InChI
Click here for a complete list of operations.
ResolveInChIKey
Resolves InChIKey against ChemSpider database and returns result as specified by out_format parameter.
Test
To test the operation using the HTTP POST protocol, click the 'Invoke' button.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: chemspider.com Content-Type: text/xml; charset=utf-8 Content-Length: length SOAPAction: "http://www.chemspider.com/ResolveInChIKey" <?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> <ResolveInChIKey xmlns="http://www.chemspider.com/"> <inchi_key>string</inchi_key> <out_format>MOL or SDF or SMILES or InChI</out_format> </ResolveInChIKey> </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> <ResolveInChIKeyResponse xmlns="http://www.chemspider.com/"> <ResolveInChIKeyResult> <string>string</string> <string>string</string> </ResolveInChIKeyResult> </ResolveInChIKeyResponse> </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: 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> <ResolveInChIKey xmlns="http://www.chemspider.com/"> <inchi_key>string</inchi_key> <out_format>MOL or SDF or SMILES or InChI</out_format> </ResolveInChIKey> </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> <ResolveInChIKeyResponse xmlns="http://www.chemspider.com/"> <ResolveInChIKeyResult> <string>string</string> <string>string</string> </ResolveInChIKeyResult> </ResolveInChIKeyResponse> </soap12:Body> </soap12:Envelope>
HTTP GET
The following is a sample HTTP GET request and response. The placeholders shown need to be replaced with actual values.
GET /InChI.asmx/ResolveInChIKey?inchi_key=string&out_format=string HTTP/1.1 Host: chemspider.com
HTTP/1.1 200 OK Content-Type: text/xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <ArrayOfString xmlns="http://www.chemspider.com/"> <string>string</string> <string>string</string> </ArrayOfString>
HTTP POST
The following is a sample HTTP POST request and response. The placeholders shown need to be replaced with actual values.
POST /InChI.asmx/ResolveInChIKey HTTP/1.1 Host: chemspider.com Content-Type: application/x-www-form-urlencoded Content-Length: length inchi_key=string&out_format=string
HTTP/1.1 200 OK Content-Type: text/xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <ArrayOfString xmlns="http://www.chemspider.com/"> <string>string</string> <string>string</string> </ArrayOfString>