The metabolite patterns of Geum reptans, G. montanum, G. bulgaricum, and G. bulgaricum × G. reptans were studied by GC-MS and NIRS. More than 120 compounds have been detected, including many bioactive phenolic compounds, such as arbutine, hydroxycinnamic acid, gallic aicd, caffeic acid, etc. PCA of all GC-MS metabolite patterns resulted in discrimination of G. reptans, G. montanum and G. bulgaricum, but not of G. bulgaricum × G. reptans from G. bulgaricum, which was achieved by PCA of NIRS metabolite patterns.
PCA of the metabolite patterns showed that the studied metabolite groups (phenolic acids, organic acids, saccharides, glycerides, fatty acids, fatty alcohols, hydrocarbons, tocoferols and phytosterols) have diverged at different level during speciation and, therefore, they have different chemotaxonomical values.
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