InChI
Click here for a complete list of operations.
MolToInChIKey
Convert MOL to InChIKey. Result is v1.02s InChIKey.
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: onschallenge.chemspider.com Content-Type: text/xml; charset=utf-8 Content-Length: length SOAPAction: "http://www.chemspider.com/MolToInChIKey" <?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> <MolToInChIKey xmlns="http://www.chemspider.com/"> <mol>string</mol> </MolToInChIKey> </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> <MolToInChIKeyResponse xmlns="http://www.chemspider.com/"> <MolToInChIKeyResult>string</MolToInChIKeyResult> </MolToInChIKeyResponse> </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: onschallenge.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> <MolToInChIKey xmlns="http://www.chemspider.com/"> <mol>string</mol> </MolToInChIKey> </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> <MolToInChIKeyResponse xmlns="http://www.chemspider.com/"> <MolToInChIKeyResult>string</MolToInChIKeyResult> </MolToInChIKeyResponse> </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/MolToInChIKey?mol=string HTTP/1.1 Host: onschallenge.chemspider.com
HTTP/1.1 200 OK Content-Type: text/xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <string xmlns="http://www.chemspider.com/">string</string>
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/MolToInChIKey HTTP/1.1 Host: onschallenge.chemspider.com Content-Type: application/x-www-form-urlencoded Content-Length: length mol=string
HTTP/1.1 200 OK Content-Type: text/xml; charset=utf-8 Content-Length: length <?xml version="1.0" encoding="utf-8"?> <string xmlns="http://www.chemspider.com/">string</string>