ChemSpider record layout

Every record in ChemSpider is based on a unique discrete structure. We can then associate lots of different types of relevant data with the structure. The header of the record contains basic identifiers and intrinsic properties eg. Molecular formula and Molecular weight. This data is displayed as the first part of the record as shown below.

The remaining data in the record is separated in a number of tabs. Initially the Names and Identifiers tab is displayed, and the most frequently used tabs are at the top. Other tabs containing important but more specialised data can be found under the “More” drop-down menu.

The following screenshot is of the Data Sources section, one of the most important features of ChemSpider. The section displays the various sources of the data for the record, and is a gateway to useful data that is not stored within the ChemSpider record itself. The sub-tabs allow you to see filtered views of the data sources so that you can identify the most useful resources for the question that you are trying to answer.