Clustering data with hclust algorithm for (Study ST000389)
(Analysis AN000625)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ethanolamine | ME133827 | 13.61 | 0.76 | 0.69 | 0.82 | 0.60 | 0.83 | 1.04 | 0.63 | 0.85 | 0.78 | 0.57 | 0.74 | 0.61 | 0.71 | 0.50 | 0.65 |
| salicylic acid | ME133762 | 0.07 | 0.05 | 0.42 | 2.86 | 0.07 | 0.25 | 0.07 | 0.23 | 0.06 | 1.48 | 0.45 | 0.32 | 11.57 | 0.17 | 1.49 | 0.07 |
| erythritol | ME133828 | 0.18 | 0.29 | 0.40 | 1.22 | 0.28 | 0.40 | 0.66 | 6.91 | 0.30 | 0.38 | 0.36 | 0.34 | 0.36 | 0.36 | 0.45 | 0.30 |
| fucose + rhamnose | ME133825 | 6.72 | 0.79 | 0.81 | 0.84 | 0.85 | 0.88 | 1.66 | 0.81 | 0.97 | 0.99 | 0.82 | 0.90 | 0.63 | 0.94 | 0.62 | 0.54 |
| sucrose | ME133757 | 6.96 | 0.39 | 1.30 | 0.63 | 0.36 | 0.62 | 0.56 | 0.67 | 0.41 | 0.78 | 0.63 | 1.09 | 0.78 | 0.70 | 0.93 | 2.70 |
| 3-hydroxybutanoic acid | ME133858 | 0.24 | 1.40 | 0.25 | 0.93 | 4.55 | 1.15 | 0.67 | 0.44 | 3.65 | 0.86 | 1.15 | 0.82 | 0.26 | 1.16 | 0.20 | 0.30 |
| inosine | ME133805 | 0.47 | 0.44 | 0.38 | 0.42 | 0.40 | 0.45 | 0.30 | 1.44 | 0.39 | 1.66 | 1.84 | 0.59 | 3.33 | 0.42 | 0.66 | 1.95 |
| ribose | ME133763 | 1.03 | 0.77 | 0.57 | 0.79 | 0.88 | 0.46 | 0.49 | 0.88 | 0.82 | 1.63 | 0.79 | 0.60 | 3.71 | 0.74 | 0.62 | 1.40 |
| glycerol | ME133815 | 3.60 | 1.02 | 0.76 | 0.95 | 1.84 | 1.75 | 1.09 | 0.73 | 0.92 | 0.82 | 0.74 | 1.02 | 0.60 | 1.52 | 0.28 | 0.88 |
| levoglucosan | ME133793 | 0.52 | 0.44 | 1.12 | 0.69 | 0.52 | 0.51 | 1.26 | 1.10 | 1.02 | 0.81 | 1.49 | 0.51 | 0.43 | 1.02 | 0.83 | 3.61 |
| heptadecanoic acid NIST | ME133810 | 0.67 | 1.03 | 0.93 | 0.90 | 3.34 | 1.09 | 1.03 | 1.02 | 0.85 | 1.00 | 0.82 | 0.92 | 0.93 | 1.00 | 0.69 | 1.14 |
| inulobiose | ME133803 | 0.63 | 0.59 | 0.91 | 0.85 | 3.48 | 0.67 | 1.21 | 1.45 | 0.62 | 1.06 | 0.60 | 0.94 | 0.77 | 1.16 | 1.27 | 0.67 |
| oleic acid | ME133777 | 0.15 | 1.26 | 0.48 | 1.08 | 1.93 | 1.97 | 0.79 | 0.86 | 1.26 | 0.98 | 0.77 | 0.89 | 0.78 | 1.77 | 0.21 | 0.92 |
| palmitoleic acid | ME133772 | 0.20 | 1.50 | 0.39 | 0.85 | 1.96 | 2.30 | 0.46 | 0.88 | 0.90 | 0.94 | 0.80 | 0.90 | 0.32 | 2.23 | 0.42 | 0.99 |
| conduritol-beta-epoxide minor | ME133834 | 0.12 | 0.92 | 1.07 | 1.73 | 0.08 | 0.17 | 1.81 | 1.29 | 1.48 | 0.93 | 0.48 | 1.30 | 0.91 | 0.51 | 0.74 | 0.61 |
| maltose | ME133788 | 2.19 | 0.72 | 0.70 | 0.88 | 0.53 | 0.70 | 0.64 | 0.67 | 1.14 | 1.47 | 0.66 | 0.86 | 1.19 | 0.81 | 0.90 | 1.50 |
| alpha ketoglutaric acid | ME133852 | 2.06 | 0.93 | 1.13 | 1.41 | 0.81 | 1.79 | 0.76 | 0.93 | 1.22 | 0.85 | 0.86 | 1.08 | 0.59 | 0.70 | 0.63 | 0.87 |
| caprylic acid | ME133839 | 2.84 | 0.92 | 0.98 | 0.83 | 0.97 | 1.08 | 1.34 | 0.87 | 0.88 | 0.94 | 1.04 | 1.07 | 0.87 | 1.04 | 0.79 | 0.94 |
| succinic acid | ME133758 | 2.95 | 0.83 | 1.08 | 0.81 | 0.83 | 1.29 | 1.34 | 0.83 | 0.76 | 1.04 | 0.90 | 1.13 | 1.06 | 0.89 | 0.63 | 0.97 |
| 2-hydroxyglutaric acid | ME133864 | 2.18 | 0.92 | 0.91 | 1.02 | 1.14 | 0.87 | 1.52 | 0.98 | 0.95 | 0.95 | 0.99 | 0.95 | 1.04 | 0.97 | 0.99 | 0.88 |
| hydroxylamine | ME133808 | 1.98 | 1.16 | 1.05 | 0.87 | 0.71 | 1.26 | 0.99 | 1.07 | 0.91 | 1.03 | 0.79 | 0.92 | 0.95 | 1.06 | 0.96 | 0.90 |
| ornithine | ME133776 | 1.51 | 0.87 | 0.98 | 0.81 | 0.90 | 1.07 | 1.30 | 0.89 | 0.81 | 1.05 | 0.81 | 0.97 | 1.31 | 1.32 | 0.96 | 1.02 |
| threonic acid | ME133754 | 0.34 | 0.98 | 0.80 | 0.78 | 0.45 | 0.56 | 0.48 | 1.05 | 1.18 | 1.48 | 0.99 | 0.71 | 0.45 | 1.02 | 1.65 | 1.02 |
| gamma-tocopherol | ME133822 | 1.06 | 1.22 | 0.87 | 1.47 | 1.36 | 0.67 | 0.73 | 0.87 | 1.19 | 0.98 | 0.52 | 1.15 | 1.69 | 0.67 | 0.72 | 0.96 |
| glycerol-3-galactoside | ME133814 | 0.48 | 1.10 | 0.88 | 0.95 | 0.35 | 2.14 | 1.80 | 0.85 | 0.74 | 1.32 | 0.73 | 1.06 | 0.66 | 0.88 | 0.52 | 1.01 |
| pipecolic acid | ME133768 | 0.63 | 1.08 | 1.20 | 1.12 | 0.68 | 1.92 | 1.70 | 0.91 | 0.86 | 0.94 | 1.07 | 1.09 | 0.67 | 0.86 | 0.86 | 0.72 |
| conduritol beta expoxide minor | ME133835 | 0.34 | 0.92 | 1.04 | 0.90 | 0.42 | 1.48 | 1.66 | 0.88 | 0.80 | 1.09 | 1.24 | 0.81 | 0.75 | 1.40 | 1.18 | 0.77 |
| 233005 carbohydrate | ME133869 | 0.29 | 1.24 | 1.30 | 1.01 | 0.34 | 1.52 | 1.10 | 0.71 | 0.63 | 1.03 | 1.11 | 1.33 | 0.71 | 0.99 | 0.71 | 0.82 |
| lactobionic acid | ME133796 | 0.59 | 1.10 | 1.00 | 0.66 | 0.41 | 1.26 | 1.17 | 0.96 | 0.78 | 1.16 | 1.27 | 1.07 | 0.55 | 1.11 | 0.74 | 1.15 |
| 1-monopalmitin | ME133867 | 0.45 | 0.87 | 0.74 | 1.47 | 1.08 | 0.92 | 1.02 | 0.77 | 0.62 | 1.25 | 0.70 | 0.78 | 0.46 | 1.79 | 0.42 | 0.82 |
| 1-monostearin | ME133866 | 0.62 | 0.98 | 0.69 | 1.30 | 1.15 | 1.11 | 0.92 | 0.82 | 0.75 | 1.18 | 0.71 | 0.91 | 0.47 | 1.63 | 0.62 | 0.87 |
| linoleic acid | ME133792 | 0.22 | 1.08 | 0.76 | 1.04 | 1.35 | 1.64 | 0.84 | 1.01 | 1.15 | 1.00 | 0.82 | 0.98 | 0.68 | 1.41 | 0.42 | 1.10 |
| myristic acid | ME133782 | 0.43 | 1.11 | 0.85 | 0.91 | 1.40 | 1.70 | 1.54 | 0.98 | 1.24 | 0.93 | 0.91 | 1.00 | 0.51 | 1.37 | 0.40 | 0.96 |
| glucuronic acid | ME133819 | 0.41 | 0.63 | 0.94 | 1.22 | 1.69 | 0.73 | 1.22 | 0.88 | 0.68 | 1.22 | 0.78 | 0.96 | 0.73 | 1.00 | 1.27 | 0.97 |
| quinic acid | ME133765 | 0.21 | 0.92 | 0.75 | 0.74 | 0.94 | 0.72 | 1.55 | 1.30 | 0.78 | 1.21 | 1.06 | 1.30 | 0.48 | 0.74 | 1.29 | 0.83 |
| fumaric acid | ME133824 | 0.93 | 0.93 | 0.86 | 0.97 | 1.13 | 0.86 | 1.15 | 0.95 | 0.98 | 1.06 | 0.96 | 1.17 | 0.90 | 0.86 | 1.71 | 0.68 |
| shikimic acid | ME133760 | 0.68 | 1.22 | 1.19 | 0.95 | 0.64 | 0.86 | 0.81 | 1.20 | 1.14 | 0.84 | 1.02 | 1.25 | 1.14 | 0.71 | 1.49 | 0.70 |
| mannose | ME133787 | 0.60 | 0.83 | 0.95 | 1.21 | 1.13 | 0.84 | 1.26 | 0.91 | 1.83 | 0.89 | 0.97 | 1.00 | 0.87 | 0.82 | 1.39 | 0.74 |
| fructose | ME133826 | 0.95 | 0.74 | 0.94 | 1.39 | 1.13 | 0.70 | 1.32 | 0.75 | 1.82 | 0.79 | 1.14 | 1.13 | 0.75 | 0.66 | 1.56 | 0.72 |
| tagatose | ME133756 | 0.85 | 0.81 | 0.85 | 1.19 | 1.38 | 0.72 | 1.13 | 0.82 | 1.53 | 0.87 | 1.16 | 1.17 | 0.76 | 0.70 | 1.74 | 0.77 |
| 2-ketoisocaproic acid | ME133862 | 0.69 | 0.88 | 1.14 | 1.33 | 1.02 | 0.70 | 1.21 | 1.02 | 1.30 | 0.91 | 0.89 | 1.06 | 0.67 | 0.92 | 0.74 | 0.89 |
| glucose | ME133820 | 0.84 | 0.72 | 1.18 | 1.42 | 0.89 | 0.85 | 1.68 | 0.84 | 1.54 | 0.84 | 0.82 | 1.10 | 0.72 | 0.85 | 0.97 | 0.80 |
| 302365 similar to beta-alanine minor | ME133868 | 0.52 | 0.77 | 1.02 | 1.11 | 0.97 | 1.03 | 0.89 | 1.00 | 0.77 | 1.08 | 0.59 | 1.07 | 0.53 | 1.01 | 0.93 | 1.67 |
| 3-aminoisobutyric acid | ME133859 | 0.49 | 0.77 | 0.97 | 1.04 | 1.08 | 0.78 | 0.65 | 1.14 | 0.99 | 1.11 | 0.69 | 1.00 | 0.49 | 0.77 | 0.90 | 1.94 |
| beta-mannosylglycerate | ME133841 | 0.44 | 0.62 | 1.32 | 1.17 | 0.73 | 0.64 | 0.59 | 1.13 | 0.69 | 0.94 | 0.84 | 1.06 | 0.99 | 1.09 | 1.31 | 1.23 |
| maleimide | ME133790 | 0.61 | 0.77 | 0.94 | 1.47 | 0.97 | 0.64 | 0.75 | 1.10 | 0.87 | 1.04 | 0.77 | 1.05 | 1.15 | 0.99 | 0.86 | 0.87 |
| oxalic acid | ME133775 | 0.85 | 1.15 | 0.73 | 0.77 | 1.71 | 1.08 | 1.14 | 0.86 | 0.78 | 1.09 | 1.30 | 0.93 | 1.20 | 1.19 | 0.85 | 0.97 |
| 2-hydroxybutanoic acid | ME133865 | 0.52 | 0.76 | 0.71 | 1.39 | 1.57 | 0.95 | 0.84 | 0.94 | 1.41 | 0.88 | 0.96 | 1.27 | 0.70 | 1.19 | 0.36 | 0.72 |
| N-methylalanine | ME133779 | 0.57 | 1.08 | 0.90 | 1.06 | 1.52 | 0.81 | 0.95 | 0.92 | 1.27 | 0.98 | 0.97 | 1.11 | 1.18 | 1.11 | 0.56 | 0.75 |
| glutamic acid | ME133817 | 0.61 | 0.65 | 0.93 | 1.02 | 0.82 | 1.77 | 1.46 | 0.81 | 0.91 | 0.94 | 0.76 | 1.13 | 1.43 | 1.34 | 0.76 | 1.13 |
| N-acetylglycine NIST | ME133781 | 0.96 | 0.90 | 0.85 | 1.02 | 0.97 | 1.38 | 0.68 | 0.79 | 1.39 | 1.19 | 0.78 | 0.99 | 1.10 | 0.97 | 0.58 | 1.04 |
| uric acid | ME133747 | 0.54 | 0.32 | 0.99 | 1.13 | 1.20 | 1.38 | 0.85 | 1.01 | 1.02 | 1.09 | 1.21 | 1.08 | 1.20 | 0.80 | 0.84 | 0.88 |
| gluconic acid | ME133821 | 0.75 | 0.79 | 1.02 | 0.91 | 0.77 | 1.06 | 1.16 | 1.16 | 1.37 | 1.03 | 0.76 | 0.90 | 1.45 | 0.79 | 1.32 | 1.15 |
| uridine | ME133746 | 0.64 | 0.50 | 0.96 | 0.88 | 1.08 | 0.78 | 0.91 | 1.16 | 1.09 | 1.23 | 0.90 | 0.97 | 1.46 | 0.64 | 0.84 | 1.43 |
| xylose | ME133742 | 0.82 | 0.73 | 1.08 | 0.82 | 1.04 | 1.04 | 0.64 | 1.00 | 1.01 | 1.00 | 1.31 | 1.00 | 1.39 | 1.06 | 1.26 | 0.84 |
| 2-phenylpropanol NIST | ME133861 | 0.86 | 1.04 | 0.80 | 1.13 | 1.05 | 0.99 | 0.73 | 0.85 | 1.10 | 1.03 | 1.21 | 0.92 | 1.11 | 1.07 | 0.94 | 1.03 |
| trans-4-hydroxyproline | ME133751 | 0.98 | 0.86 | 0.88 | 1.02 | 0.76 | 1.14 | 1.00 | 0.78 | 1.09 | 1.10 | 1.15 | 0.98 | 1.30 | 1.01 | 1.07 | 0.88 |
| 4-hydroxyproline | ME133856 | 0.53 | 0.99 | 1.18 | 0.94 | 0.81 | 0.89 | 0.75 | 0.86 | 1.03 | 1.05 | 0.79 | 0.96 | 1.34 | 1.20 | 1.34 | 0.99 |
| 5-methoxytryptamine | ME133855 | 0.66 | 1.24 | 0.94 | 1.19 | 0.57 | 1.05 | 0.92 | 0.86 | 1.18 | 1.05 | 0.89 | 0.99 | 1.41 | 0.91 | 1.11 | 0.80 |
| lactamide | ME133798 | 0.47 | 0.88 | 1.01 | 1.11 | 1.00 | 1.07 | 0.85 | 0.93 | 1.14 | 0.89 | 1.01 | 1.16 | 1.79 | 0.89 | 0.96 | 0.99 |
| lactic acid | ME133797 | 0.33 | 0.84 | 0.93 | 1.11 | 0.79 | 1.42 | 0.88 | 0.81 | 1.05 | 0.93 | 1.03 | 1.20 | 1.68 | 0.94 | 0.77 | 1.25 |
| taurine | ME133755 | 0.84 | 1.06 | 0.72 | 0.98 | 1.13 | 1.00 | 0.89 | 1.00 | 0.96 | 1.10 | 0.86 | 1.02 | 2.03 | 1.03 | 0.53 | 1.06 |
| aspartic acid | ME133844 | 0.72 | 0.83 | 0.79 | 0.90 | 0.97 | 0.95 | 1.15 | 0.91 | 1.00 | 1.09 | 0.77 | 1.00 | 1.68 | 1.33 | 0.79 | 1.09 |
| beta-alanine | ME133842 | 0.59 | 0.86 | 0.85 | 0.91 | 1.02 | 1.04 | 1.02 | 0.89 | 0.92 | 0.93 | 1.00 | 1.14 | 1.39 | 1.62 | 0.79 | 0.82 |
| glyceric acid | ME133816 | 0.26 | 0.93 | 0.93 | 0.75 | 0.46 | 0.89 | 1.20 | 0.87 | 0.81 | 1.20 | 0.87 | 1.04 | 1.19 | 1.17 | 1.27 | 1.32 |
| urea | ME133748 | 0.50 | 0.88 | 1.35 | 0.73 | 0.66 | 0.97 | 1.17 | 1.13 | 0.82 | 1.24 | 1.19 | 0.71 | 0.88 | 0.93 | 1.58 | 0.71 |
| inositol myo- delta | ME133804 | 0.73 | 0.74 | 1.03 | 0.85 | 0.71 | 1.35 | 1.28 | 0.81 | 0.95 | 1.20 | 1.00 | 0.89 | 1.21 | 1.08 | 1.32 | 0.90 |
| phenylethylamine | ME133769 | 0.65 | 0.78 | 1.10 | 0.59 | 1.04 | 1.55 | 1.13 | 0.75 | 1.07 | 1.13 | 1.38 | 1.01 | 1.07 | 1.00 | 1.33 | 0.80 |
| indole-3-acetate | ME133807 | 0.86 | 0.84 | 0.90 | 0.77 | 0.97 | 1.11 | 0.50 | 1.34 | 0.66 | 1.25 | 0.99 | 1.12 | 0.49 | 0.99 | 0.91 | 0.80 |
| cholesterol | ME133838 | 0.54 | 1.27 | 0.81 | 1.35 | 1.45 | 0.91 | 0.73 | 1.07 | 0.93 | 1.11 | 0.74 | 1.05 | 0.72 | 0.86 | 0.71 | 0.85 |
| methanolphosphate | ME133786 | 0.58 | 1.16 | 0.90 | 1.02 | 1.05 | 1.29 | 0.85 | 0.77 | 0.91 | 1.21 | 0.67 | 1.03 | 0.81 | 1.06 | 0.94 | 1.13 |
| xylitol | ME133743 | 0.81 | 0.98 | 0.91 | 1.05 | 0.92 | 0.84 | 0.69 | 0.82 | 0.75 | 1.49 | 0.73 | 0.95 | 0.77 | 0.78 | 1.02 | 0.98 |
| lauric acid | ME133795 | 0.56 | 0.95 | 0.90 | 0.83 | 1.18 | 1.31 | 1.43 | 0.95 | 1.75 | 0.96 | 0.84 | 0.96 | 0.70 | 1.25 | 0.86 | 0.87 |
| N-acetylmannosamine minor2 | ME133780 | 0.54 | 0.90 | 1.17 | 0.72 | 0.99 | 1.11 | 1.09 | 1.05 | 1.48 | 1.18 | 1.00 | 0.74 | 0.80 | 1.17 | 1.03 | 0.62 |
| arabinose | ME133849 | 1.02 | 0.76 | 0.92 | 0.86 | 1.16 | 0.63 | 1.60 | 1.01 | 0.88 | 1.14 | 0.86 | 1.17 | 1.02 | 1.11 | 0.97 | 0.62 |
| ribitol | ME133764 | 1.13 | 0.73 | 0.80 | 0.75 | 1.14 | 1.28 | 2.04 | 0.92 | 0.91 | 1.17 | 0.87 | 1.20 | 0.97 | 0.91 | 0.95 | 0.81 |
| 3,6-anhydrogalactose | ME133857 | 1.12 | 0.75 | 0.95 | 1.13 | 1.17 | 1.02 | 1.08 | 0.88 | 1.40 | 0.88 | 0.99 | 1.17 | 0.57 | 0.87 | 1.20 | 1.00 |
| cystine | ME133830 | 0.68 | 0.85 | 1.03 | 0.96 | 1.39 | 0.68 | 1.06 | 1.35 | 1.15 | 0.97 | 1.08 | 0.94 | 0.83 | 0.95 | 0.97 | 0.83 |
| cysteine | ME133832 | 0.84 | 0.88 | 1.16 | 1.06 | 1.25 | 0.97 | 0.78 | 1.13 | 1.25 | 0.98 | 1.12 | 0.98 | 0.77 | 0.78 | 0.95 | 0.83 |
| cysteine-glycine | ME133831 | 0.95 | 0.91 | 1.13 | 1.08 | 1.09 | 0.94 | 0.87 | 1.08 | 1.30 | 0.93 | 0.96 | 0.94 | 0.78 | 1.03 | 0.83 | 0.95 |
| 2-hydroxyvaleric acid | ME133863 | 0.79 | 0.88 | 0.97 | 0.99 | 1.21 | 0.98 | 0.97 | 0.88 | 1.16 | 1.11 | 1.05 | 1.01 | 0.85 | 0.87 | 0.97 | 1.03 |
| dihydroabietic acid | ME133829 | 0.80 | 0.86 | 0.87 | 1.07 | 1.13 | 0.97 | 0.97 | 1.07 | 1.17 | 1.05 | 0.88 | 0.93 | 1.09 | 1.03 | 0.77 | 1.09 |
| malic acid | ME133789 | 1.32 | 0.89 | 0.97 | 1.15 | 1.01 | 1.17 | 1.08 | 0.87 | 1.08 | 0.97 | 0.92 | 1.02 | 1.39 | 0.97 | 0.77 | 0.95 |
| xanthine | ME133744 | 1.15 | 0.86 | 1.00 | 1.16 | 1.31 | 1.09 | 1.05 | 0.98 | 0.80 | 0.98 | 1.02 | 1.10 | 1.18 | 0.81 | 0.79 | 0.99 |
| citric acid | ME133837 | 0.91 | 0.96 | 0.95 | 1.05 | 1.11 | 1.09 | 1.28 | 1.02 | 0.95 | 1.01 | 0.82 | 1.14 | 0.83 | 1.08 | 0.83 | 0.78 |
| isocitric acid | ME133802 | 1.15 | 0.86 | 1.05 | 1.03 | 0.98 | 1.17 | 1.24 | 1.05 | 1.12 | 0.95 | 0.96 | 1.05 | 0.93 | 0.96 | 0.92 | 0.84 |
| arachidic acid | ME133847 | 1.14 | 0.89 | 0.97 | 1.20 | 0.51 | 1.05 | 1.27 | 1.01 | 0.97 | 1.02 | 0.85 | 1.14 | 0.78 | 0.95 | 0.68 | 0.97 |
| stearic acid | ME133759 | 0.91 | 0.97 | 0.90 | 1.00 | 0.77 | 1.13 | 1.36 | 1.13 | 0.98 | 1.00 | 1.05 | 1.01 | 0.78 | 1.07 | 0.62 | 1.03 |
| monoolein | ME133783 | 0.54 | 1.06 | 0.91 | 1.04 | 1.43 | 1.06 | 1.08 | 1.10 | 0.78 | 1.12 | 0.94 | 0.83 | 0.86 | 1.10 | 0.65 | 1.13 |
| methylhexadecanoic acid | ME133784 | 0.66 | 1.01 | 0.90 | 1.01 | 1.10 | 1.25 | 1.32 | 0.99 | 0.98 | 1.05 | 0.97 | 1.03 | 0.78 | 1.10 | 0.60 | 0.96 |
| palmitic acid | ME133773 | 0.60 | 1.02 | 0.81 | 1.04 | 1.09 | 1.48 | 1.27 | 1.01 | 1.11 | 0.97 | 1.03 | 0.97 | 0.70 | 1.24 | 0.53 | 1.01 |
| aminomalonic acid | ME133850 | 0.32 | 1.21 | 0.87 | 0.96 | 0.73 | 1.45 | 1.41 | 0.78 | 0.78 | 1.14 | 0.81 | 1.17 | 0.66 | 1.18 | 0.57 | 1.17 |
| capric acid | ME133840 | 0.65 | 1.15 | 1.02 | 0.82 | 1.13 | 1.46 | 1.81 | 0.93 | 0.90 | 0.92 | 0.91 | 1.09 | 0.91 | 1.25 | 0.93 | 0.86 |
| histidine | ME133809 | 0.54 | 0.83 | 1.03 | 0.89 | 0.83 | 1.31 | 1.69 | 0.90 | 0.92 | 0.97 | 0.86 | 1.11 | 0.69 | 1.40 | 0.72 | 1.08 |
| alpha-terpineol | ME133851 | 0.69 | 0.81 | 0.92 | 1.04 | 0.89 | 0.76 | 1.19 | 1.25 | 0.93 | 0.84 | 0.90 | 1.26 | 0.46 | 1.05 | 1.23 | 1.18 |
| citrulline | ME133836 | 0.77 | 1.11 | 0.96 | 0.76 | 0.74 | 1.01 | 1.28 | 1.08 | 0.87 | 0.91 | 0.95 | 1.10 | 0.88 | 1.12 | 1.39 | 1.29 |
| glycolic acid | ME133811 | 1.06 | 0.91 | 0.96 | 0.85 | 0.95 | 0.95 | 1.56 | 0.98 | 1.05 | 1.06 | 1.09 | 1.00 | 0.80 | 0.83 | 1.19 | 1.08 |
| proline | ME133767 | 0.81 | 0.89 | 1.37 | 1.05 | 0.63 | 0.88 | 1.54 | 1.10 | 0.78 | 0.92 | 0.78 | 1.14 | 0.63 | 1.15 | 0.89 | 0.81 |
| galactonic acid | ME133823 | 0.57 | 0.90 | 1.14 | 0.86 | 1.05 | 0.80 | 1.48 | 0.97 | 1.24 | 1.07 | 0.94 | 0.98 | 0.86 | 0.84 | 0.74 | 1.30 |
| threonine | ME133753 | 0.58 | 1.18 | 1.05 | 0.91 | 0.82 | 1.02 | 1.30 | 0.97 | 0.80 | 1.02 | 0.80 | 1.10 | 0.99 | 1.27 | 0.93 | 0.85 |
| asparagine | ME133845 | 0.66 | 1.02 | 0.91 | 0.90 | 0.93 | 0.96 | 1.42 | 1.00 | 0.90 | 0.98 | 0.85 | 1.01 | 1.22 | 1.32 | 0.92 | 1.09 |
| valine | ME133745 | 0.71 | 0.92 | 1.05 | 0.99 | 0.81 | 0.95 | 1.26 | 0.90 | 0.99 | 1.04 | 0.79 | 1.09 | 1.18 | 1.21 | 0.87 | 0.88 |
| serine | ME133761 | 0.92 | 0.92 | 0.87 | 0.79 | 0.90 | 1.03 | 1.42 | 0.93 | 0.93 | 1.10 | 0.77 | 1.13 | 1.04 | 1.31 | 0.64 | 1.04 |
| glycine | ME133812 | 0.60 | 0.98 | 0.93 | 0.92 | 0.92 | 1.13 | 1.46 | 0.86 | 0.86 | 1.11 | 0.77 | 1.12 | 0.99 | 1.19 | 0.64 | 1.13 |
| phenylalanine | ME133770 | 0.70 | 0.86 | 0.97 | 0.95 | 0.91 | 1.13 | 1.50 | 0.93 | 0.84 | 0.99 | 0.81 | 1.13 | 1.11 | 1.25 | 0.78 | 1.10 |
| tyrosine | ME133749 | 0.82 | 0.76 | 0.94 | 1.02 | 0.84 | 0.91 | 1.50 | 1.15 | 0.82 | 0.94 | 0.82 | 1.12 | 0.92 | 1.28 | 0.90 | 0.95 |
| methionine | ME133785 | 0.58 | 0.91 | 1.03 | 0.93 | 0.79 | 0.98 | 1.49 | 0.98 | 0.83 | 0.97 | 0.82 | 1.10 | 0.96 | 1.41 | 0.87 | 0.97 |
| isoleucine | ME133801 | 0.86 | 0.82 | 1.07 | 0.99 | 0.70 | 0.97 | 1.45 | 0.88 | 0.82 | 1.02 | 0.67 | 1.13 | 1.09 | 1.38 | 0.88 | 0.92 |
| leucine | ME133794 | 0.80 | 0.80 | 1.04 | 0.94 | 0.84 | 1.09 | 1.54 | 0.85 | 0.86 | 1.02 | 0.71 | 1.07 | 1.07 | 1.43 | 0.83 | 1.00 |
| glycerol-alpha-phosphate | ME133813 | 0.46 | 0.85 | 0.82 | 0.86 | 1.19 | 1.15 | 1.56 | 0.98 | 0.89 | 1.06 | 0.85 | 1.21 | 0.88 | 1.03 | 1.02 | 1.10 |
| lysine | ME133791 | 0.46 | 0.79 | 0.87 | 0.98 | 0.91 | 1.14 | 1.60 | 1.02 | 0.80 | 1.02 | 0.85 | 1.21 | 0.97 | 1.18 | 0.86 | 0.94 |
| aconitic acid delta | ME133854 | 0.68 | 0.77 | 0.97 | 1.16 | 1.13 | 0.93 | 1.39 | 0.93 | 0.77 | 1.07 | 0.96 | 1.03 | 0.76 | 1.13 | 0.88 | 0.94 |
| arabitol | ME133848 | 0.48 | 0.78 | 1.00 | 1.07 | 0.97 | 0.76 | 1.55 | 1.10 | 0.76 | 1.08 | 0.93 | 1.03 | 0.79 | 1.06 | 1.19 | 0.81 |
| isothreonic acid | ME133800 | 0.48 | 0.85 | 1.06 | 0.90 | 0.95 | 0.98 | 1.58 | 1.11 | 0.80 | 1.06 | 0.86 | 0.96 | 0.97 | 1.15 | 1.22 | 0.96 |
| octadecanol | ME133778 | 0.85 | 0.81 | 1.14 | 1.05 | 0.99 | 0.97 | 1.11 | 1.00 | 0.93 | 0.94 | 0.94 | 0.94 | 1.33 | 1.01 | 0.86 | 1.34 |
| benzoic acid | ME133843 | 0.66 | 0.98 | 1.04 | 0.82 | 1.00 | 0.91 | 1.34 | 1.01 | 0.90 | 1.08 | 0.96 | 1.02 | 1.24 | 1.01 | 0.94 | 1.05 |
| pelargonic acid | ME133771 | 0.66 | 1.13 | 0.96 | 0.87 | 0.90 | 1.04 | 1.39 | 0.92 | 1.03 | 1.02 | 1.10 | 0.97 | 1.28 | 1.00 | 0.91 | 1.08 |
| kynurenine | ME133799 | 0.66 | 0.83 | 0.82 | 0.86 | 0.84 | 0.99 | 1.23 | 1.21 | 1.01 | 1.03 | 1.01 | 1.26 | 1.04 | 0.93 | 1.08 | 0.77 |
| arachidonic acid isomer | ME133846 | 0.42 | 0.93 | 0.68 | 1.05 | 1.03 | 0.89 | 1.21 | 0.94 | 0.96 | 1.13 | 0.84 | 1.12 | 1.07 | 1.04 | 1.22 | 0.95 |
| oxoproline | ME133774 | 0.49 | 1.02 | 1.06 | 0.98 | 1.00 | 0.95 | 1.27 | 0.97 | 0.93 | 1.00 | 0.76 | 1.03 | 1.23 | 1.16 | 1.23 | 0.91 |
| 2,3-dihydroxybutanoic acid NIST | ME133860 | 0.76 | 1.28 | 0.95 | 0.98 | 0.93 | 1.04 | 1.22 | 1.12 | 0.89 | 1.11 | 1.01 | 0.88 | 0.87 | 0.94 | 1.02 | 0.83 |
| indole-3-lactate | ME133806 | 0.60 | 1.04 | 1.11 | 0.95 | 0.64 | 1.19 | 0.86 | 1.08 | 0.78 | 1.13 | 1.19 | 0.93 | 0.67 | 1.02 | 0.97 | 0.85 |
| creatinine | ME133833 | 0.54 | 0.69 | 0.96 | 0.95 | 1.18 | 1.09 | 0.79 | 0.95 | 0.86 | 1.19 | 0.89 | 1.03 | 0.89 | 1.13 | 0.93 | 1.03 |
| pseudo uridine | ME133766 | 0.55 | 0.70 | 1.16 | 0.90 | 1.08 | 1.03 | 1.12 | 1.08 | 0.93 | 1.14 | 0.92 | 0.93 | 1.02 | 1.00 | 1.08 | 0.90 |
| tocopherol alpha | ME133752 | 0.34 | 0.95 | 0.88 | 1.05 | 0.87 | 0.92 | 0.99 | 1.03 | 0.98 | 1.18 | 0.81 | 1.05 | 0.71 | 0.97 | 0.94 | 1.12 |
| glutamine | ME133818 | 0.62 | 0.92 | 1.01 | 0.93 | 0.77 | 0.91 | 1.23 | 1.13 | 1.06 | 1.05 | 1.01 | 0.98 | 0.48 | 1.13 | 0.94 | 1.00 |
| alanine | ME133853 | 0.49 | 0.81 | 1.08 | 1.21 | 0.91 | 1.02 | 1.08 | 1.01 | 1.03 | 0.87 | 0.87 | 1.19 | 0.81 | 1.13 | 0.97 | 0.92 |
| tryptophan | ME133750 | 0.55 | 0.81 | 1.11 | 0.92 | 0.69 | 1.04 | 1.23 | 1.10 | 0.90 | 1.01 | 0.94 | 1.10 | 0.88 | 1.12 | 0.84 | 1.07 |
Factors:
| F1 | Smoking Status:Current | Gender:Female | Emphysema/COPD:No | Group:Benign |
| F2 | Smoking Status:Current | Gender:Female | Emphysema/COPD:No | Group:Cancer |
| F3 | Smoking Status:Current | Gender:Female | Emphysema/COPD:Yes | Group:Benign |
| F4 | Smoking Status:Current | Gender:Female | Emphysema/COPD:Yes | Group:Cancer |
| F5 | Smoking Status:Current | Gender:Male | Emphysema/COPD:No | Group:Benign |
| F6 | Smoking Status:Current | Gender:Male | Emphysema/COPD:No | Group:Cancer |
| F7 | Smoking Status:Current | Gender:Male | Emphysema/COPD:Yes | Group:Benign |
| F8 | Smoking Status:Current | Gender:Male | Emphysema/COPD:Yes | Group:Cancer |
| F9 | Smoking Status:Former | Gender:Female | Emphysema/COPD:No | Group:Benign |
| F10 | Smoking Status:Former | Gender:Female | Emphysema/COPD:No | Group:Cancer |
| F11 | Smoking Status:Former | Gender:Female | Emphysema/COPD:Yes | Group:Benign |
| F12 | Smoking Status:Former | Gender:Female | Emphysema/COPD:Yes | Group:Cancer |
| F13 | Smoking Status:Former | Gender:Male | Emphysema/COPD:No | Group:Benign |
| F14 | Smoking Status:Former | Gender:Male | Emphysema/COPD:No | Group:Cancer |
| F15 | Smoking Status:Former | Gender:Male | Emphysema/COPD:Yes | Group:Benign |
| F16 | Smoking Status:Former | Gender:Male | Emphysema/COPD:Yes | Group:Cancer |