From: Nina J. <jel...@gm...> - 2010-11-09 08:13:12
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Hello All, Attemping to parse this InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2 via org.openscience.cdk.inchi.InChIToStructure (latest stdinchi ) fails with an error: Aux. info suppressed Input format: InChI (plain identifier) Output format: Plain text No timeout; Up to 1024 atoms per structure Structure: 1 Syntax error (-2) in MOBILE_H (2) Further observations: 1) OpenBabel also have troubles parsing this string. 2) http://rdf.openmolecules.net/?InChI=1S/C6H8O6/c7-1-2%288%295-3%289%294%2810%296%2811%2912-5/h2 links to water (which is obviously wrong) 3) ChemSpider seems to be the only site (among I've tested ) which succeeds in finding the compound Am I missing something? Is this a known issue ? Best regards, Nina |