Clustering data with hclust algorithm for (Study ST002194)
(Analysis AN003592)| Metabolite | Structure | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Azelaic acid | ME533539 | 7.04 | 23.63 | 8.45 | 0.29 | 8.24 | 5.37 | 0.21 | 12.43 | 0.27 | 0.27 | 0.23 | 0.24 | 0.23 | 0.25 | 0.20 | 0.41 | 0.26 | 0.23 | 0.24 | 0.29 | 0.24 | 0.28 | 0.24 | 0.30 | 0.23 | 0.22 | 0.15 | 0.16 | 0.36 | 0.24 | 0.19 | 0.25 | 0.25 | 0.17 | 0.31 | 0.25 | 0.25 |
| glucaric acid | ME533551 | 1.27 | 1.27 | 2.95 | 1.15 | 1.67 | 1.10 | 0.94 | 1.13 | 0.10 | 0.05 | 0.42 | 0.55 | 1.01 | 0.54 | 1.13 | 0.75 | 0.68 | 0.37 | 0.49 | 0.24 | 0.21 | 0.53 | 0.42 | 1.95 | 0.47 | 3.56 | 0.78 | 0.53 | 1.39 | 1.14 | 16.26 | 0.52 | 0.85 | 2.04 | 2.92 | 1.42 | 1.36 |
| Monosaccharides 10 | ME533550 | 0.22 | 0.08 | 0.44 | 0.99 | 0.03 | 0.02 | 0.01 | 0.05 | 0.05 | 0.04 | 0.01 | 0.36 | 0.19 | 0.09 | 0.01 | 0.01 | 0.03 | 0.02 | 0.02 | 0.03 | 0.01 | 0.29 | 0.01 | 0.63 | 0.12 | 5.88 | 10.96 | 0.04 | 8.08 | 0.05 | 6.75 | 0.55 | 2.90 | 0.06 | 1.28 | 1.16 | 1.27 |
| Octanoic acid | ME533522 | 1.03 | 1.54 | 0.59 | 0.79 | 1.17 | 0.66 | 0.92 | 0.75 | 0.75 | 0.83 | 0.81 | 0.81 | 0.77 | 0.66 | 0.69 | 0.61 | 0.70 | 0.71 | 0.61 | 0.65 | 0.71 | 0.61 | 0.83 | 2.54 | 1.00 | 1.01 | 0.76 | 0.84 | 0.68 | 0.62 | 2.75 | 0.76 | 1.51 | 1.50 | 1.11 | 0.78 | 3.68 |
| 1.2.4-Butanetriol | ME533530 | 1.29 | 0.69 | 0.71 | 1.09 | 1.43 | 1.08 | 0.76 | 0.84 | 0.42 | 0.58 | 0.92 | 0.86 | 1.25 | 0.91 | 1.04 | 0.64 | 0.75 | 0.72 | 0.97 | 0.83 | 0.67 | 0.84 | 0.48 | 1.31 | 1.51 | 0.87 | 0.80 | 0.73 | 2.42 | 2.19 | 0.92 | 0.95 | 1.18 | 1.48 | 2.62 | 1.53 | 1.15 |
| Monosaccharides 9 | ME533549 | 1.12 | 1.15 | 2.32 | 1.60 | 1.59 | 1.58 | 1.22 | 1.21 | 0.77 | 0.71 | 0.84 | 0.83 | 0.93 | 0.79 | 1.24 | 0.74 | 1.08 | 0.78 | 1.01 | 0.60 | 0.68 | 0.93 | 0.96 | 1.25 | 1.09 | 1.16 | 0.88 | 0.83 | 0.78 | 2.76 | 0.85 | 1.00 | 1.42 | 1.66 | 1.20 | 1.19 | 1.05 |
| Monosaccharides 7 | ME533547 | 0.81 | 0.69 | 1.32 | 2.37 | 0.92 | 2.02 | 0.66 | 0.80 | 0.43 | 0.40 | 0.71 | 0.86 | 0.70 | 0.67 | 1.30 | 0.80 | 0.92 | 0.75 | 1.23 | 0.53 | 0.59 | 0.83 | 0.88 | 1.28 | 1.88 | 1.48 | 0.75 | 0.84 | 0.79 | 3.43 | 1.03 | 1.19 | 2.06 | 2.52 | 1.27 | 1.42 | 1.21 |
| Monosaccharides 5 | ME533545 | 1.57 | 0.44 | 1.84 | 1.70 | 2.01 | 1.47 | 1.03 | 0.88 | 0.51 | 0.49 | 0.84 | 0.96 | 1.10 | 0.49 | 1.45 | 0.53 | 1.24 | 0.56 | 0.92 | 0.26 | 0.48 | 0.51 | 0.32 | 1.61 | 2.17 | 1.18 | 1.14 | 0.89 | 0.71 | 3.26 | 0.80 | 1.08 | 1.65 | 2.86 | 1.50 | 1.38 | 1.19 |
| Monosaccharides 6 | ME533546 | 1.13 | 0.33 | 1.25 | 1.90 | 1.26 | 1.16 | 0.71 | 0.63 | 0.54 | 0.53 | 0.92 | 0.97 | 1.02 | 0.62 | 1.51 | 0.58 | 1.34 | 0.65 | 1.02 | 0.39 | 0.56 | 0.61 | 0.44 | 1.56 | 1.73 | 1.21 | 1.14 | 0.93 | 0.70 | 2.65 | 0.74 | 1.11 | 1.65 | 2.72 | 1.48 | 1.35 | 1.26 |
| Malic acid | ME533532 | 1.05 | 0.72 | 1.50 | 0.82 | 0.92 | 0.80 | 0.88 | 1.33 | 0.36 | 0.34 | 0.71 | 0.78 | 0.83 | 0.93 | 1.05 | 0.82 | 0.98 | 0.87 | 0.97 | 1.24 | 0.93 | 0.96 | 0.90 | 4.43 | 0.23 | 0.56 | 1.09 | 0.75 | 1.31 | 0.24 | 0.30 | 0.87 | 1.03 | 0.62 | 0.74 | 1.05 | 1.00 |
| Citric acid | ME533540 | 2.14 | 1.88 | 3.92 | 1.93 | 2.57 | 1.11 | 1.72 | 2.51 | 0.63 | 0.57 | 0.76 | 1.07 | 1.19 | 1.17 | 1.86 | 0.79 | 0.93 | 0.82 | 0.72 | 1.22 | 0.97 | 1.10 | 0.92 | 1.19 | 0.27 | 0.61 | 0.58 | 1.05 | 0.97 | 0.34 | 0.86 | 0.73 | 0.61 | 0.78 | 0.62 | 0.89 | 0.98 |
| Palmitoleic acid | ME533552 | 0.96 | 1.72 | 2.70 | 1.14 | 0.20 | 1.74 | 0.77 | 1.45 | 0.29 | 0.26 | 0.87 | 1.27 | 1.03 | 1.53 | 0.86 | 1.65 | 0.82 | 0.67 | 1.07 | 1.23 | 0.82 | 0.97 | 0.78 | 1.07 | 0.92 | 1.52 | 2.16 | 0.56 | 1.62 | 0.94 | 0.47 | 0.81 | 0.83 | 1.05 | 0.44 | 1.20 | 1.15 |
| Oleic acid | ME533561 | 0.91 | 1.59 | 3.21 | 1.56 | 0.42 | 1.03 | 0.86 | 1.59 | 0.30 | 0.23 | 0.84 | 1.16 | 1.32 | 1.25 | 1.41 | 1.19 | 0.80 | 0.82 | 1.20 | 1.23 | 0.86 | 1.06 | 0.94 | 1.56 | 0.46 | 1.08 | 1.51 | 0.52 | 1.38 | 0.45 | 0.38 | 0.87 | 0.79 | 1.06 | 1.02 | 1.20 | 1.30 |
| Elaidic acid | ME533560 | 1.08 | 1.89 | 4.01 | 1.66 | 0.32 | 1.14 | 0.91 | 1.49 | 0.28 | 0.26 | 0.70 | 1.12 | 1.28 | 1.19 | 1.35 | 1.96 | 0.71 | 0.71 | 0.89 | 1.14 | 0.77 | 1.07 | 1.14 | 1.54 | 0.55 | 0.84 | 1.59 | 0.90 | 1.34 | 0.45 | 0.36 | 0.78 | 0.74 | 0.77 | 0.83 | 1.21 | 1.87 |
| Vaccenic acid | ME533559 | 1.08 | 1.89 | 4.00 | 1.65 | 0.32 | 1.14 | 0.91 | 1.49 | 0.28 | 0.26 | 0.70 | 1.12 | 1.28 | 1.19 | 1.35 | 1.96 | 0.71 | 0.71 | 0.89 | 1.14 | 0.77 | 1.07 | 1.15 | 1.54 | 0.55 | 0.84 | 1.59 | 0.90 | 1.34 | 0.45 | 0.36 | 0.78 | 0.74 | 0.77 | 0.83 | 1.21 | 1.87 |
| Alpha-Ketoglutaric acid | ME533537 | 0.84 | 1.20 | 2.40 | 0.97 | 0.76 | 1.95 | 0.93 | 0.70 | 0.38 | 0.34 | 0.80 | 0.83 | 0.81 | 0.91 | 0.84 | 0.80 | 1.21 | 1.33 | 1.38 | 1.34 | 1.42 | 0.94 | 2.45 | 0.90 | 0.33 | 0.57 | 1.80 | 0.55 | 0.84 | 0.34 | 0.43 | 1.43 | 0.71 | 0.58 | 2.72 | 1.27 | 1.15 |
| Glyceric acid | ME533529 | 0.47 | 0.39 | 0.43 | 1.24 | 0.53 | 1.22 | 0.34 | 0.76 | 0.27 | 0.49 | 0.41 | 0.66 | 0.73 | 0.92 | 0.92 | 0.86 | 0.65 | 0.95 | 0.84 | 2.48 | 0.75 | 1.30 | 1.77 | 0.62 | 0.24 | 0.48 | 0.37 | 0.53 | 2.20 | 0.59 | 0.85 | 1.37 | 1.09 | 0.76 | 1.29 | 2.36 | 1.89 |
| L-Cysteine | ME533536 | 2.23 | 1.89 | 1.18 | 1.00 | 1.88 | 1.03 | 0.71 | 1.63 | 0.75 | 0.68 | 0.90 | 0.77 | 1.01 | 1.11 | 1.14 | 1.25 | 0.83 | 1.01 | 0.71 | 0.93 | 0.99 | 1.13 | 0.72 | 0.85 | 0.31 | 0.61 | 0.79 | 0.45 | 2.94 | 0.40 | 0.65 | 0.81 | 0.60 | 0.70 | 1.72 | 0.86 | 0.95 |
| 2-Hydroxyisovaleric acid (OR) 2-hydroxyisocaproic acid | ME533518 | 0.59 | 0.45 | 0.54 | 0.89 | 1.12 | 0.56 | 0.72 | 1.89 | 0.43 | 0.54 | 0.70 | 0.82 | 0.54 | 0.65 | 1.00 | 0.79 | 0.86 | 1.10 | 0.83 | 2.25 | 1.02 | 1.28 | 3.10 | 0.64 | 0.54 | 0.98 | 1.15 | 1.54 | 0.84 | 0.63 | 0.79 | 1.28 | 1.62 | 1.79 | 0.91 | 1.68 | 1.09 |
| (R)-3-Hydroxybutyric acid | ME533517 | 0.69 | 0.55 | 1.03 | 1.78 | 0.50 | 1.21 | 0.53 | 2.20 | 0.40 | 0.39 | 0.72 | 0.92 | 0.61 | 1.07 | 1.70 | 1.05 | 0.59 | 0.96 | 0.81 | 1.40 | 1.44 | 0.90 | 1.60 | 0.95 | 0.26 | 1.24 | 0.51 | 1.31 | 2.42 | 0.65 | 0.63 | 0.83 | 1.43 | 0.61 | 0.40 | 1.75 | 0.68 |
| 2-Aminobutanoic acid | ME533503 | 0.79 | 0.86 | 0.73 | 2.16 | 0.72 | 1.18 | 0.97 | 1.26 | 0.53 | 0.53 | 0.79 | 0.98 | 0.67 | 1.19 | 1.54 | 0.94 | 0.82 | 1.03 | 1.01 | 1.88 | 1.20 | 0.85 | 2.08 | 1.06 | 0.02 | 0.99 | 0.52 | 1.22 | 1.06 | 0.01 | 0.57 | 1.21 | 0.95 | 2.10 | 0.36 | 1.46 | 0.90 |
| 2-Hydroxybutyric acid | ME533515 | 0.71 | 0.51 | 1.11 | 1.91 | 0.61 | 0.94 | 0.55 | 1.21 | 0.44 | 0.39 | 0.68 | 0.87 | 0.65 | 0.94 | 1.62 | 1.06 | 0.82 | 1.05 | 1.01 | 1.74 | 0.87 | 0.84 | 1.80 | 1.10 | 0.70 | 1.16 | 0.64 | 1.28 | 1.24 | 1.58 | 0.61 | 1.23 | 1.51 | 1.79 | 0.40 | 1.53 | 0.94 |
| Phosphoric acid | ME533525 | 1.07 | 1.00 | 0.80 | 0.60 | 0.56 | 1.05 | 1.10 | 1.00 | 2.53 | 2.99 | 0.74 | 0.78 | 0.61 | 0.93 | 0.82 | 0.84 | 0.83 | 0.82 | 0.90 | 0.96 | 0.71 | 0.87 | 0.88 | 0.82 | 0.56 | 0.71 | 0.75 | 0.64 | 0.99 | 0.81 | 0.96 | 0.71 | 0.67 | 0.77 | 0.65 | 0.62 | 0.78 |
| Thioglycolic acid | ME533524 | 1.07 | 1.07 | 0.93 | 0.66 | 0.57 | 1.05 | 1.09 | 1.02 | 2.20 | 2.43 | 0.77 | 0.84 | 0.69 | 0.98 | 0.89 | 0.92 | 0.86 | 0.82 | 0.90 | 1.01 | 0.73 | 0.92 | 0.90 | 1.04 | 0.60 | 0.76 | 0.85 | 0.66 | 1.04 | 0.86 | 1.00 | 0.73 | 0.71 | 0.79 | 0.74 | 0.67 | 0.89 |
| Boric acid | ME533500 | 0.46 | 0.22 | 0.36 | 0.79 | 0.14 | 0.48 | 0.18 | 0.43 | 1.20 | 1.12 | 1.34 | 1.06 | 0.87 | 1.31 | 0.79 | 1.21 | 1.20 | 1.30 | 1.06 | 1.61 | 1.20 | 1.17 | 1.01 | 0.81 | 0.32 | 0.80 | 0.77 | 1.27 | 1.10 | 0.34 | 0.75 | 0.92 | 0.59 | 0.89 | 0.94 | 1.06 | 0.85 |
| Cholesterol | ME533566 | 0.40 | 0.34 | 0.30 | 1.10 | 0.58 | 0.33 | 0.36 | 0.37 | 0.85 | 0.98 | 1.14 | 1.00 | 1.11 | 1.07 | 1.19 | 0.99 | 1.06 | 1.17 | 1.14 | 1.01 | 1.26 | 1.03 | 1.06 | 1.37 | 0.60 | 0.76 | 1.06 | 1.29 | 0.95 | 0.30 | 0.53 | 1.12 | 0.90 | 1.05 | 1.34 | 1.19 | 1.03 |
| fumaric acid | ME533528 | 0.95 | 1.87 | 1.07 | 0.65 | 1.24 | 1.34 | 0.98 | 1.19 | 0.35 | 0.41 | 0.80 | 0.89 | 1.15 | 1.15 | 1.69 | 0.99 | 1.09 | 1.20 | 0.84 | 1.34 | 1.18 | 0.83 | 1.25 | 1.67 | 0.32 | 0.76 | 1.22 | 0.82 | 0.99 | 0.30 | 0.31 | 1.00 | 0.77 | 0.54 | 0.43 | 1.43 | 0.92 |
| Glycerol | ME533523 | 0.97 | 1.25 | 1.67 | 1.07 | 0.64 | 0.95 | 0.83 | 0.86 | 0.89 | 0.87 | 0.79 | 1.07 | 1.03 | 1.18 | 1.18 | 1.21 | 0.79 | 0.72 | 0.86 | 1.10 | 0.78 | 0.97 | 0.97 | 2.18 | 0.53 | 0.79 | 1.45 | 0.76 | 1.19 | 0.79 | 1.01 | 0.74 | 0.86 | 0.83 | 1.30 | 0.92 | 1.48 |
| Linoleic acid | ME533558 | 1.13 | 1.55 | 1.57 | 1.33 | 0.62 | 1.23 | 1.18 | 1.29 | 0.31 | 0.35 | 1.06 | 1.08 | 1.27 | 1.18 | 1.31 | 1.45 | 0.94 | 0.81 | 1.22 | 1.46 | 0.95 | 1.00 | 1.13 | 1.32 | 0.65 | 0.83 | 1.65 | 0.87 | 1.20 | 0.51 | 0.40 | 0.97 | 0.85 | 1.19 | 1.02 | 1.14 | 1.38 |
| Myristic acid | ME533544 | 1.51 | 1.55 | 1.67 | 1.27 | 0.77 | 1.16 | 1.27 | 1.23 | 0.59 | 0.58 | 1.00 | 1.12 | 1.08 | 1.11 | 1.14 | 1.28 | 0.92 | 0.84 | 0.83 | 0.95 | 0.93 | 0.93 | 1.12 | 1.24 | 0.66 | 0.98 | 1.79 | 0.80 | 1.21 | 0.51 | 0.78 | 0.84 | 0.86 | 1.43 | 0.95 | 1.09 | 1.10 |
| "2,3-diphosphoglyceric acid" | ME533557 | 0.63 | 0.95 | 0.53 | 0.46 | 1.54 | 0.42 | 0.60 | 0.86 | 0.53 | 0.53 | 1.26 | 1.10 | 1.13 | 1.36 | 1.20 | 1.11 | 1.16 | 1.18 | 1.10 | 1.16 | 1.18 | 0.92 | 0.97 | 1.39 | 0.26 | 0.70 | 0.82 | 0.99 | 1.33 | 0.21 | 0.51 | 1.06 | 0.62 | 0.53 | 0.89 | 1.15 | 1.15 |
| Glycine | ME533527 | 1.00 | 1.48 | 1.05 | 0.62 | 1.03 | 1.09 | 0.85 | 0.71 | 0.93 | 0.64 | 0.89 | 0.87 | 0.90 | 1.15 | 0.62 | 0.85 | 0.90 | 0.94 | 0.74 | 1.11 | 0.92 | 1.09 | 1.23 | 2.32 | 0.35 | 0.81 | 0.46 | 0.95 | 1.27 | 0.81 | 1.07 | 0.89 | 0.67 | 1.17 | 1.21 | 1.14 | 0.99 |
| L-5-Oxoproline | ME533534 | 1.20 | 1.18 | 0.64 | 0.82 | 0.94 | 0.90 | 0.93 | 1.01 | 0.51 | 0.51 | 0.84 | 0.97 | 1.06 | 1.11 | 1.03 | 1.01 | 1.03 | 0.98 | 0.74 | 1.11 | 0.92 | 1.09 | 0.79 | 1.78 | 0.42 | 1.38 | 1.05 | 1.24 | 1.35 | 0.54 | 0.59 | 1.06 | 0.72 | 0.80 | 1.10 | 1.10 | 0.97 |
| L-Threonine | ME533526 | 1.35 | 1.12 | 0.99 | 1.39 | 1.47 | 0.82 | 0.95 | 0.85 | 0.81 | 0.72 | 1.27 | 0.97 | 0.78 | 1.22 | 0.77 | 0.68 | 1.01 | 1.09 | 0.97 | 1.55 | 1.09 | 1.02 | 1.24 | 1.26 | 0.28 | 0.80 | 0.45 | 0.84 | 0.79 | 0.65 | 1.61 | 0.97 | 0.71 | 1.30 | 0.44 | 1.21 | 0.98 |
| Butylbenzene | ME533509 | 0.95 | 0.77 | 0.79 | 0.65 | 1.13 | 0.93 | 1.01 | 0.90 | 1.60 | 1.38 | 0.93 | 1.00 | 0.87 | 0.93 | 0.83 | 0.89 | 1.10 | 0.98 | 0.93 | 1.12 | 0.91 | 0.94 | 0.90 | 1.00 | 1.18 | 0.83 | 0.70 | 0.81 | 1.22 | 1.18 | 0.82 | 0.92 | 0.90 | 0.88 | 0.80 | 0.83 | 0.79 |
| "2,3-dihydroxy-butane" | ME533507 | 0.96 | 1.09 | 0.81 | 0.88 | 1.15 | 0.88 | 1.10 | 1.00 | 1.00 | 1.08 | 1.08 | 1.07 | 1.02 | 0.95 | 1.02 | 0.88 | 1.02 | 1.02 | 1.15 | 0.93 | 0.97 | 0.88 | 1.13 | 1.03 | 0.96 | 0.86 | 1.16 | 1.24 | 0.90 | 0.67 | 1.17 | 1.00 | 0.91 | 1.53 | 1.35 | 0.97 | 1.01 |
| Benzoic Acid | ME533521 | 1.14 | 0.87 | 0.88 | 0.93 | 1.26 | 0.82 | 1.18 | 1.00 | 0.93 | 1.04 | 1.09 | 1.05 | 1.00 | 0.90 | 0.98 | 0.99 | 0.90 | 0.97 | 1.04 | 0.94 | 0.98 | 0.84 | 1.28 | 1.12 | 1.14 | 0.86 | 0.95 | 1.23 | 0.87 | 0.57 | 1.28 | 1.05 | 1.05 | 1.69 | 1.13 | 1.01 | 1.07 |
| Monosaccharides 8 | ME533548 | 1.09 | 1.08 | 1.17 | 1.07 | 1.19 | 1.13 | 1.05 | 1.06 | 1.02 | 1.00 | 0.97 | 0.96 | 0.95 | 0.95 | 1.04 | 0.94 | 1.00 | 0.92 | 1.01 | 0.81 | 0.91 | 0.96 | 1.01 | 1.01 | 1.18 | 1.02 | 1.02 | 1.03 | 0.90 | 1.52 | 1.00 | 1.04 | 1.11 | 1.13 | 1.05 | 0.99 | 1.03 |
| Carbamic acid | ME533502 | 1.07 | 1.17 | 0.83 | 0.88 | 1.12 | 1.18 | 0.97 | 0.99 | 0.99 | 0.96 | 0.98 | 1.35 | 0.91 | 1.01 | 0.97 | 0.91 | 0.98 | 0.99 | 0.98 | 0.99 | 0.95 | 1.02 | 0.98 | 0.93 | 0.84 | 0.89 | 0.89 | 0.93 | 1.08 | 0.90 | 0.93 | 0.96 | 0.87 | 0.88 | 1.16 | 0.93 | 0.99 |
| Formamide | ME533501 | 1.05 | 1.23 | 0.84 | 0.88 | 1.13 | 1.18 | 0.98 | 0.99 | 0.98 | 0.95 | 0.93 | 1.53 | 0.89 | 0.99 | 0.97 | 0.90 | 0.94 | 0.96 | 0.90 | 0.99 | 0.93 | 1.00 | 1.00 | 0.90 | 0.85 | 0.89 | 0.83 | 0.89 | 1.14 | 0.91 | 0.98 | 0.94 | 0.84 | 0.78 | 1.14 | 0.92 | 0.96 |
| 2-Ketoisovaleric acid | ME533513 | 0.92 | 0.96 | 0.89 | 0.96 | 1.06 | 0.86 | 0.94 | 0.98 | 1.40 | 1.25 | 0.99 | 0.97 | 1.01 | 0.96 | 1.04 | 1.00 | 0.97 | 1.02 | 1.05 | 0.99 | 0.94 | 0.93 | 0.98 | 0.90 | 0.79 | 0.90 | 0.87 | 0.99 | 1.13 | 0.70 | 1.00 | 0.90 | 0.95 | 0.98 | 0.95 | 0.95 | 0.96 |
| Valeramide | ME533510 | 0.93 | 1.00 | 0.89 | 0.92 | 1.03 | 0.85 | 0.96 | 0.98 | 1.40 | 1.28 | 1.00 | 1.00 | 1.02 | 0.95 | 1.01 | 0.98 | 0.98 | 1.01 | 1.03 | 0.95 | 0.94 | 0.92 | 0.96 | 0.92 | 0.83 | 0.91 | 0.89 | 0.95 | 1.12 | 0.85 | 1.04 | 0.89 | 0.91 | 0.98 | 0.99 | 0.93 | 0.96 |
| 1-Octadecanol | ME533556 | 1.13 | 1.18 | 0.77 | 1.12 | 1.12 | 1.02 | 0.97 | 0.96 | 1.02 | 1.06 | 1.01 | 1.02 | 1.01 | 1.05 | 1.08 | 0.99 | 0.95 | 0.92 | 1.02 | 0.94 | 0.84 | 1.00 | 0.94 | 1.01 | 0.92 | 0.96 | 0.93 | 1.22 | 0.96 | 1.00 | 1.03 | 1.01 | 1.05 | 1.04 | 1.08 | 0.96 | 1.01 |
| "1,2 - dihydroxy-cyclohexene" | ME533514 | 1.05 | 1.02 | 0.74 | 0.80 | 0.97 | 0.91 | 0.92 | 0.87 | 1.17 | 1.18 | 1.04 | 1.00 | 0.90 | 0.99 | 0.92 | 1.00 | 0.90 | 1.01 | 0.98 | 0.94 | 0.91 | 0.95 | 1.11 | 0.92 | 0.94 | 1.02 | 0.96 | 1.28 | 1.06 | 1.14 | 0.96 | 1.02 | 0.88 | 1.16 | 1.16 | 0.99 | 0.99 |
| L-Alanine | ME533512 | 1.07 | 1.06 | 0.93 | 0.81 | 1.14 | 0.92 | 0.96 | 0.94 | 1.04 | 1.05 | 1.04 | 0.99 | 0.92 | 1.01 | 0.92 | 0.91 | 0.92 | 1.02 | 0.99 | 1.00 | 0.91 | 0.93 | 1.07 | 1.15 | 0.87 | 0.96 | 1.00 | 1.13 | 1.05 | 1.02 | 0.96 | 1.05 | 0.87 | 1.14 | 1.01 | 1.02 | 1.00 |
| N-(2-Acetamido)iminodiacetic acid | ME533542 | 0.86 | 0.99 | 0.90 | 1.32 | 0.86 | 1.00 | 1.09 | 0.88 | 0.70 | 0.67 | 0.91 | 1.15 | 0.89 | 1.20 | 1.31 | 1.09 | 1.14 | 0.99 | 1.07 | 0.93 | 0.91 | 1.33 | 1.31 | 0.98 | 0.71 | 0.98 | 0.70 | 0.78 | 1.16 | 0.76 | 0.86 | 0.93 | 0.93 | 1.15 | 1.21 | 1.03 | 0.93 |
| Unknown 3 | ME533541 | 0.89 | 1.17 | 0.76 | 1.33 | 0.88 | 0.69 | 1.27 | 0.79 | 0.56 | 0.51 | 0.74 | 1.30 | 0.96 | 1.15 | 1.35 | 1.13 | 1.20 | 1.00 | 0.87 | 0.77 | 0.84 | 1.37 | 1.37 | 1.02 | 0.47 | 1.16 | 0.68 | 0.85 | 1.18 | 0.60 | 0.86 | 0.85 | 0.96 | 0.82 | 1.54 | 1.08 | 0.98 |
| Palmitic acid | ME533553 | 1.08 | 1.08 | 1.73 | 1.30 | 0.75 | 1.03 | 1.09 | 1.40 | 0.58 | 0.57 | 1.09 | 1.11 | 1.20 | 1.07 | 1.23 | 1.21 | 0.90 | 0.92 | 1.02 | 1.18 | 0.96 | 0.98 | 1.21 | 1.23 | 0.68 | 0.92 | 1.42 | 1.10 | 1.11 | 0.43 | 0.72 | 0.94 | 0.94 | 1.18 | 1.00 | 1.10 | 1.20 |
| Stearic acid | ME533562 | 1.04 | 0.92 | 1.18 | 1.27 | 1.00 | 0.87 | 1.02 | 1.30 | 0.72 | 0.71 | 1.22 | 1.04 | 1.25 | 1.01 | 1.26 | 0.93 | 0.93 | 0.99 | 1.04 | 1.08 | 1.00 | 0.97 | 1.20 | 1.20 | 0.62 | 0.91 | 1.02 | 1.24 | 1.05 | 0.46 | 0.88 | 1.00 | 0.95 | 1.12 | 1.28 | 1.05 | 1.09 |
| Xanthotoxin | ME533563 | 1.05 | 0.96 | 1.19 | 1.29 | 0.97 | 0.90 | 1.02 | 1.30 | 0.70 | 0.70 | 1.21 | 1.04 | 1.25 | 1.03 | 1.29 | 0.98 | 0.92 | 0.98 | 0.97 | 1.03 | 0.99 | 0.98 | 1.21 | 1.22 | 0.63 | 0.92 | 1.03 | 1.25 | 1.04 | 0.49 | 0.86 | 1.00 | 0.95 | 1.15 | 1.26 | 1.06 | 1.08 |
| Glycolic acid | ME533508 | 0.98 | 1.15 | 0.88 | 0.90 | 1.12 | 0.89 | 0.84 | 0.89 | 0.70 | 0.75 | 1.10 | 1.02 | 1.02 | 1.01 | 0.97 | 1.10 | 1.05 | 1.15 | 0.82 | 1.47 | 1.20 | 1.14 | 1.03 | 0.92 | 0.66 | 0.86 | 0.93 | 1.20 | 1.03 | 0.69 | 0.73 | 1.03 | 0.95 | 1.32 | 1.03 | 1.06 | 1.00 |
| Iminodiacetic Acid | ME533531 | 0.97 | 1.20 | 0.76 | 1.00 | 0.94 | 1.08 | 0.90 | 0.94 | 0.73 | 0.67 | 0.97 | 1.02 | 0.97 | 1.11 | 1.06 | 1.03 | 1.18 | 0.99 | 0.93 | 1.21 | 1.09 | 1.31 | 1.27 | 0.85 | 0.66 | 0.92 | 0.76 | 1.07 | 1.23 | 0.70 | 0.87 | 1.00 | 0.88 | 0.95 | 1.17 | 1.06 | 1.06 |
| Pyruvic Acid | ME533504 | 1.04 | 0.73 | 0.84 | 0.89 | 1.13 | 0.85 | 0.76 | 0.81 | 0.64 | 0.57 | 0.99 | 1.12 | 0.80 | 1.26 | 1.00 | 1.08 | 1.05 | 1.09 | 1.12 | 1.04 | 1.30 | 0.95 | 1.23 | 1.03 | 0.48 | 0.92 | 1.21 | 1.07 | 1.05 | 0.50 | 1.11 | 0.95 | 1.13 | 0.88 | 0.51 | 1.26 | 0.90 |
| 2.3-Butanediol | ME533505 | 1.02 | 0.88 | 0.86 | 0.80 | 0.95 | 0.82 | 1.06 | 0.90 | 0.67 | 0.63 | 1.00 | 1.05 | 0.95 | 1.09 | 1.04 | 1.17 | 1.19 | 1.18 | 1.07 | 1.25 | 1.19 | 1.06 | 1.16 | 0.95 | 0.37 | 0.90 | 1.14 | 1.09 | 1.05 | 0.34 | 0.78 | 1.02 | 0.96 | 0.89 | 0.96 | 1.06 | 1.05 |
| L-Lactic acid | ME533506 | 1.01 | 0.84 | 0.81 | 0.73 | 0.90 | 0.77 | 1.07 | 0.86 | 0.60 | 0.57 | 0.99 | 1.05 | 0.92 | 1.10 | 1.05 | 1.21 | 1.24 | 1.22 | 1.08 | 1.33 | 1.22 | 1.06 | 1.20 | 0.96 | 0.34 | 0.89 | 1.18 | 1.10 | 1.05 | 0.32 | 0.73 | 1.02 | 0.96 | 0.85 | 0.93 | 1.07 | 1.04 |
| Monosaccharides 4 | ME533543 | 1.25 | 0.78 | 1.15 | 0.92 | 1.67 | 0.96 | 1.46 | 1.13 | 0.72 | 0.84 | 0.98 | 0.99 | 0.97 | 0.93 | 1.29 | 1.42 | 1.34 | 1.29 | 0.99 | 0.71 | 1.17 | 1.14 | 1.08 | 0.72 | 0.60 | 0.95 | 0.40 | 0.43 | 0.73 | 0.31 | 0.46 | 1.07 | 1.02 | 0.89 | 0.47 | 1.16 | 0.62 |
| 2-ketoisocaproic acid | ME533519 | 0.97 | 0.74 | 0.87 | 1.68 | 1.49 | 1.45 | 1.81 | 1.45 | 0.76 | 0.83 | 0.80 | 1.04 | 0.71 | 0.86 | 1.53 | 0.77 | 1.03 | 1.12 | 1.76 | 0.76 | 0.85 | 0.97 | 1.30 | 0.72 | 1.00 | 0.79 | 0.79 | 1.47 | 1.00 | 0.62 | 0.55 | 1.10 | 1.44 | 1.30 | 0.50 | 1.22 | 0.77 |
| Glyceraldehyde | ME533520 | 1.08 | 0.95 | 0.91 | 1.15 | 1.31 | 1.15 | 1.80 | 1.63 | 0.80 | 0.78 | 0.88 | 1.04 | 0.79 | 0.90 | 1.25 | 0.83 | 1.05 | 1.19 | 1.35 | 0.91 | 1.01 | 0.92 | 1.27 | 0.86 | 0.56 | 0.85 | 0.77 | 1.17 | 0.96 | 0.65 | 0.53 | 1.16 | 1.17 | 1.10 | 0.58 | 1.15 | 0.79 |
| L-Valine | ME533511 | 1.10 | 0.90 | 0.98 | 1.13 | 1.41 | 0.99 | 1.42 | 1.17 | 0.75 | 0.76 | 0.98 | 0.98 | 0.73 | 1.06 | 1.06 | 0.91 | 1.03 | 1.17 | 1.21 | 1.23 | 1.09 | 0.99 | 1.38 | 0.84 | 0.74 | 0.94 | 0.78 | 1.29 | 1.05 | 0.68 | 0.76 | 1.19 | 0.96 | 1.05 | 0.77 | 1.06 | 0.86 |
| Erythritol | ME533533 | 0.81 | 0.94 | 0.91 | 0.82 | 0.63 | 0.79 | 0.60 | 4.84 | 0.47 | 0.55 | 0.59 | 0.83 | 1.20 | 1.24 | 0.70 | 0.93 | 0.72 | 0.71 | 0.65 | 0.94 | 0.61 | 1.41 | 0.87 | 1.18 | 0.38 | 0.51 | 0.77 | 0.64 | 2.83 | 0.49 | 1.40 | 0.73 | 0.81 | 0.64 | 3.68 | 1.38 | 1.77 |
| Glycerol 3-phosphate | ME533538 | 1.55 | 0.69 | 0.78 | 0.92 | 1.25 | 0.66 | 1.18 | 1.25 | 0.34 | 0.36 | 1.01 | 1.03 | 2.03 | 0.89 | 1.14 | 1.06 | 0.78 | 0.93 | 1.07 | 0.62 | 0.79 | 0.76 | 0.64 | 1.72 | 0.67 | 0.74 | 1.80 | 1.14 | 0.95 | 0.26 | 0.39 | 1.17 | 0.80 | 2.33 | 5.63 | 1.13 | 1.14 |
| Methyl stearate | ME533555 | 0.75 | 0.23 | 0.21 | 0.86 | 0.68 | 0.30 | 0.51 | 0.47 | 0.42 | 0.45 | 1.76 | 1.20 | 1.59 | 0.88 | 1.56 | 0.89 | 1.05 | 0.91 | 1.50 | 0.48 | 0.93 | 0.66 | 0.48 | 2.02 | 0.99 | 0.81 | 1.12 | 1.07 | 0.66 | 0.38 | 0.62 | 1.08 | 0.95 | 2.92 | 7.05 | 1.11 | 0.84 |
| "1,4 - Butanediol" | ME533535 | 1.11 | 0.99 | 0.99 | 0.89 | 0.85 | 1.00 | 0.62 | 0.96 | 0.50 | 0.46 | 0.73 | 0.79 | 1.22 | 1.24 | 0.80 | 0.88 | 0.75 | 0.79 | 0.80 | 1.03 | 0.72 | 1.40 | 0.83 | 0.95 | 0.45 | 0.59 | 0.68 | 0.69 | 2.77 | 0.54 | 1.18 | 0.84 | 0.81 | 0.87 | 4.59 | 1.33 | 1.77 |
| Myo-Inositol | ME533554 | 1.04 | 0.82 | 1.52 | 0.95 | 0.73 | 0.83 | 0.59 | 0.73 | 0.40 | 0.40 | 0.54 | 0.60 | 1.25 | 1.49 | 0.80 | 0.97 | 0.56 | 0.74 | 0.73 | 0.87 | 0.65 | 2.04 | 0.90 | 0.72 | 0.42 | 0.51 | 0.31 | 0.42 | 2.92 | 0.47 | 2.13 | 0.84 | 0.77 | 1.26 | 3.86 | 1.52 | 2.03 |
| m-Cresol | ME533516 | 1.30 | 1.05 | 0.82 | 0.57 | 1.31 | 0.90 | 1.57 | 1.08 | 1.14 | 0.91 | 0.92 | 0.97 | 1.05 | 1.01 | 1.02 | 0.67 | 0.70 | 0.81 | 0.65 | 0.63 | 0.75 | 1.77 | 0.81 | 0.79 | 0.77 | 0.92 | 0.67 | 0.91 | 1.58 | 0.45 | 0.93 | 0.85 | 0.87 | 0.64 | 6.14 | 1.02 | 0.90 |
| Glycerol monostearate | ME533565 | 0.27 | 0.20 | 0.53 | 0.86 | 0.48 | 0.31 | 0.34 | 0.36 | 1.60 | 1.63 | 0.81 | 0.89 | 0.90 | 1.07 | 0.76 | 0.75 | 1.09 | 0.91 | 0.89 | 0.90 | 1.02 | 1.21 | 1.50 | 1.26 | 0.58 | 0.74 | 0.75 | 0.76 | 1.10 | 0.61 | 0.81 | 0.80 | 0.70 | 0.44 | 4.68 | 1.09 | 0.97 |
| Monostearin | ME533564 | 0.27 | 0.20 | 0.53 | 0.86 | 0.48 | 0.31 | 0.35 | 0.37 | 1.60 | 1.63 | 0.81 | 0.89 | 0.90 | 1.07 | 0.76 | 0.75 | 1.09 | 0.91 | 0.89 | 0.90 | 1.02 | 1.21 | 1.49 | 1.26 | 0.58 | 0.74 | 0.74 | 0.76 | 1.10 | 0.61 | 0.81 | 0.80 | 0.70 | 0.44 | 4.68 | 1.09 | 0.97 |
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 |