AntiBase 2007 Upgrade : The Natural Compound Identifier

The data in "AntiBase" have been collected from the primary and secondary literature and then carefully checked and validated. "AntiBase" includes descriptive data (molecular formula and mass, elemental composition, CAS registry number); physico-chemical data (melting point, optical rotation); spectroscopic data (UV, 13C-NMR, IR and mass spectra); biological data (pharmacological activity, toxicity); information on origin and isolation and a summary of literature sources.

The total number of occupied database fields is about 400,000.

A unique feature of "AntiBase" is the use of predicted 13C-NMR spectra for those compounds where no measured spectra are available.

These spectra have been produced using the spectrum prediction program SpecInfo.

Calculated high resolution molecular masses are included.