Mol:FL5FADGS0007

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FL5FADGS0007.png

 
 
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 34 37  0  0  0  0  0  0  0  0999 V2000 
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    0.0844   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0844    0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.6407   -0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1970   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1970    0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6407    0.7848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6407   -1.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7531    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3201    0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8871    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8871    1.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3201    1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7531    1.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5843    0.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4719   -1.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8871    1.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7531   -0.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7589   -1.3938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.3165   -1.9778    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.6795   -1.7301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.0647   -1.7234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.5114   -1.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0688   -1.5708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.3714   -1.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0062   -2.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3144   -2.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6035    2.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0449    3.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0975   -1.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8452   -0.8125    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 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 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 
  8 21  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 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 19  1  0  0  0  0 
 16 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 27 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  33  34 
M  SBL   2  1  36 
M  SMT   2  CH2OH 
M  SVB   2 36   -2.1682   -1.1724 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34    2.6035    2.3428 
S  SKP  8 
ID	FL5FADGS0007 
KNApSAcK_ID	C00005529 
NAME	Isorhamnetin 5-glucoside 
CAS_RN	34199-20-7 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)cc2O)C 
M  END
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