Get_extended_compound_informationchemspiderId00 ChemSpider identifier for a chemical compound 2010-07-12 10:01:41.326 BST 682 2010-07-12 10:01:48.64 BST securityToken00 A chemspider security token. 2010-07-12 10:02:08.719 BST A chemspider security token. A token is obtained by completing the chemspider registration process at http://www.chemspider.com/Register.aspx and visiting your profile page. 2010-07-12 10:05:38.921 BST A chemspider security token. A token is obtained by completing the chemspider registration process and visiting your profile page. 2010-07-12 10:03:41.608 BST ALogPaverageMasscommonNamechemspiderIdInChiInChiKeymfmolWeightmonoisotopicMassnominalMasssmilesXLogPGetExtendedCompoundInfoparameters0parameters00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.WSDLActivity http://www.chemspider.com/MassSpecAPI.asmx?WSDL GetExtendedCompoundInfo net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGetExtendedCompoundInfo_inputCSID0token0output00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLInputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="GetExtendedCompoundInfo" name="parameters" qname="{http://www.chemspider.com/}GetExtendedCompoundInfo"><s:elements><s:basetype optional="false" unbounded="false" typename="int" name="CSID" qname="{http://www.chemspider.com/}&gt;GetExtendedCompoundInfo&gt;CSID" /><s:basetype optional="true" unbounded="false" typename="string" name="token" qname="{http://www.chemspider.com/}&gt;GetExtendedCompoundInfo&gt;token" /></s:elements></s:complextype></s:extensions> false CSID 0 'text/plain' false token 0 'text/plain' 0 output 0 'text/xml' net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGetExtendedCompoundInfo_outputinput0GetExtendedCompoundInfoResult00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLOutputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="GetExtendedCompoundInfoResponse" name="parameters" qname="{http://www.chemspider.com/}GetExtendedCompoundInfoResponse"><s:elements><s:complextype optional="false" unbounded="false" typename="ExtendedCompoundInfo" name="GetExtendedCompoundInfoResult" qname="{http://www.chemspider.com/}&gt;GetExtendedCompoundInfoResponse&gt;GetExtendedCompoundInfoResult"><s:elements><s:basetype optional="false" unbounded="false" typename="int" name="CSID" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CSID" /><s:basetype optional="true" unbounded="false" typename="string" name="MF" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MF" /><s:basetype optional="true" unbounded="false" typename="string" name="SMILES" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;SMILES" /><s:basetype optional="true" unbounded="false" typename="string" name="InChI" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChI" /><s:basetype optional="true" unbounded="false" typename="string" name="InChIKey" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChIKey" /><s:basetype optional="false" unbounded="false" typename="double" name="AverageMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;AverageMass" /><s:basetype optional="false" unbounded="false" typename="double" name="MolecularWeight" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MolecularWeight" /><s:basetype optional="false" unbounded="false" typename="double" name="MonoisotopicMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MonoisotopicMass" /><s:basetype optional="false" unbounded="false" typename="double" name="NominalMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;NominalMass" /><s:basetype optional="false" unbounded="false" typename="double" name="ALogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;ALogP" /><s:basetype optional="false" unbounded="false" typename="double" name="XLogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;XLogP" /><s:basetype optional="true" unbounded="false" typename="string" name="CommonName" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CommonName" /></s:elements></s:complextype></s:elements></s:complextype></s:extensions> java.lang.String false input 0 'text/xml' 0 GetExtendedCompoundInfoResult 0 'text/xml' net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGetExtendedCompoundInfo_GetExtendedCompoundInfoResultinput0ALogP00AverageMass00CommonName00CSID00InChI00InChIKey00MF00MolecularWeight00MonoisotopicMass00NominalMass00SMILES00XLogP00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLOutputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="ExtendedCompoundInfo" name="GetExtendedCompoundInfoResult" qname="{http://www.chemspider.com/}&gt;GetExtendedCompoundInfoResponse&gt;GetExtendedCompoundInfoResult"><s:elements><s:basetype optional="false" unbounded="false" typename="int" name="CSID" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CSID" /><s:basetype optional="true" unbounded="false" typename="string" name="MF" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MF" /><s:basetype optional="true" unbounded="false" typename="string" name="SMILES" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;SMILES" /><s:basetype optional="true" unbounded="false" typename="string" name="InChI" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChI" /><s:basetype optional="true" unbounded="false" typename="string" name="InChIKey" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChIKey" /><s:basetype optional="false" unbounded="false" typename="double" name="AverageMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;AverageMass" /><s:basetype optional="false" unbounded="false" typename="double" name="MolecularWeight" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MolecularWeight" /><s:basetype optional="false" unbounded="false" typename="double" name="MonoisotopicMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MonoisotopicMass" /><s:basetype optional="false" unbounded="false" typename="double" name="NominalMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;NominalMass" /><s:basetype optional="false" unbounded="false" typename="double" name="ALogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;ALogP" /><s:basetype optional="false" unbounded="false" typename="double" name="XLogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;XLogP" /><s:basetype optional="true" unbounded="false" typename="string" name="CommonName" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CommonName" /></s:elements></s:complextype></s:extensions> java.lang.String false input 0 'text/xml' 0 CSID 0 'text/plain' 0 MF 0 'text/plain' 0 SMILES 0 'text/plain' 0 InChI 0 'text/plain' 0 InChIKey 0 'text/plain' 0 AverageMass 0 'text/plain' 0 MolecularWeight 0 'text/plain' 0 MonoisotopicMass 0 'text/plain' 0 NominalMass 0 'text/plain' 0 ALogP 0 'text/plain' 0 XLogP 0 'text/plain' 0 CommonName 0 'text/plain' net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGetExtendedCompoundInfoparametersGetExtendedCompoundInfo_inputoutputGetExtendedCompoundInfo_inputCSIDchemspiderIdGetExtendedCompoundInfo_inputtokensecurityTokenGetExtendedCompoundInfo_outputinputGetExtendedCompoundInfoparametersGetExtendedCompoundInfo_GetExtendedCompoundInfoResultinputGetExtendedCompoundInfo_outputGetExtendedCompoundInfoResultALogPGetExtendedCompoundInfo_GetExtendedCompoundInfoResultALogPaverageMassGetExtendedCompoundInfo_GetExtendedCompoundInfoResultAverageMasscommonNameGetExtendedCompoundInfo_GetExtendedCompoundInfoResultCommonNamechemspiderIdGetExtendedCompoundInfo_GetExtendedCompoundInfoResultCSIDInChiGetExtendedCompoundInfo_GetExtendedCompoundInfoResultInChIInChiKeyGetExtendedCompoundInfo_GetExtendedCompoundInfoResultInChIKeymfGetExtendedCompoundInfo_GetExtendedCompoundInfoResultMFmolWeightGetExtendedCompoundInfo_GetExtendedCompoundInfoResultMolecularWeightmonoisotopicMassGetExtendedCompoundInfo_GetExtendedCompoundInfoResultMonoisotopicMassnominalMassGetExtendedCompoundInfo_GetExtendedCompoundInfoResultNominalMasssmilesGetExtendedCompoundInfo_GetExtendedCompoundInfoResultSMILESXLogPGetExtendedCompoundInfo_GetExtendedCompoundInfoResultXLogP f8f82806-a20f-49cf-94f1-a3b308664da0 2010-07-12 10:05:40.454 BST d72d271a-5453-45c1-a73d-b5732c9a722b 2010-07-12 10:03:54.360 BST Returns information from chemspider for a given chemical represented by its chemspider identifier 2010-07-12 10:01:16.113 BST c795cf97-332d-4340-a8eb-0a1252489dc5 2010-07-12 09:59:49.579 BST Peter Li 2010-07-12 10:00:30.66 BST Get extended compound information 2010-07-12 10:00:40.273 BST