Table 3.

List of selected signals from the OPLS model.

Peak δ (ppm)	Multiplicity	OPLS weight	variation	Assigned metabolite
2.01	Singlet	0.49	↑	Composite glycoprotein
2.04	Singlet	0.48	↑	Composite glycoprotein
2.66	Multiplet	0.69	↑	Unassigned
3.56	Doublet of doublets	0.64	↑	Glycerol
3.64	Doublet of doublets	0.52	↑	Glycerol
7.33	Multiplet	0.46	↑	Phenylalanine
7.38	Multiplet	0.45	↑	Phenylalanine
7.43	Multiplet	0.49	↑	Phenylalanine

Reported peaks showed an OPLS weight > 0.4. The OPLS weight value represent the R^2 for each metabolites.