InChI


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GenerateInChIInfo

Generates InChI, InChIKey and AuxInfo 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: chemspider.com
Content-Type: text/xml; charset=utf-8
Content-Length: length
SOAPAction: "http://www.chemspider.com/GenerateInChIInfo"

<?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>
    <GenerateInChIInfo 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>
    </GenerateInChIInfo>
  </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>
    <GenerateInChIInfoResponse xmlns="http://www.chemspider.com/">
      <GenerateInChIInfoResult>
        <string>string</string>
        <string>string</string>
      </GenerateInChIInfoResult>
    </GenerateInChIInfoResponse>
  </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>
    <GenerateInChIInfo 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>
    </GenerateInChIInfo>
  </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>
    <GenerateInChIInfoResponse xmlns="http://www.chemspider.com/">
      <GenerateInChIInfoResult>
        <string>string</string>
        <string>string</string>
      </GenerateInChIInfoResult>
    </GenerateInChIInfoResponse>
  </soap12:Body>
</soap12:Envelope>