Liu et al Compound 14 LSD data file

An input dataset for the computer-assisted structure elucidation program LSD (logic for structure determination, http://eos.univ-reims.fr/LSD/index_ENG.html) by Jean-Marc Nuzillard, U Reims. <div>The dataset was created following the data reported for compound #14 in</div><div> p.p1 {margin: 0.0px 0.0px 12.0px 20.0px; text-indent: -20.0px; font: 12.0px Helvetica} <p>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</p><p>LSD yields 2 solutions for this dataset. </p></div

A cross-platform format to associate NMR-extracted data (NMReDATA) to chemical structures

Poster presented at EUROMAR Meeting July 201

A cross-platform format to associate NMR-extracted data (NMReDATA) to chemical structures

Poster presented at SMASHNMR meeting Sep 201