Create Structure Images from Standard InChIKeys

As you might already have found out, the Chemical Identifier Resolver allows to create a GIF image from a Standard InChIKey very easily:

The same  can be done for any chemical structure identifier accepted by the Resolver:

The images are all created by CACTVS. So far, the service returned always a 250×250 GIF image but for the generation of structure images you might of course ask for more control about how the structure image is to be created.  So we added a few (URL) options to the image method of the Resolver. For instance, the following image has just been created from the URL shown in the caption:

More options are:

Create a PNG image instead of GIF:

Change width, height, linewidth and fontsize:

Add some background color:

You can also use the html hex code color codes (the ‘#’ character has to be URL-escaped as ‘%23’ in this case):


For an image with transparent background use ‘transparent’ as color name and switch off antialiasing:

Show black atom labels instead of the default color scheme for the different atom element types:

Control which hydrogen atoms are shown:

The default values is special, i.e. only hydrogen atoms in functional groups or defining stereochemistry are shown.

Control how carbon atoms are shown:
The default values is special, if all is used all carbon atoms are shown as atom symbol:
Change the colors for hydrogen atoms:

Use another color for bonds:

Show R/S stereo labels:

Add some text to the image:"Aspirin on the top""Aspirin on the bottom"

Add a frame:

There are more options and we will document them more exhaustively later. If you are familiar with all options CACTVS has available for controlling the GIF/PNG generation, try them – chances are good that they might work. Please also visit our GIF Generator at

6 thoughts on “Create Structure Images from Standard InChIKeys

  1. I mean, even when entered format=xxxx , the picture is still there,
    And when entere the format=png option, t will still save as an GIF…… or am i missing something?

Comments are closed.