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. 2019 Jul 4;17(7):395. doi: 10.3390/md17070395

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© 2019 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 (http://creativecommons.org/licenses/by/4.0/).

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Manual annotation of molecular families MN_3,4 by formula searching in online Dictionary of Natural Products (DNP, V27.2). The molecular formulae were predicted using "SmartFormula" function built in DataAnalysis software with m/z tolerance below 3 ppm. The predicted formulae represent [M + H]⁺ or [M + Na]⁺. Molecular formula in red indicates that there is only one hit matched in DNP, and new potential analogues are indicated with blue circles. The number of the hits matching to known formulae is presented under the predicted molecular formula.