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Royal Society of Chemistry, Organic and Biomolecular Chemistry, 39(13), p. 9957-9962, 2015

DOI: 10.1039/c5ob01713k

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Dereplication of natural products using minimal NMR data inputs

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

A strategy for the dereplication of a complete and a partial structure using 1H NMR, 1H–13C HSQC and 1H–1H COSY spectral data, a molecular formula composition range and structural fragments against a massive database of about 22 million compounds is considered.