Sorry for the confusion, it turns out the user reporting the problem was
copy/pasting incomplete InChIs ... I wish InChI package had less cryptic
error reporting.
Still ChemSpider searching seems to be only one to cope with incomplete
InChI - is it possible with (any) InChI library to achieve something
similar - e.g. extract only a skeleton from available InChI layers ?
Thanks,
Nina
On 9 November 2010 10:13, Nina Jeliazkova <[email protected]> wrote:
> 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
>
>
>
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