OPLS-DA (A) scores plot and SUS plots (B, C) for the multivariate statistical analysis.

<p>The OPLS-DA (orthogonal partial least square discriminant analysis) scores plot (A) shows clustering of the metabolite profiles for control, formula and treated samples, indicating good models with strong separation. SUS (Shared and Unique Structures) plots constructed for VIP (variable influence on projection) (B) and p(corr) values (C) show significant metabolites and metabolite correlation, respectively, with shared features. VIP and p(corr) values from formula and control samples were compared with those from treated samples. The diagonally aligned metabolites (highlighted with an ellipse) in both the plots show the similarity between the control and formula OPLS profiles indicating that the metabolic effects are mainly due to 2,4-D rather than other formulation components.