Mol:FL5FACGS0011

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FL5FACGS0011.png

 
 
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 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -3.2798   -0.5083    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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 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
  8 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
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 28 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  CH2OH 
M  SVB   1 35   -2.3242    -0.803 
S  SKP  8 
ID	FL5FACGS0011 
KNApSAcK_ID	C00005379 
NAME	Quercetin 5-glucoside 
CAS_RN	34199-21-8 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	[C@@H]([C@@H]1Oc(c32)cc(O)cc2OC(c(c4)cc(c(O)c4)O)=C(C3=O)O)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END
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