| Literature DB >> 11754607 |
J Bradshaw1, D Butina, A J Dunn, R H Green, M Hajek, M M Jones, J C Lindon, P J Sidebottom.
Abstract
A new approach to the use of commercial databases for the dereplication of purified natural products has been developed. This is based on searching a text file that links each structure with its molecular weight and an exact count of the number of methyl, methylene, and methine groups it contains. Analysis of such a text file, constructed from a database containing more than 126,000 natural product structures, revealed that these data, readily measured using MS and NMR spectroscopy, are highly discriminating. The identification of an alkaloid and a sesquiterpene using this new approach is described.Entities:
Mesh:
Substances:
Year: 2001 PMID: 11754607 DOI: 10.1021/np010284g
Source DB: PubMed Journal: J Nat Prod ISSN: 0163-3864 Impact factor: 4.050