Kosata Bedrich       Example 8    <<       >>       BOOK      KEYWORDS      EXAMPLES      HELP     

Find all nonsubstituted naphtalenecarboxylic acids.
 
     Query 1         Query 2   

     Query 1       HOME      Hitset 1     

The first aproach is to find 1-naphtalenecarboxylic acid and 2-naphtalenecarboxylic acid separately

  Q1    41 hits  

  Note:  
1-naphtalenecarboxylic acid
  Q2    25 hits  

  Note:  
2-naphtalenecarboxylic acid
  Q3    66 hits  
       .Q1 or .Q2       
  Note:  
putting the two parts together
     Hitset 1       HOME      Query 1     
 1 

972039
 2 

1908896
  3 

2100898

  Comments:
 3. Of course hits will contain substances with isotopic substitution  

     Query 2       HOME      Hitset 2     

If you are too lazy to draw them both you can use this aproach

  Q1    29814 hits  
no implicit ring closures
  Q2    181 hits  
       mf = c11h8o2       
  Note:  
Reducing of first search with molecular formula, as a side effect this removes hits with deuterium substitution
  Q3    9 hits  
       .Q1 and .Q2       
  Note:  
putting the two parts together
     Hitset 2       HOME      Query 2     
 1 

972039
 2 

1908896
  3 

2100898
  4 

5425288

  Comments:
 3. Of course hits will contain substances with isotopic substitution of carbons and oxygen  
 4. This curious molecule is also found because it has the same mf   

 

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