InChI
Click here for a complete list of operations.
GenerateInChI
Generates InChI from structure provided in format defined by format parameter.
Test
The test form is only available for requests from the local machine.SOAP 1.1
The following is a sample SOAP 1.1 request and response. The placeholders shown need to be replaced with actual values.
POST /InChI.asmx HTTP/1.1 Host: pharmasea.chemspider.com Content-Type: text/xml; charset=utf-8 Content-Length: length SOAPAction: "http://www.chemspider.com/GenerateInChI" <?xml version="1.0" encoding="utf-8"?> <soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/"> <soap:Body> <GenerateInChI xmlns="http://www.chemspider.com/"> <str>string</str> <format>MOL or SDF or SMILES or InChI</format> <flags> <version>v102b or v102s or v103 or v104</version> <stereo>No or Absolute or Relative or Racemic</stereo> <fixedH>boolean</fixedH> </flags> </GenerateInChI> </soap:Body> </soap:Envelope>
HTTP/1.1 200 OK Content-Type: text/xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/"> <soap:Body> <GenerateInChIResponse xmlns="http://www.chemspider.com/"> <GenerateInChIResult>string</GenerateInChIResult> </GenerateInChIResponse> </soap:Body> </soap:Envelope>
SOAP 1.2
The following is a sample SOAP 1.2 request and response. The placeholders shown need to be replaced with actual values.
POST /InChI.asmx HTTP/1.1 Host: pharmasea.chemspider.com Content-Type: application/soap+xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope"> <soap12:Body> <GenerateInChI xmlns="http://www.chemspider.com/"> <str>string</str> <format>MOL or SDF or SMILES or InChI</format> <flags> <version>v102b or v102s or v103 or v104</version> <stereo>No or Absolute or Relative or Racemic</stereo> <fixedH>boolean</fixedH> </flags> </GenerateInChI> </soap12:Body> </soap12:Envelope>
HTTP/1.1 200 OK Content-Type: application/soap+xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope"> <soap12:Body> <GenerateInChIResponse xmlns="http://www.chemspider.com/"> <GenerateInChIResult>string</GenerateInChIResult> </GenerateInChIResponse> </soap12:Body> </soap12:Envelope>