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Structure Databases

Search Wiley AntiBase via Our Software

Structure Databases Overview

Search AntiBase: The Natural Compound Identifier (from Wiley) via ACD/Labs proprietary software format.

AntiBase is a comprehensive compilation of natural products featuring properties of over 43,000 compounds. It provides researchers with a convenient way of checking if a compound with antimicrobial effects has already been studied, and provides insights into biological activity correlated to structural information.

The database is an indispensable tool for emerging genomic and metabolomic research, as antimicrobial activity is a key feature in translational and precision medicine.

This library compares published data from literature with experimental values from the user.

AntiBase includes:
  • Compound properties: molecular formula, mass, elemental composition, compound class, and geo-location
  • Physicochemical data: melting point, and optical rotation
  • Spectroscopic data: IR, HRMS, mass spectra, UV, plus high-quality predicted 13C NMR data generated using Wiley’s proprietary NMR spectrum prediction algorithm

Data have been collected from the primary and secondary literature, then carefully checked and validated with key references and source information provided as a data field.

  • Natural product compounds: 43,743
  • Chemical structures: 41,052
  • C-NMR spectral data: 40,769
  • IR spectral data: 2,098
  • Compound classification data: 10,227
  • Source/origin data: 41,307
  • H-NMR spectral data: 629
  • HRMS values for ion types (-H,+H,+Na): 41,048
  • Optical rotation (OR) values: 7,119
  • Melting point data: 5,566

AntiBase v2017 is available in ACD/Labs proprietary format (*.cfd). Read complete information about AntiBase on the Wiley web site.

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