S75 | CyanoMetDB | Comprehensive database of secondary metabolites from cyanobacteria

This is the collection associated with list S75 CyanoMetDB Comprehensive database of secondary metabolites from cyanobacteria on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ CyanoMetDB is a comprehensive database of secondary metabolites from cyanobacteria manually curated from primary references described in Jones et al (2021), DOI: 10.1016/j.watres.2021.117017 (preprint DOI: 10.1101/2020.04.16.038703) Contents: Original database: CyanoMetDB_WR_Feb2021.csv and CyanoMetDB_WR_Feb2021.xlsx Reference information (only) expanding Ref entries in database: CyanoMetDB_References_v02_WR_Feb2021.csv and CyanoMetDB_References_v02_WR_Feb2021.xlsx MetFrag local CSV file (original database abridged and reformatted for use in MetFrag): CyanoMetDB_MetFrag_Feb2021.csv Additional files for matching InChIKeys (rapid suspect flagging): CyanoMetDB_v02_InChIKeys.txt DTXSIDs for CompTox LIST use only: CyanoMetDB_v02_DTXSIDs.txt Changes in versions are documented in the changelog file: CyanoMetDB_WR_changelog.txt NOTE: several "names" fields contain special characters, please use CSV name column entries with caution (refer to "*_CSV columns for plain text forms). Original entries with special characters are in the respective XLSX files.