COCONUT Database Dumps

The COCONUT offers extensive data on natural products, updated monthly and hosted on Zenodo. These dumps include curated and annotated information about small molecules extracted from natural sources, aiding in research across drug discovery, mass spectrometry, and more.

Overview

• Location: COCONUT Database on Zenodo
• Frequency: Monthly updates
• Versioning: Each dataset is versioned for easy access to historical data
• File Formats: Available in multiple formats for broad compatibility
• Citation: Please cite the dataset using its DOI: 10.5281/zenodo.13382751

Available Datasets

Postgres Database Dump

Complete database dump containing all tables including molecules, collections, citations, and more.

CSV Format Files

• Lite Format: Essential molecular information (identifiers, structures, properties)
• Full Format: Complete dataset including organisms, collections, DOIs, and CAS numbers

SDF (Structure-Data File) Format

• 2D Coordinate Files: Available in lite and full versions
• 3D Coordinate Files: Molecular structures with 3D coordinates

Collection-Specific Downloads

Individual collection SDF downloads containing 2D coordinates and comprehensive molecular data.

For more details, click here