Please send all feedback to development-at-chemspider-dot-comNOTE: Some operations require a "Security Token". To obtain a token please complete the registration process. Security Token is listed at Profile page.
The following operations are supported. For a formal definition, please review the Service Description.
Convert CSID to MOL. Security token is required to get access to this service.
Generates InChI from structure provided in format defined by format parameter.
Generates InChI, InChIKey and AuxInfo from structure provided in format defined by format parameter.
Generates InChIKey from structure provided in format defined by format parameter.
Convert InChIKey to ChemSpider ID.
Convert InChIKey to InChI. Internally searches InChIKey against ChemSpider database.
Convert InChIKey to MOL. Internally searches InChIKey against ChemSpider database.
Convert InChI to ChemSpider ID.
Convert InChI to InChIKey.
Convert InChI to MOL. Uses OpenBabel internally.
Convert InChI to SMILES. Uses OpenBabel internally.
Checks that specified argument is valid InChIKey. Works for v1.02b InChIKey only.
Convert MOL to InChI. Result is v1.02s InChI.
Convert MOL to InChIKey. Result is v1.02s InChIKey.
Resolves InChIKey against ChemSpider database and returns result as specified by out_format parameter.
Convert SMILES to InChI. Result is v1.02s InChI.