structure-InChI mismatch for MTBLC15489

EBI-Metabolights / MetaboLights

MetaboLights is a database for Metabolomics experiments and derived information. The database is cross-species, cross-technique and covers metabolite structures and their reference spectra as well as their biological roles, locations and concentrations, and experimental data from metabolic experiments.

https://www.ebi.ac.uk/metabolights

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structure-InChI mismatch for MTBLC15489 #17

Open egonw opened 6 years ago

egonw commented 6 years ago

Looking a the following content I note that the chemical formula, InChI and InChIKey cannot be right:

Other fields (name, mass) also need checking

egonw commented 6 years ago

Oh, it seems a bigger issue... also spotted for MTBLC11230 ...

khaug commented 6 years ago

Hi Egon, thank you for your feedback. We are using all external data for this section and are aware of these problems. We are planning to restructure both how we use this data as well as where to get data from.