Figure 3.

Selected clusters (MN₁–MN₅) from the statistically informed molecular network. VIP values greater than 1 (represented in red in the VIP plot) from the O2PLS model were integrated into the molecular network and can be visualized through the node size. Larger nodes indicate features with VIP values greater than 1. Dotted line boxes indicate putatively annotated compounds (ISDB-DNP in silico annotations), and full lines indicate dereplicated compounds for which identity was confirmed by comparing the spectroscopic data with compounds isolated from Myrcia bella. Green, orange, or purple colors indicate the chemical classes of the compounds. Flavonoid, tannin, and carboxylic acid chemical class clusters with representative structures are depicted.