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. 2014 Apr 15;53(24):6070–6074. doi: 10.1002/anie.201402239

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© 2014 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution Non-Commercial NoDerivs License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non-commercial and no modifications or adaptations are made.

© 2014 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution Non-Commercial NoDerivs License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non-commercial and no modifications or adaptations are made.

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Summary of the ¹H NMR-guided workflow. The ¹H NMR fingerprints of the LLE fraction showed simplified, non-overlapping spectra which allowed the minor components of the metabolome to be detected. A dataset of 220 fractions was manually examined for the presence of unusual, non-repeating NMR resonance signals. Five fractions were identified as unique based on the spectral regions highlighted in red and blue rectangles.