How to correct the structure of an existing compound.

  1. Add the reference correcting the structure to ../refs.html.
  2. Determine whether the new structure still matches the generic structure.
  3. In ../data.js, search for the name of the compound whose structure you are correcting.
  4. Move the cursor down three lines. You will be at the first (and perhaps only) line associated with the reference(s).
  5. Add the new reference to the existing reference(s).
  6. If the new structure still matches the generic structure:
    1. Change the R and X group descriptions of the compound appropriately.
    2. If appropriate, move the five-membered array describing the compound to a different position among the compounds associated with this generic structure.
  7. Otherwise:

    1. Copy the references associated with the compound, and paste them somewhere for later use.
    2. Cut the data representing the compound from ../data.js.
      1. If this compound was associated with a singleton structure, for example:
        [ 	['hyperfirin', 'A', 'noC7', 'uncaged', 'bicyclononanes'],
        	[	'',
        		'hyperfirin',
        		'H. perforatum',
        		'NR',
        		['Tatsis 2007', 'doi.org/10.1016/j.phytochem.2006.11.026']
        	]
        ],
        
        delete the line describing the structure as well as the compound data:
        1. Move the cursor up to the line describing the singleton structure. (It begins with an open bracket, with no tab preceding it.)
        2. Select the current line and subsequent lines up to and including the one that begins with ],, with no tab preceding it.
        3. Delete the selected text.
      2. Otherwise, cut only the data representing the compound whose structure is being corrected. For example, if you want to delete the entry for kiiacylphnol A:

        [	['kiiacylphnolA', 'exo', 'A', 'uncaged', 'bicyclononanes'],
        	[	'i-Pr',
        		['kiiacylphnol A', 'c'], // footnote c 
        		'H. przewalskii Maxim',
        		'+13 (0.1, m)',
        		['Y. Duan 2022a', 'doi.org/10.1016/j.phytochem.2022.113166']
        	],
        	[	's-Bu',
        		['kiiacylphnol B', 'c,e'], // footnote c footnote e 
        		'H. przewalskii Maxim',
        		'+22 (0.6, m)',
        		['Y. Duan 2022a', 'doi.org/10.1016/j.phytochem.2022.113166']
        	]
        ],
        
        1. Move the cursor up to the first line describing the R or X groups of this compound.
        2. Select the current line and subsequent lines up to and including the first line that consists only of  ], or  ], where is a tab character.
        3. Delete the selected text.
        4. If you deleted the last five-membered array among two or more five-membered arrays associated with a single structure, delete the comma after the last close bracket in what is now the last five-membered array. (In the example, if you deleted the entry for kiiacylphnol B instead of kiiacylphnol A, you would also need to delete the comma at the end of entry for kiiacylphnol A.

  8. Delete the (incorrect) modified MOL representation of the compound.
    1. Open ../molStrucs.js for editing with a text editor. Note: this is a very long document.
    2. Find the compound's MOL representation by searching for the name of the compound.
    3. Delete the text between the single apostrophes on the current line. The resulting line should be:
       	'compound name': '',
      
    4. Save the changes.
  9. Enter the compound in the table as a new compound.
  10. Add the saved references to the newest one.
  11. Verify your work.