Mol:FL5F1CGS0002

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FL5F1CGS0002.png

 
 
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 32 35  0  0  0  0  0  0  0  0999 V2000 
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    2.8107    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.7720    1.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
  9 12  1  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 
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 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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