minimalCompData {chemodiv}

Minimal compound dataset

Description

A small dataset with three phytochemical compounds.

Usage

minimalCompData

Format

A data frame with 3 rows and 3 columns. Each row is a phytochemical compound. First column is a common name of the compound, second column is the SMILES (Simplified Molecular-Input Line-Entry System) specification, third column is the InChIKey (International Chemical Identifier).