For many years, we been an advocate of ODOSOS (Open Data, Open Source, Open Science). We have been creating datasets which we are now making available on this page. We try to make sure that our data is deposited on long-term supported and community-accepted archives.

NMReData Initative

We are a member of the NMReData Initiative supporting a light-weight data format to report NMR data, structures and assignments for small molecules in articles.

Metabolomics Data

We deposit metabolomics data in MetaboLights – a global archive for metabolomics which we conceived and developed during our time at the European Bioinformatics Institute (EMBL-EBI).

• With our collaborator at the time in Syngenta, we published a metabolomics dataset MTBLS38 on tomato ripening deposited inMetaboLights. The dataset is additionally described in ^[1]

Computer-Assisted Structure Elucidation (CASE) data

•  An LSD input file for the computer-assisted structure elucidation of compound number 14 from Liu R, Su Y, Yang J, Wang A (2017) Polyprenylated acylphloroglucinols from Hypericum scabrum. Phytochemistry 142:38–50. doi: 10.1016/j.phytochem.2017.06.011

Spectroscopic Data

 

Structural Data

 

References

1. Beisken, Stephan and Earll, Mark and Baxter, Charles and Portwood, David and Ament, Zsuzsanna and Kende, Aniko and Hodgman, Charlie and Seymour, Graham and Smith, Rebecca and Fraser, Paul and Seymour, Mark and Salek, Reza M and Steinbeck, Christoph (2014): Metabolic differences in ripening of Solanum lycopersicum textquoteleftAilsa Craigtextquoteright and three monogenic mutants. In: Scientific Data, vol. 1, pp. 140029, 2014.