The dataset associated with this Dataset Paper includes 3 items, which are described as follows. Dataset Item 1 (Table). Biochemicals, pathway assignment and abundance, original scale. Row 2 indicates the amount of protein found in each sample. Row 3 denotes the contents of the column below. Column 1: Biochemical name. Column 2: Super pathway the biochemical is associated with. Column 3: Sub pathway the biochemical is associated with. Column 4: Compound ID. Column 5: Platform used for the identification of the biochemical (GC/MS, LC/MS positive or LC/MS negative). Column 6: Retention index (RI) associated with the biochemical. Column 7: Mass of species. Column 8: Chemical Abstracts Service (CAS) identifier of the biochemical. Column 9: PubChem identifier of the biochemical. Column 10: KEGG identifier of the biochemical. Column 11: The Human Metabolome Database (HMDB) identifier of the biochemical. Column 12-41: Biochemical abundance associated with samples. Values are normalized in terms of raw area counts. Dataset Item 2 (Table). Biochemicals, pathway assignment, and abundance, re-scaled. Row 2 indicates the amount of protein found in each sample. Row 3 denotes the contents of the column below. Column 1: Biochemical name. Column 2: Super pathway the biochemical is associated with. Column 3: Sub pathway the biochemical is associated with. Column 4: Compound ID. Column 5: Platform used for the identification of the biochemical (GC/MS, LC/MS positive or LC/MS negative). Column 6: Retention index (RI) associated with the biochemical. Column 7: Mass of species. Column 8: Chemical Abstracts Service (CAS) identifier of the biochemical. Column 9: PubChem identifier of the biochemical. Column 10: KEGG identifier of the biochemical. Column 11: The Human Metabolome Database (HMDB) identifier of the biochemical. Column 12-41: Biochemical abundance associated with samples as denoted in Table 1. Each biochemical in Original scale is re-scaled to have median equal to 1. Then, missing values are imputed with the minimum. Dataset Item 3 (Images). Graphical views of biochemical abundance. Each box plot presents the abundance of one compound in all samples.