2026-10-11T00:41:49Z https://www.scidb.cn/oai

10.57760/sciencedb.35582 2026-01-15T14:57:57Z

2026-01-15 Natural Source Small Molecule Characterization Database Based on HMBC Coupling Patterns doi:10.57760/sciencedb.35582 en This dataset contains quantitative nuclear magnetic resonance (NMR) hydrogen spectra of small molecules derived from traditional Chinese medicine sources such as Codonopsis pilosula and Panax notoginseng, as well as HMBC (Heteronuclear Multiple Bond Correlation) digital coupling mode data generated based on chemical shifts in hydrogen and carbon spectra. The data covers two types of experimental measurements and algorithm predictions, as well as three key related signals. Through systematic digital characterization of nuclear magnetic resonance spectra and coupling relationships, this dataset supports cross platform comparison and analysis of chemical components under different magnetic field strengths, and is suitable for synchronous and high-resolution chemical characterization research of multiple components in complex traditional Chinese medicine systems.  Natural products; HMBC; Quantitative NMR (qNMR); Digital component characterization Yu Tang PUBLIC https://creativecommons.org/licenses/by-nc-nd/4.0/ dataset Science Data Bank