Exported Inchi values from a mol structure doesn't give the same structure

JChemPaint / jchempaint

Chemical 2D structure editor application/applet based on the Chemistry Development Kit

http://jchempaint.github.com

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Exported Inchi values from a mol structure doesn't give the same structure #174

Open iminchole opened 11 years ago

iminchole commented 11 years ago

Today I was working on how to load structures from Inchi data and found this. If I load the mol structure of HMDB13122 (obtained from HMDB web site) and export to InchI file, when I load this file, the resulting structure is not the same as the obtained with the mol file.

Thank you very much.