(O)c(c4)OC(O3)C(O)C(O)C(O)C3CO)=C2O
M  END

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