Computer-Assisted Structure Elucidation (CASE) for organic natural products using NMR spectroscopy. Use when the user asks to identify an unknown compound from NMR data, perform structure elucidation, analyze HSQC/HMBC/DEPT/COSY spectra, run dereplication against natural product databases (COCONUT, NMRShiftDB), rank candidate structures by 13C prediction, or determine molecular structure from Bruker NMR data. Requires molecular formula and Bruker-format NMR spectra. The AI agent applies domain intelligence via thin CLI commands through the Bash tool.
Install directly with the `skills` CLI.
npx skills add steinbeck/lucy-ng/skillSelect a file to view its content