InChI
Click here for a complete list of operations.
InChIKeyToMol
Convert InChIKey to MOL. Internally searches InChIKey against ChemSpider database.
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: www.chemspider.com
Content-Type: text/xml; charset=utf-8
Content-Length: length
SOAPAction: "http://www.chemspider.com/InChIKeyToMol"
<?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>
<InChIKeyToMol xmlns="http://www.chemspider.com/">
<inchi_key>string</inchi_key>
</InChIKeyToMol>
</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>
<InChIKeyToMolResponse xmlns="http://www.chemspider.com/">
<InChIKeyToMolResult>string</InChIKeyToMolResult>
</InChIKeyToMolResponse>
</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: www.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>
<InChIKeyToMol xmlns="http://www.chemspider.com/">
<inchi_key>string</inchi_key>
</InChIKeyToMol>
</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>
<InChIKeyToMolResponse xmlns="http://www.chemspider.com/">
<InChIKeyToMolResult>string</InChIKeyToMolResult>
</InChIKeyToMolResponse>
</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/InChIKeyToMol?inchi_key=string HTTP/1.1 Host: www.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/InChIKeyToMol HTTP/1.1 Host: www.chemspider.com Content-Type: application/x-www-form-urlencoded Content-Length: length inchi_key=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>