Data for ST002194
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1.2.4-Butanetriol | 0.04 | 0.02 | 0.02 | 0.03 | 0.04 | 0.03 | 0.02 | 0.03 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0.01 | 0.04 | 0.05 | 0.03 | 0.02 | 0.02 | 0.07 | 0.07 | 0.03 | 0.03 | 0.04 | 0.05 | 0.08 | 0.05 | 0.04 | |
| "1,2 - dihydroxy-cyclohexene" | 1.59 | 1.54 | 1.13 | 1.21 | 1.47 | 1.38 | 1.40 | 1.32 | 1.77 | 1.78 | 1.58 | 1.51 | 1.37 | 1.50 | 1.40 | 1.51 | 1.36 | 1.53 | 1.48 | 1.42 | 1.37 | 1.44 | 1.68 | 1.39 | 1.43 | 1.54 | 1.45 | 1.94 | 1.61 | 1.73 | 1.46 | 1.55 | 1.33 | 1.77 | 1.76 | 1.50 | 1.50 | |
| "1,4 - Butanediol" | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.08 | 0.02 | 0.03 | |
| 1-Octadecanol | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| 2.3-Butanediol | 0.92 | 0.79 | 0.77 | 0.72 | 0.86 | 0.73 | 0.96 | 0.80 | 0.60 | 0.57 | 0.90 | 0.95 | 0.85 | 0.98 | 0.94 | 1.05 | 1.07 | 1.06 | 0.96 | 1.13 | 1.07 | 0.95 | 1.04 | 0.85 | 0.33 | 0.81 | 1.02 | 0.98 | 0.94 | 0.31 | 0.70 | 0.92 | 0.86 | 0.80 | 0.86 | 0.95 | 0.95 | |
| "2,3-dihydroxy-butane" | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.02 | 0.02 | |
| "2,3-diphosphoglyceric acid" | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | |
| 2-Aminobutanoic acid | 0.09 | 0.10 | 0.08 | 0.25 | 0.08 | 0.13 | 0.11 | 0.14 | 0.06 | 0.06 | 0.09 | 0.11 | 0.08 | 0.14 | 0.17 | 0.11 | 0.09 | 0.12 | 0.11 | 0.21 | 0.14 | 0.10 | 0.24 | 0.12 | 0.00 | 0.11 | 0.06 | 0.14 | 0.12 | 0.00 | 0.06 | 0.14 | 0.11 | 0.24 | 0.04 | 0.17 | 0.10 | |
| 2-Hydroxybutyric acid | 0.59 | 0.42 | 0.91 | 1.57 | 0.50 | 0.77 | 0.45 | 1.00 | 0.37 | 0.32 | 0.56 | 0.72 | 0.54 | 0.77 | 1.34 | 0.87 | 0.67 | 0.86 | 0.83 | 1.43 | 0.72 | 0.69 | 1.48 | 0.91 | 0.58 | 0.95 | 0.53 | 1.06 | 1.02 | 1.30 | 0.50 | 1.01 | 1.25 | 1.48 | 0.33 | 1.26 | 0.77 | |
| 2-Hydroxyisovaleric acid (OR) 2-hydroxyisocaproic acid | 0.08 | 0.06 | 0.08 | 0.13 | 0.16 | 0.08 | 0.10 | 0.27 | 0.06 | 0.08 | 0.10 | 0.12 | 0.08 | 0.09 | 0.14 | 0.11 | 0.12 | 0.16 | 0.12 | 0.32 | 0.14 | 0.18 | 0.44 | 0.09 | 0.08 | 0.14 | 0.16 | 0.22 | 0.12 | 0.09 | 0.11 | 0.18 | 0.23 | 0.25 | 0.13 | 0.24 | 0.16 | |
| 2-ketoisocaproic acid | 0.03 | 0.03 | 0.03 | 0.06 | 0.05 | 0.05 | 0.06 | 0.05 | 0.03 | 0.03 | 0.03 | 0.04 | 0.02 | 0.03 | 0.05 | 0.03 | 0.04 | 0.04 | 0.06 | 0.03 | 0.03 | 0.03 | 0.05 | 0.03 | 0.04 | 0.03 | 0.03 | 0.05 | 0.03 | 0.02 | 0.02 | 0.04 | 0.05 | 0.05 | 0.02 | 0.04 | 0.03 | |
| 2-Ketoisovaleric acid | 0.19 | 0.20 | 0.18 | 0.20 | 0.22 | 0.17 | 0.19 | 0.20 | 0.28 | 0.25 | 0.20 | 0.20 | 0.20 | 0.19 | 0.21 | 0.20 | 0.20 | 0.21 | 0.21 | 0.20 | 0.19 | 0.19 | 0.20 | 0.18 | 0.16 | 0.18 | 0.18 | 0.20 | 0.23 | 0.14 | 0.20 | 0.18 | 0.19 | 0.20 | 0.19 | 0.19 | 0.19 | |
| Alpha-Ketoglutaric acid | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | 0.01 | 0.01 | |
| Azelaic acid | 0.04 | 0.13 | 0.05 | 0.00 | 0.05 | 0.03 | 0.00 | 0.07 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |
| Benzoic Acid | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.02 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.02 | 0.04 | 0.03 | 0.03 | 0.05 | 0.03 | 0.03 | 0.03 | |
| Boric acid | 0.47 | 0.23 | 0.37 | 0.81 | 0.14 | 0.49 | 0.19 | 0.44 | 1.22 | 1.14 | 1.37 | 1.08 | 0.88 | 1.33 | 0.81 | 1.23 | 1.23 | 1.33 | 1.08 | 1.64 | 1.22 | 1.19 | 1.03 | 0.82 | 0.33 | 0.81 | 0.79 | 1.30 | 1.12 | 0.34 | 0.77 | 0.94 | 0.60 | 0.91 | 0.96 | 1.08 | 0.87 | |
| Butylbenzene | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Carbamic acid | 0.05 | 0.05 | 0.04 | 0.04 | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.06 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.05 | 0.04 | 0.04 | |
| Cholesterol | 0.70 | 0.59 | 0.51 | 1.91 | 1.00 | 0.57 | 0.63 | 0.65 | 1.47 | 1.70 | 1.99 | 1.73 | 1.92 | 1.86 | 2.07 | 1.72 | 1.83 | 2.03 | 1.98 | 1.75 | 2.18 | 1.79 | 1.84 | 2.38 | 1.05 | 1.33 | 1.85 | 2.24 | 1.66 | 0.53 | 0.92 | 1.94 | 1.56 | 1.82 | 2.33 | 2.06 | 1.79 | |
| Citric acid | 0.51 | 0.45 | 0.94 | 0.47 | 0.62 | 0.27 | 0.41 | 0.60 | 0.15 | 0.14 | 0.18 | 0.26 | 0.29 | 0.28 | 0.45 | 0.19 | 0.23 | 0.20 | 0.17 | 0.29 | 0.23 | 0.27 | 0.22 | 0.29 | 0.07 | 0.15 | 0.14 | 0.25 | 0.23 | 0.08 | 0.21 | 0.17 | 0.15 | 0.19 | 0.15 | 0.21 | 0.24 | |
| Elaidic acid | 0.31 | 0.53 | 1.13 | 0.47 | 0.09 | 0.32 | 0.26 | 0.42 | 0.08 | 0.07 | 0.20 | 0.32 | 0.36 | 0.34 | 0.38 | 0.55 | 0.20 | 0.20 | 0.25 | 0.32 | 0.22 | 0.30 | 0.32 | 0.43 | 0.15 | 0.24 | 0.45 | 0.25 | 0.38 | 0.13 | 0.10 | 0.22 | 0.21 | 0.22 | 0.23 | 0.34 | 0.53 | |
| Erythritol | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.02 | 0.16 | 0.02 | 0.02 | 0.02 | 0.03 | 0.04 | 0.04 | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.05 | 0.03 | 0.04 | 0.01 | 0.02 | 0.03 | 0.02 | 0.10 | 0.02 | 0.05 | 0.02 | 0.03 | 0.02 | 0.12 | 0.05 | 0.06 | |
| Formamide | 0.21 | 0.25 | 0.17 | 0.18 | 0.23 | 0.24 | 0.20 | 0.20 | 0.20 | 0.19 | 0.19 | 0.31 | 0.18 | 0.20 | 0.20 | 0.18 | 0.19 | 0.20 | 0.18 | 0.20 | 0.19 | 0.20 | 0.20 | 0.18 | 0.17 | 0.18 | 0.17 | 0.18 | 0.23 | 0.19 | 0.20 | 0.19 | 0.17 | 0.16 | 0.23 | 0.19 | 0.20 | |
| fumaric acid | 0.02 | 0.03 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.03 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | |
| glucaric acid | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.08 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Glyceraldehyde | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | |
| Glyceric acid | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.01 | 0.02 | 0.02 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.03 | 0.03 | |
| Glycerol | 0.85 | 1.10 | 1.47 | 0.94 | 0.56 | 0.84 | 0.73 | 0.76 | 0.79 | 0.76 | 0.69 | 0.94 | 0.90 | 1.03 | 1.04 | 1.06 | 0.69 | 0.64 | 0.76 | 0.97 | 0.68 | 0.85 | 0.85 | 1.91 | 0.47 | 0.69 | 1.27 | 0.67 | 1.05 | 0.70 | 0.89 | 0.65 | 0.75 | 0.73 | 1.14 | 0.80 | 1.30 | |
| Glycerol 3-phosphate | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.06 | 0.01 | 0.01 | |
| Glycerol monostearate | 0.04 | 0.03 | 0.08 | 0.13 | 0.07 | 0.05 | 0.05 | 0.06 | 0.24 | 0.25 | 0.12 | 0.13 | 0.14 | 0.16 | 0.12 | 0.11 | 0.16 | 0.14 | 0.13 | 0.14 | 0.15 | 0.18 | 0.23 | 0.19 | 0.09 | 0.11 | 0.11 | 0.11 | 0.17 | 0.09 | 0.12 | 0.12 | 0.11 | 0.07 | 0.71 | 0.16 | 0.15 | |
| Glycine | 0.13 | 0.20 | 0.14 | 0.08 | 0.14 | 0.15 | 0.11 | 0.10 | 0.12 | 0.09 | 0.12 | 0.12 | 0.12 | 0.15 | 0.08 | 0.11 | 0.12 | 0.13 | 0.10 | 0.15 | 0.12 | 0.15 | 0.16 | 0.31 | 0.05 | 0.11 | 0.06 | 0.13 | 0.17 | 0.11 | 0.14 | 0.12 | 0.09 | 0.16 | 0.16 | 0.15 | 0.13 | |
| Glycolic acid | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | |
| Iminodiacetic Acid | 0.35 | 0.44 | 0.28 | 0.37 | 0.35 | 0.40 | 0.33 | 0.34 | 0.27 | 0.25 | 0.36 | 0.38 | 0.36 | 0.41 | 0.39 | 0.38 | 0.43 | 0.36 | 0.34 | 0.45 | 0.40 | 0.48 | 0.46 | 0.31 | 0.24 | 0.34 | 0.28 | 0.39 | 0.45 | 0.26 | 0.32 | 0.37 | 0.32 | 0.35 | 0.43 | 0.39 | 0.39 | |
| L-5-Oxoproline | 0.71 | 0.70 | 0.38 | 0.49 | 0.56 | 0.53 | 0.55 | 0.60 | 0.30 | 0.30 | 0.50 | 0.58 | 0.63 | 0.66 | 0.61 | 0.60 | 0.61 | 0.58 | 0.44 | 0.66 | 0.55 | 0.65 | 0.47 | 1.06 | 0.25 | 0.82 | 0.62 | 0.73 | 0.80 | 0.32 | 0.35 | 0.63 | 0.43 | 0.47 | 0.65 | 0.65 | 0.58 | |
| L-Alanine | 2.14 | 2.12 | 1.86 | 1.62 | 2.28 | 1.84 | 1.92 | 1.87 | 2.08 | 2.09 | 2.07 | 1.97 | 1.83 | 2.02 | 1.83 | 1.82 | 1.83 | 2.03 | 1.98 | 2.00 | 1.81 | 1.86 | 2.12 | 2.29 | 1.73 | 1.92 | 2.00 | 2.25 | 2.09 | 2.04 | 1.90 | 2.10 | 1.73 | 2.26 | 2.01 | 2.03 | 1.99 | |
| L-Cysteine | 0.04 | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | 0.01 | 0.03 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.01 | 0.02 | |
| Linoleic acid | 0.18 | 0.25 | 0.25 | 0.22 | 0.10 | 0.20 | 0.19 | 0.21 | 0.05 | 0.06 | 0.17 | 0.18 | 0.21 | 0.19 | 0.21 | 0.24 | 0.15 | 0.13 | 0.20 | 0.24 | 0.15 | 0.16 | 0.18 | 0.21 | 0.10 | 0.14 | 0.27 | 0.14 | 0.20 | 0.08 | 0.06 | 0.16 | 0.14 | 0.19 | 0.17 | 0.19 | 0.22 | |
| L-Lactic acid | 4.12 | 3.42 | 3.31 | 2.99 | 3.67 | 3.16 | 4.38 | 3.53 | 2.46 | 2.32 | 4.04 | 4.31 | 3.77 | 4.51 | 4.27 | 4.96 | 5.09 | 4.97 | 4.41 | 5.45 | 5.00 | 4.35 | 4.89 | 3.92 | 1.41 | 3.63 | 4.81 | 4.49 | 4.27 | 1.30 | 2.97 | 4.17 | 3.94 | 3.49 | 3.82 | 4.39 | 4.27 | |
| L-Threonine | 0.32 | 0.26 | 0.23 | 0.33 | 0.35 | 0.19 | 0.22 | 0.20 | 0.19 | 0.17 | 0.30 | 0.23 | 0.18 | 0.29 | 0.18 | 0.16 | 0.24 | 0.26 | 0.23 | 0.37 | 0.26 | 0.24 | 0.29 | 0.30 | 0.07 | 0.19 | 0.11 | 0.20 | 0.19 | 0.15 | 0.38 | 0.23 | 0.17 | 0.31 | 0.10 | 0.29 | 0.23 | |
| L-Valine | 1.53 | 1.25 | 1.37 | 1.57 | 1.96 | 1.37 | 1.97 | 1.63 | 1.05 | 1.06 | 1.36 | 1.36 | 1.02 | 1.47 | 1.47 | 1.26 | 1.44 | 1.62 | 1.69 | 1.71 | 1.51 | 1.38 | 1.92 | 1.17 | 1.02 | 1.30 | 1.08 | 1.80 | 1.46 | 0.95 | 1.06 | 1.65 | 1.33 | 1.46 | 1.08 | 1.48 | 1.19 | |
| Malic acid | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| m-Cresol | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.10 | 0.02 | 0.01 | |
| Methyl stearate | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.04 | 0.01 | 0.01 | |
| Monosaccharides 10 | 0.05 | 0.02 | 0.10 | 0.21 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.08 | 0.04 | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.06 | 0.00 | 0.13 | 0.03 | 1.27 | 2.36 | 0.01 | 1.74 | 0.01 | 1.45 | 0.12 | 0.62 | 0.01 | 0.28 | 0.25 | 0.27 | |
| Monosaccharides 4 | 0.52 | 0.32 | 0.48 | 0.38 | 0.69 | 0.40 | 0.61 | 0.47 | 0.30 | 0.35 | 0.41 | 0.41 | 0.40 | 0.39 | 0.54 | 0.59 | 0.56 | 0.54 | 0.41 | 0.29 | 0.49 | 0.47 | 0.45 | 0.30 | 0.25 | 0.39 | 0.17 | 0.18 | 0.30 | 0.13 | 0.19 | 0.44 | 0.43 | 0.37 | 0.19 | 0.48 | 0.26 | |
| Monosaccharides 5 | 0.78 | 0.22 | 0.92 | 0.85 | 1.01 | 0.73 | 0.51 | 0.44 | 0.26 | 0.24 | 0.42 | 0.48 | 0.55 | 0.24 | 0.73 | 0.26 | 0.62 | 0.28 | 0.46 | 0.13 | 0.24 | 0.25 | 0.16 | 0.80 | 1.09 | 0.59 | 0.57 | 0.45 | 0.35 | 1.63 | 0.40 | 0.54 | 0.82 | 1.43 | 0.75 | 0.69 | 0.60 | |
| Monosaccharides 6 | 0.55 | 0.16 | 0.61 | 0.93 | 0.61 | 0.57 | 0.35 | 0.31 | 0.26 | 0.26 | 0.45 | 0.48 | 0.50 | 0.30 | 0.74 | 0.28 | 0.65 | 0.32 | 0.50 | 0.19 | 0.27 | 0.30 | 0.21 | 0.76 | 0.85 | 0.59 | 0.56 | 0.45 | 0.34 | 1.30 | 0.36 | 0.54 | 0.81 | 1.33 | 0.72 | 0.66 | 0.61 | |
| Monosaccharides 7 | 0.23 | 0.19 | 0.37 | 0.66 | 0.26 | 0.57 | 0.18 | 0.23 | 0.12 | 0.11 | 0.20 | 0.24 | 0.20 | 0.19 | 0.36 | 0.22 | 0.26 | 0.21 | 0.35 | 0.15 | 0.17 | 0.23 | 0.25 | 0.36 | 0.53 | 0.41 | 0.21 | 0.23 | 0.22 | 0.96 | 0.29 | 0.34 | 0.58 | 0.71 | 0.36 | 0.40 | 0.34 | |
| Monosaccharides 8 | 6.04 | 5.99 | 6.48 | 5.95 | 6.59 | 6.27 | 5.83 | 5.89 | 5.65 | 5.58 | 5.38 | 5.32 | 5.28 | 5.25 | 5.78 | 5.21 | 5.56 | 5.11 | 5.62 | 4.49 | 5.08 | 5.33 | 5.63 | 5.62 | 6.57 | 5.68 | 5.67 | 5.72 | 5.01 | 8.43 | 5.54 | 5.78 | 6.18 | 6.29 | 5.83 | 5.48 | 5.71 | |
| Monosaccharides 9 | 3.59 | 3.68 | 7.43 | 5.12 | 5.09 | 5.06 | 3.89 | 3.86 | 2.46 | 2.27 | 2.67 | 2.65 | 2.98 | 2.53 | 3.96 | 2.38 | 3.44 | 2.49 | 3.22 | 1.90 | 2.18 | 2.96 | 3.07 | 4.00 | 3.50 | 3.69 | 2.81 | 2.66 | 2.50 | 8.83 | 2.71 | 3.20 | 4.54 | 5.30 | 3.85 | 3.82 | 3.34 | |
| Monostearin | 0.04 | 0.03 | 0.08 | 0.13 | 0.07 | 0.05 | 0.05 | 0.06 | 0.24 | 0.25 | 0.12 | 0.13 | 0.14 | 0.16 | 0.12 | 0.11 | 0.17 | 0.14 | 0.13 | 0.14 | 0.15 | 0.18 | 0.23 | 0.19 | 0.09 | 0.11 | 0.11 | 0.11 | 0.17 | 0.09 | 0.12 | 0.12 | 0.11 | 0.07 | 0.71 | 0.16 | 0.15 | |
| Myo-Inositol | 0.19 | 0.15 | 0.28 | 0.18 | 0.14 | 0.15 | 0.11 | 0.14 | 0.08 | 0.07 | 0.10 | 0.11 | 0.23 | 0.28 | 0.15 | 0.18 | 0.10 | 0.14 | 0.14 | 0.16 | 0.12 | 0.38 | 0.17 | 0.13 | 0.08 | 0.10 | 0.06 | 0.08 | 0.54 | 0.09 | 0.40 | 0.16 | 0.14 | 0.23 | 0.72 | 0.28 | 0.38 | |
| Myristic acid | 0.04 | 0.05 | 0.05 | 0.04 | 0.02 | 0.03 | 0.04 | 0.04 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.02 | 0.03 | 0.05 | 0.02 | 0.04 | 0.01 | 0.02 | 0.02 | 0.03 | 0.04 | 0.03 | 0.03 | 0.03 | |
| N-(2-Acetamido)iminodiacetic acid | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.03 | |
| Octanoic acid | 0.03 | 0.05 | 0.02 | 0.03 | 0.04 | 0.02 | 0.03 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.08 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.02 | 0.09 | 0.02 | 0.05 | 0.05 | 0.04 | 0.03 | 0.12 | |
| Oleic acid | 0.02 | 0.03 | 0.06 | 0.03 | 0.01 | 0.02 | 0.01 | 0.03 | 0.01 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.01 | 0.02 | 0.03 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | |
| Palmitic acid | 1.44 | 1.44 | 2.30 | 1.72 | 1.00 | 1.37 | 1.45 | 1.86 | 0.77 | 0.75 | 1.45 | 1.48 | 1.59 | 1.42 | 1.63 | 1.60 | 1.19 | 1.23 | 1.35 | 1.57 | 1.28 | 1.31 | 1.61 | 1.63 | 0.90 | 1.22 | 1.88 | 1.46 | 1.47 | 0.57 | 0.96 | 1.25 | 1.25 | 1.57 | 1.33 | 1.46 | 1.60 | |
| Palmitoleic acid | 0.02 | 0.03 | 0.04 | 0.02 | 0.00 | 0.03 | 0.01 | 0.02 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.03 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.04 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | |
| Phosphoric acid | 1.82 | 1.69 | 1.35 | 1.02 | 0.94 | 1.78 | 1.86 | 1.70 | 4.30 | 5.07 | 1.26 | 1.33 | 1.04 | 1.57 | 1.39 | 1.42 | 1.41 | 1.38 | 1.53 | 1.64 | 1.21 | 1.48 | 1.50 | 1.39 | 0.94 | 1.21 | 1.27 | 1.08 | 1.68 | 1.37 | 1.63 | 1.21 | 1.14 | 1.30 | 1.10 | 1.05 | 1.32 | |
| Pyruvic Acid | 0.32 | 0.23 | 0.26 | 0.28 | 0.35 | 0.26 | 0.23 | 0.25 | 0.20 | 0.17 | 0.31 | 0.34 | 0.25 | 0.39 | 0.31 | 0.33 | 0.32 | 0.34 | 0.35 | 0.32 | 0.40 | 0.29 | 0.38 | 0.32 | 0.15 | 0.28 | 0.37 | 0.33 | 0.33 | 0.15 | 0.34 | 0.29 | 0.35 | 0.27 | 0.16 | 0.39 | 0.28 | |
| (R)-3-Hydroxybutyric acid | 0.18 | 0.14 | 0.27 | 0.47 | 0.13 | 0.32 | 0.14 | 0.58 | 0.11 | 0.10 | 0.19 | 0.24 | 0.16 | 0.28 | 0.45 | 0.28 | 0.15 | 0.25 | 0.21 | 0.37 | 0.38 | 0.24 | 0.42 | 0.25 | 0.07 | 0.33 | 0.13 | 0.35 | 0.64 | 0.17 | 0.17 | 0.22 | 0.38 | 0.16 | 0.11 | 0.46 | 0.18 | |
| Stearic acid | 0.40 | 0.35 | 0.45 | 0.48 | 0.38 | 0.33 | 0.39 | 0.50 | 0.27 | 0.27 | 0.46 | 0.40 | 0.48 | 0.39 | 0.48 | 0.36 | 0.36 | 0.38 | 0.40 | 0.41 | 0.38 | 0.37 | 0.46 | 0.46 | 0.24 | 0.35 | 0.39 | 0.47 | 0.40 | 0.17 | 0.33 | 0.38 | 0.36 | 0.43 | 0.49 | 0.40 | 0.42 | |
| Thioglycolic acid | 0.08 | 0.08 | 0.07 | 0.05 | 0.04 | 0.08 | 0.09 | 0.08 | 0.17 | 0.19 | 0.06 | 0.07 | 0.05 | 0.08 | 0.07 | 0.07 | 0.07 | 0.07 | 0.07 | 0.08 | 0.06 | 0.07 | 0.07 | 0.08 | 0.05 | 0.06 | 0.07 | 0.05 | 0.08 | 0.07 | 0.08 | 0.06 | 0.06 | 0.06 | 0.06 | 0.05 | 0.07 | |
| Unknown 3 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | |
| Vaccenic acid | 0.31 | 0.53 | 1.13 | 0.46 | 0.09 | 0.32 | 0.26 | 0.42 | 0.08 | 0.07 | 0.20 | 0.32 | 0.36 | 0.34 | 0.38 | 0.55 | 0.20 | 0.20 | 0.25 | 0.32 | 0.22 | 0.30 | 0.32 | 0.44 | 0.15 | 0.24 | 0.45 | 0.25 | 0.38 | 0.13 | 0.10 | 0.22 | 0.21 | 0.22 | 0.23 | 0.34 | 0.53 | |
| Valeramide | 0.08 | 0.08 | 0.07 | 0.07 | 0.08 | 0.07 | 0.08 | 0.08 | 0.11 | 0.10 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.07 | 0.08 | 0.07 | 0.07 | 0.07 | 0.07 | 0.08 | 0.09 | 0.07 | 0.08 | 0.07 | 0.07 | 0.08 | 0.08 | 0.08 | 0.08 | |
| Xanthotoxin | 0.38 | 0.35 | 0.43 | 0.47 | 0.35 | 0.33 | 0.37 | 0.47 | 0.26 | 0.25 | 0.44 | 0.38 | 0.45 | 0.37 | 0.47 | 0.36 | 0.33 | 0.36 | 0.35 | 0.37 | 0.36 | 0.36 | 0.44 | 0.44 | 0.23 | 0.33 | 0.37 | 0.46 | 0.38 | 0.18 | 0.31 | 0.36 | 0.34 | 0.42 | 0.46 | 0.38 | 0.39 |
Factors:
| F1 | Label:AM | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F2 | Label:AM | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F3 | Label:AM | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0 |
| F4 | Label:AM | Gender:0 | HTA:1 | Obesity:2 | Dyspnoea:0 |
| F5 | Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F6 | Label:AM | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F7 | Label:AM | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0 |
| F8 | Label:AM | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F9 | Label:Healthy | Gender:0 | HTA:NA | Obesity:NA | Dyspnoea:NA |
| F10 | Label:Healthy | Gender:1 | HTA:NA | Obesity:NA | Dyspnoea:NA |
| F11 | Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F12 | Label:Moderate | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F13 | Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F14 | Label:Moderate | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1 |
| F15 | Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0 |
| F16 | Label:Moderate | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:1 |
| F17 | Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F18 | Label:Moderate | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F19 | Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:0 |
| F20 | Label:Moderate | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1 |
| F21 | Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F22 | Label:Moderate | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1 |
| F23 | Label:Moderate | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1 |
| F24 | Label:NA | Gender:NA | HTA:NA | Obesity:NA | Dyspnoea:NA |
| F25 | Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F26 | Label:Severe | Gender:0 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F27 | Label:Severe | Gender:0 | HTA:0 | Obesity:1 | Dyspnoea:1 |
| F28 | Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F29 | Label:Severe | Gender:0 | HTA:1 | Obesity:0 | Dyspnoea:1 |
| F30 | Label:Severe | Gender:0 | HTA:1 | Obesity:1 | Dyspnoea:0 |
| F31 | Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:0 |
| F32 | Label:Severe | Gender:1 | HTA:0 | Obesity:0 | Dyspnoea:1 |
| F33 | Label:Severe | Gender:1 | HTA:0 | Obesity:1 | Dyspnoea:1 |
| F34 | Label:Severe | Gender:1 | HTA:0 | Obesity:2 | Dyspnoea:0 |
| F35 | Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:0 |
| F36 | Label:Severe | Gender:1 | HTA:1 | Obesity:0 | Dyspnoea:1 |
| F37 | Label:Severe | Gender:1 | HTA:1 | Obesity:1 | Dyspnoea:1 |