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. 2019 Jul 31;9:11113. doi: 10.1038/s41598-019-47434-8

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Identification of LTT features which correlate positively or negatively with STS inhibition (see Fig. S3 for zoomed area). (A) NMR pseudo-spectrum showing the heterocovariance (HetCA) of ¹H NMR spectra and STS inhibition data of selected fractions FP01_13 to _15. The colour code is based on the correlation coefficient: blue = negatively correlated with STS inhibition; red = positively correlated with STS inhibition. (B) Statistical total correlation spectroscopy (STOCSY) plot. The signal at δ_H 5.12 was chosen to obtain the information which molecule(s) share this “hot” feature. The plot is colour coded based on the correlation coefficient: blue = signals belonging to molecule(s) that do not have the signal at δ_H 5.12; red = signals belonging to molecule(s) that have the signal at δ_H 5.12. (C,D) ¹H NMR spectra of isolated active compounds 1 and 2, respectively.