Taxonomy-Focused Natural Product Databases for Carbon-13 NMR-Based Dereplication
نویسندگان
چکیده
The recent revival of the study organic natural products as renewable sources medicinal drugs, cosmetics, dyes, and materials motivated creation general purpose structural databases. Dereplication, efficient identification already reported compounds, relies on grouping structural, taxonomic spectroscopic databases that focus a particular taxon (species, genus, family, order, etc.). A set freely available python scripts, CNMR_Predict, is proposed for quick supplementation oriented search results from naturaL prOducTs occUrrences database (LOTUS, lotus.naturalproducts.net) with predicted carbon-13 nuclear magnetic resonance data ACD/Labs CNMR predictor DB software (acdlabs.com) to provide easily searchable construction process illustrated using Brassica rapa example.
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ژورنال
عنوان ژورنال: Analytica
سال: 2021
ISSN: ['2673-4532']
DOI: https://doi.org/10.3390/analytica2030006