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. 2021 Nov 30;14(12):1248. doi: 10.3390/ph14121248

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© 2021 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Predicted metabolites of daturaolone. Online web tool GLORY was used to predict Cytochrome P450 metabolite structures of daturaolone Metabolites structures with probability score (P.S) greater than 0.33 i.e., M1 to M10 were drawn in chemDraw and shown in the figure. P.S assigned by GLORY is based on reaction type to form the respective metabolite, atoms involvement probability in the reaction to form that metabolite and if the nature of reaction is common or not. Aliphatic hydroxylation was the metabolic reaction predicted to form all shown metabolites.