Mol:FL5FDCGS0007

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FL5FDCGS0007.png

 
 
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 34 37  0  0  0  0  0  0  0  0999 V2000 
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    1.4484    2.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0355   -3.0106    0.0000 C   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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 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 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 
 16 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
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 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
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 24 30  1  0  0  0  0 
 21 25  1  0  0  0  0 
 27 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
  8 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  34 
M  SMT   2  CH2OH 
M  SVB   2 34    0.7339    2.6198 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1  OCH3 
M  SVB   1 36    0.5023   -2.2168 
S  SKP  8 
ID	FL5FDCGS0007 
KNApSAcK_ID	C00005495 
NAME	Quercetin 3-methyl ether 3'-glucoside 
CAS_RN	115473-28-4 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	O[C@@H]([C@H]4O)[C@@H](OC(CO)[C@@H]4O)Oc(c1)c(O)ccc1C(=C(OC)2)Oc(c3)c(c(cc3O)O)C2=O 
M  END
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