WWMM Web Services

<html> <head><script type="text/javascript" src="/_static/js/bundle-playback.js?v=HxkREWBo" charset="utf-8"></script> <script type="text/javascript" src="/_static/js/wombat.js?v=txqj7nKC" charset="utf-8"></script> <script>window.RufflePlayer=window.RufflePlayer||{};window.RufflePlayer.config={"autoplay":"on","unmuteOverlay":"hidden"};</script> <script type="text/javascript" src="/_static/js/ruffle/ruffle.js"></script> <script type="text/javascript"> __wm.init("https://web.archive.org/web"); __wm.wombat("http://wwmm-svc.ch.cam.ac.uk:80/wwmm/html/inchiserver.html","20100801025932","https://web.archive.org/","web","/_static/", "1280631572"); </script> <link rel="stylesheet" type="text/css" href="/_static/css/banner-styles.css?v=S1zqJCYt" /> <link rel="stylesheet" type="text/css" href="/_static/css/iconochive.css?v=3PDvdIFv" />  <title>WWMM Web Services</title> <meta http-equiv="Content-Type" content="text/html; charset=utf-8"> <meta name="keywords" content=""> <meta http-equiv="Pragma" content="no-cache"> <link type="text/css" href="/web/20100801025932cs_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/css/default.css" rel="stylesheet"> </head> <body>  <table class="header" border="0" cellpadding="0" cellspacing="0" width="100%"><tbody>  <tr><td valign="top" width="">  <table cellpadding="0" cellspacing="0" width="100%"><tbody><tr> <td valign="top" width="">  <table cellpadding="0" cellspacing="2" width="100%"><tbody> <tr><td valign="top" width="100%"><div style="background: rgb(214, 214, 214) none repeat scroll 0%; -moz-background-clip: initial; -moz-background-origin: initial; -moz-background-inline-policy: initial; color: rgb(0, 121, 184); font-family: arial; font-size: 28px; padding-left: 5px; padding-top: 5px; padding-bottom: 20px;"> <div id="page-logo">  World Wide Molecular Matrix </div> </div> </td></tr> </tbody></table>  </td> </tr></tbody></table>  </td> </tr>  </tbody></table>   <table border="0" cellpadding="0" cellspacing="0" width="100%"><tbody><tr> <td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-left.gif" alt="tab inactive left border"></td><td background="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-middle.gif" height="24" nowrap="nowrap"><a class="tab-menu" href="index.html"> Home </a></td><td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-right.gif" alt="tab inactive right border"></td> <td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-active-left.gif" alt="tab active left border"></td><td background="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-active-middle.gif" height="24" nowrap="nowrap"><span class="tab-active"> InChI </span></td><td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-active-right.gif" alt="tab active right border"></td> <td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-left.gif" alt="tab inactive left border"></td><td background="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-middle.gif" height="24" nowrap="nowrap"><a class="tab-menu" href="cmlrssserver.html"> CMLRSS </a></td><td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-right.gif" alt="tab inactive right border"></td> <td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-left.gif" alt="tab inactive left border"></td><td background="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-middle.gif" height="24" nowrap="nowrap"><a class="tab-menu" href="observer.html"> OpenBabel </a></td><td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-right.gif" alt="tab inactive right border"></td> <td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-left.gif" alt="tab inactive left border"></td><td background="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-middle.gif" height="24" nowrap="nowrap"><a class="tab-menu" href="cif2cmlserver.html"> CIF2CML </a></td><td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-right.gif" alt="tab inactive right border"></td> <td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-left.gif" alt="tab inactive left border"></td><td background="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-middle.gif" height="24" nowrap="nowrap"><a class="tab-menu" href="jumboserver.html"> JUMBO Tools </a></td><td height="24" width="6"><img src="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/tab-inactive-right.gif" alt="tab inactive right border"></td> <td class="tab-fillup"> </td></tr></tbody></table>  <table class="tab-sub-pane" border="0" cellpadding="0" cellspacing="0" width="100%"><tbody><tr><td><table border="0" cellpadding="0" cellspacing="0"><tbody><tr>  <td background="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/subtab-middle.gif" height="24" nowrap="nowrap"><span class="tab-sub-active"><a class="tab-sub-menu-active" href="inchiserver.html"> Generate InChI </a></span></td> <td background="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/subtab-middle.gif" height="24" nowrap="nowrap"><span class="tab-sub-inactive"><a class="tab-sub-menu" href="googleinchiserver.html"> Google-InChI </a></span></td> </tr></tbody></table></td><td style="width: 100%;" background="/web/20100801025932im_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/images/subtab-middle.gif"> </td></tr></tbody></table>  <table border="0" cellpadding="0" cellspacing="0" width="100%"><tbody> <script src="/web/20100801025932js_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/javascript/counter.js"></script> <script language="JavaScript" src="/web/20100801025932js_/http://wwmm-svc.ch.cam.ac.uk/wwmm/html/javascript/getData.js"></script> <table cellpadding="25"> <tr> <td> <table> <tr> <td> <table wide="0"><tr><td><h2>InChI Server</h2></td><td>(<script>document.write("Used: <b>" + inchiserver + "</b>")</script> times)</td></tr></table> <form name="GenerateINChI" action="/web/20100801025932/http://wwmm-svc.ch.cam.ac.uk/wwmm/InChIServerServlet" method="POST" style="padding-left: 32px; padding-top: 16px;"> InChI version: <select name="inchiVersion"> <option value="1">1</option> </select> Input type: <select name="inputFormat"> <option value="mol">mol</option> <option value="sdf">sdf</option> <option value="cml">cml</option> </select> <br/><br/> Input Data: <input type="button" value="Upload" onclick="launchuploadfromfile();"/> <input type="button" value="Fetch" onclick="launchfetchfromurl();"/> <input type="button" value="Create" onclick="launchcreatefrommarvin();"/><br/> <textarea name="inputData" cols="60" rows="20"> NSC1 ccorina 04030319103D 1 1.00000 0.00000 CORINA 2.61 0041 25.10.2001 15 15 0 0 0 0 0 0 0 0 1 V2000 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 5.2414 0.0323 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0144 1.2102 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 1.9312 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 1.9661 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3215 3.2712 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 3.3061 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 4.0271 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.1600 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1971 1.4389 -0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2641 3.7984 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1643 3.8588 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3843 0.0912 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1608 1.4105 0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 1.4206 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 M END </textarea> <br/> <br/> <input class="submit" name="Generate" type="submit" value="Generate InChI"/> </form> </td> <td> <p>If you have not already done so, see <a href="https://web.archive.org/web/20100801025932/http://wwmm.ch.cam.ac.uk/moin/WWMMPortalInstructions">here</a> for an explanation of how to input information into the text box on the left.</p> <p>To generate an InChI, simply enter the desired connection table (in the form of either a CML, Mol or SDF file) into the textbox on the left, select the type of file you have entered from the 'Input type' drop-down list and then click on the 'Generate InChI' button. You will be sent to another page with a text box containing the InChI generated from your input information along with its Auxiliary info.</p> <p>If you wish to learn more about InChIs, visit our FAQ at <a href="https://web.archive.org/web/20100801025932/http://wwmm.ch.cam.ac.uk/inchifaq/index.html">http://wwmm.ch.cam.ac.uk/inchifaq/index.html</a>.</p> </td> </tr> </table> </td> </tr> </table>  </tbody></table>   <table class="footer" border="0" cellpadding="0" cellspacing="0" width="100%"><tbody>  <tr><td valign="top" width="">  <table cellpadding="0" cellspacing="0" width="100%"><tbody><tr> <td valign="top" width="">  <table cellpadding="0" cellspacing="2" width="100%"><tbody> <tr><td valign="top" width="100%"><div style="color: rgb(51, 51, 51); font-family: lucida,helvetica,arial; font-size: 28px; padding-left: 5px; padding-top: 5px; padding-bottom: 5px;"> <table border="0" cellpadding="0" cellspacing="0" height="100%" width="100%"> <tbody><tr> <td align="right" valign="top" width="*"> <div style="color: #333333; font-family: lucida, helvetica, arial; font-size: 12px; padding-left: 5px; padding-top: 5px; padding-bottom: 5px"> <table width="100%" height="100%" cellspacing="0" cellpadding="0" border="0"> <tr> <td valign="top" align="right" width="*"> Contact: Nick Day (<a href="ned24@cam.ac.uk">ned24@cam.ac.uk</a>)<br/> Unilever Centre for Molecular Informatics,<br/> Chemistry Department, University of Cambridge, CB2 1EW, UK</td> </tr> </table> </div> </td> </tr> </tbody></table> </div> </td></tr> </tbody></table>  </td> </tr></tbody></table>  </td> </tr>  </tbody></table>  </body></html>

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WWMM Web Services