Clustering data with hclust algorithm for (Study ST004147)
(Analysis AN006876)| 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 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 | F48 | F49 | F50 | F51 | F52 | F53 | F54 | F55 | F56 | F57 | F58 | F59 | F60 | F61 | F62 | F63 | F64 | F65 | F66 | F67 | F68 | F69 | F70 | F71 | F72 | F73 | F74 | F75 | F76 | F77 | F78 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| beta-glucose | ME1104535 | NA | NA | NA | -0.19 | -0.21 | NA | -0.02 | NA | -0.08 | -0.03 | NA | NA | -0.02 | -0.05 | NA | -0.01 | -0.10 | -0.18 | -0.19 | -0.02 | NA | -0.15 | -3726.49 | -0.05 | NA | -0.01 | -0.17 | -0.07 | -0.03 | NA | -0.05 | -0.20 | -0.15 | -0.11 | -0.13 | -0.04 | -0.01 | -0.27 | -0.05 | -0.23 | -0.01 | NA | -0.02 | -0.04 | NA | NA | -0.89 | -0.27 | -0.32 | NA | -0.32 | -0.06 | -0.07 | -0.10 | -0.01 | -1.92 | -0.30 | -0.48 | -0.05 | NA | -0.09 | -0.23 | NA | -0.01 | -0.07 | -0.03 | -1.48 | -3804.39 | -0.38 | -0.33 | -0.01 | -0.15 | NA | -0.03 | -0.12 | -0.03 | -0.26 | -0.44 |
| hippurate_4 | ME1104548 | 0.01 | 0.00 | 0.02 | 0.02 | 0.02 | 0.01 | 0.03 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.03 | 0.02 | 0.02 | 0.01 | 0.00 | 0.03 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.02 | 198.73 | NA | 0.00 | 0.00 | 0.02 | 0.01 | 0.00 | 0.02 | 0.00 | NA | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | NA | 0.00 | 0.00 | 86.35 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 123.60 | NA | 0.00 | NA | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 47.41 | 0.01 | NA | 0.01 | 0.01 | NA | 0.00 | 0.00 | NA | 141.37 | 0.02 | 0.01 | 0.01 | 0.02 |
| dimethylamine | ME1104517 | 0.00 | NA | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 2.25 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.01 | 0.00 | 195.91 | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | 0.01 | 0.00 | NA | 0.00 | 0.00 | NA | NA | NA | NA | NA | 0.00 | 0.00 | NA | NA | 0.00 | 0.00 | NA | 0.01 | 0.01 | 0.00 | NA | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.03 | 0.01 | 0.00 | 20.40 |
| trigonelline_2 | ME1104545 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 97.85 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 54.78 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 66.49 | 0.00 | 0.00 | 0.00 | 0.00 | 39.42 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 63.37 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.01 | 0.00 | NA | 19.23 | 0.00 | 0.00 | 0.00 | 0.00 |
| 3-hydroxyisobutyrate | ME1104500 | 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 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 77.88 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 |
| hippurate_2 | ME1104543 | 0.01 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.04 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 77.42 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 |
| formate | ME1104547 | 0.01 | 0.00 | 0.01 | 0.01 | 0.10 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 77.56 | NA | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 |
| leucine, isoleucine | ME1104498 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 1.19 | 0.00 | 0.00 | 0.00 | 0.00 | 35.86 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 40.22 | 24.85 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | NA | 4.80 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 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 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 37.45 | 0.00 | 0.00 |
| alpha-glucose | ME1104536 | NA | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 30.46 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 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 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 5.40 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 42.01 |
| tyrosine_1 | ME1104538 | 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 | 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 | 7.57 | 0.00 | 0.00 | 0.00 | 28.77 | 0.00 | 0.00 | 30.87 | 10.73 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
| imidazole_2 | ME1104546 | 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 | NA | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 20.24 | 0.00 | 0.00 | 11.93 | 8.85 | 0.00 | 0.00 | 16.92 | 13.78 | 0.00 | 0.00 | 0.00 | 12.47 | NA | 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 | NA | 0.00 | 0.00 | 0.66 | NA | 0.00 | 0.00 | 0.00 | 0.00 |
| trigonelline_3 | ME1104549 | 0.00 | 0.00 | 0.00 | 7.56 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 7.31 | NA | 0.00 | 0.00 | NA | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 8.83 | 0.00 | NA | NA | 0.00 | 0.00 | NA | NA | 0.00 | 11.24 | 2.35 | 0.00 | NA | 0.00 | 0.00 | 0.00 | NA | NA | NA | NA | 22.57 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | NA | 0.00 | NA | NA | 0.00 | 0.00 | 1.86 | 0.00 | 0.00 | 16.43 | NA | 0.00 | NA | NA | 0.00 |
| fucose, 3-amino isobutyrate, 3-hydroxybutyrate | ME1104502 | 1.02 | 0.17 | 0.47 | 0.19 | 0.87 | 0.99 | 0.39 | 0.67 | 0.61 | 1.06 | 0.48 | 0.17 | 0.35 | 0.81 | 0.39 | 0.73 | 1.13 | 0.61 | 1.00 | 0.31 | 0.45 | 1.01 | 0.46 | 0.77 | 0.34 | 0.40 | 0.38 | 0.20 | 0.13 | 0.34 | 0.22 | 0.89 | 0.61 | 0.22 | 0.53 | 0.43 | 0.10 | 0.42 | 0.45 | 0.65 | 0.60 | 0.37 | 0.21 | 1.26 | 0.39 | 0.12 | 0.38 | 0.72 | 3.97 | 0.24 | 0.12 | 0.46 | 0.27 | 1.51 | 0.09 | 1.35 | 0.28 | 0.86 | 0.91 | 1.25 | 1.00 | 1.16 | 0.66 | 0.60 | 0.35 | 4.67 | 1.59 | 0.71 | 0.30 | 0.16 | 0.46 | 22.04 | 0.23 | 0.17 | 0.90 | 0.28 | 0.37 | 5.57 |
| pyruvate | ME1104513 | 0.65 | 0.22 | 1.19 | 1.19 | 1.67 | 0.77 | 0.70 | 1.15 | 0.51 | 1.53 | 0.51 | 0.13 | 0.66 | 1.49 | 0.73 | 1.41 | 1.79 | 1.06 | 1.00 | 0.57 | 0.52 | 1.01 | 0.61 | 0.93 | 0.47 | 0.44 | 0.43 | 0.12 | 0.32 | 0.42 | 0.23 | 1.02 | 0.76 | 0.36 | 0.86 | 0.64 | 0.16 | 0.28 | 0.93 | 2.45 | 0.31 | 0.64 | 0.38 | 1.84 | 0.94 | 0.14 | 0.12 | 0.58 | 4.08 | 0.27 | 0.12 | 0.61 | 0.40 | 0.79 | 0.04 | 0.40 | 0.40 | 1.09 | 0.86 | 0.96 | 0.41 | 0.49 | 0.56 | 0.99 | 0.13 | 2.86 | 2.42 | 0.62 | 0.26 | 0.06 | 0.48 | 15.51 | 0.16 | 0.39 | 1.01 | 0.68 | 0.63 | 3.47 |
| glutamine_2 | ME1104514 | 0.61 | 0.27 | 0.73 | 0.88 | 2.26 | 1.07 | 0.66 | 1.01 | 0.73 | 0.92 | 0.27 | 0.21 | 0.49 | 1.46 | 1.05 | 1.72 | 2.87 | 1.49 | 0.99 | 0.49 | 0.34 | 0.91 | 0.62 | 0.70 | 0.66 | 0.76 | 0.49 | 0.34 | 0.38 | 0.71 | 0.33 | 1.33 | 1.05 | 0.32 | 0.69 | 0.68 | 0.22 | 0.35 | 0.82 | 1.45 | 0.65 | 0.69 | 0.47 | 1.67 | 0.99 | 0.17 | 0.13 | 1.50 | 3.44 | 0.25 | 0.15 | 1.22 | 0.69 | 0.65 | 0.12 | 0.46 | 0.38 | 1.67 | 1.31 | 1.05 | 0.23 | 0.75 | 0.59 | 0.57 | 0.29 | 3.25 | 3.60 | 0.93 | 0.22 | 0.13 | 0.89 | 9.54 | 0.44 | 0.68 | 1.27 | 0.35 | 0.85 | 2.43 |
| glutarate_2 | ME1104512 | 0.65 | 0.18 | 0.97 | 0.92 | 1.86 | 0.65 | 0.80 | 0.95 | 0.49 | 1.13 | 0.46 | 0.12 | 0.71 | 1.36 | 0.57 | 1.22 | 1.61 | 0.74 | 1.08 | 0.51 | 0.51 | 0.56 | 0.45 | 0.98 | 0.42 | 0.48 | 0.37 | 0.12 | 0.24 | 0.36 | 0.25 | 0.82 | 0.80 | 0.26 | 0.68 | 0.62 | 0.13 | 0.35 | 0.82 | 0.97 | 0.32 | 0.54 | 0.44 | 1.56 | 0.78 | 0.12 | 0.16 | 0.61 | 7.11 | 0.28 | 0.11 | 0.68 | 0.26 | 1.80 | 0.05 | 1.18 | 0.40 | 0.99 | 0.73 | 0.71 | 0.21 | 1.63 | 0.70 | 1.24 | 0.15 | 5.18 | 2.23 | 0.81 | 0.57 | 0.27 | 0.46 | 11.02 | 0.17 | 0.28 | 1.26 | 0.54 | 0.44 | 4.79 |
| choline | ME1104522 | 0.68 | 0.56 | 1.31 | 0.75 | 2.26 | 1.58 | 0.96 | 1.02 | 0.63 | 0.62 | 0.97 | 0.25 | 0.67 | 1.09 | 0.54 | 1.52 | 1.85 | 0.55 | 0.99 | 0.46 | 0.70 | 0.49 | 0.70 | 0.42 | 0.49 | 0.43 | 0.34 | 0.31 | 0.36 | 0.34 | 0.22 | 1.21 | 1.24 | 0.45 | 0.84 | 0.52 | 0.27 | 0.40 | 0.62 | 1.13 | 0.35 | 0.85 | 0.32 | 1.10 | 0.48 | 0.23 | 0.17 | 2.43 | 2.07 | 0.34 | 0.17 | 1.15 | 1.12 | 0.44 | 0.03 | 0.17 | 0.78 | 1.51 | 2.17 | 1.51 | 0.56 | 2.14 | 0.77 | 0.71 | 0.24 | 3.97 | 3.48 | 3.00 | 0.16 | 0.18 | 1.35 | 1.29 | 0.40 | 0.45 | 1.10 | 0.52 | 0.66 | 8.91 |
| lysine_3 | ME1104519 | 0.87 | 0.56 | 1.16 | 0.20 | 1.89 | 0.86 | 0.47 | 1.74 | 1.17 | 0.49 | 0.78 | 0.24 | 0.36 | 2.18 | 1.30 | 0.91 | 4.57 | 0.90 | 0.57 | 0.41 | 0.47 | 0.94 | 0.59 | 0.32 | 0.75 | 0.84 | 0.82 | 0.25 | 0.28 | 0.66 | 0.41 | 0.83 | 1.23 | 0.29 | 0.51 | 0.57 | 0.12 | 0.71 | 1.03 | NA | 1.12 | 0.79 | 0.36 | 0.90 | 1.86 | 0.20 | 0.11 | 1.03 | 1.38 | 0.20 | 0.17 | 0.63 | 0.34 | 0.28 | 0.28 | NA | 0.39 | 1.04 | 1.56 | 2.31 | 1.07 | 0.64 | 0.78 | 0.53 | 0.31 | 1.26 | 1.53 | 1.53 | 0.50 | 0.04 | 0.59 | 1.00 | 0.34 | 0.68 | 1.85 | 0.39 | 1.50 | 15.36 |
| histidine, phosphocholine, glycerophosphocholine | ME1104523 | 0.38 | 0.34 | 0.70 | 0.23 | 0.56 | 0.72 | 0.94 | 0.66 | 0.60 | 0.94 | 0.68 | 0.20 | 0.50 | 0.62 | 0.56 | 1.37 | 0.52 | 1.33 | 0.97 | 0.27 | 0.27 | 0.79 | 0.79 | 0.79 | 0.44 | 0.58 | 0.63 | 0.22 | 0.44 | 0.48 | 0.21 | 0.83 | 0.85 | 0.41 | 0.54 | 0.59 | 0.31 | 0.22 | 0.46 | 0.93 | 0.32 | 0.44 | 0.70 | 1.26 | 1.00 | 0.31 | 0.23 | 5.22 | 0.71 | 0.35 | 0.20 | 0.51 | 1.78 | 0.23 | 0.05 | NA | 1.02 | 2.73 | 3.57 | 1.71 | 0.45 | 1.59 | 1.11 | 0.49 | 0.24 | 5.98 | 9.80 | 2.14 | 0.24 | 0.10 | 2.85 | 0.43 | 0.38 | 1.42 | 1.05 | 0.64 | 0.76 | 2.18 |
| 3-methly-2-oxovalerate | ME1104501 | -0.03 | -0.01 | -0.06 | -0.02 | -0.09 | -0.02 | -0.04 | -0.03 | -0.03 | -0.04 | -0.02 | -0.01 | -0.01 | -0.03 | -0.02 | -0.03 | -0.06 | -0.01 | -0.03 | -0.01 | -0.02 | -0.03 | -0.02 | -0.02 | -0.01 | -0.01 | -0.01 | -0.00 | -0.01 | -0.01 | -0.01 | -0.04 | -0.05 | -0.01 | -0.03 | -0.03 | -0.00 | -0.01 | -0.02 | -0.01 | -0.01 | -0.02 | -0.01 | -0.02 | -0.01 | -0.01 | -0.00 | -0.02 | -0.05 | -0.01 | -0.01 | -0.03 | -0.01 | -0.01 | -0.00 | -0.00 | -0.01 | -0.03 | -0.06 | -0.07 | -0.03 | -0.01 | -0.03 | -0.02 | -0.01 | -0.01 | -0.04 | -0.02 | -0.01 | NA | -0.02 | -0.10 | -0.01 | -0.01 | -0.05 | -0.01 | -0.03 | -0.03 |
| glutarate_1 | ME1104508 | -0.03 | -0.01 | -0.04 | -0.02 | -0.06 | -0.03 | -0.03 | -0.03 | -0.03 | -0.04 | -0.02 | -0.01 | -0.02 | -0.04 | -0.01 | -0.05 | -0.06 | -0.03 | -0.04 | -0.02 | -0.02 | -0.03 | -0.01 | -0.02 | -0.02 | -0.02 | -0.02 | -0.00 | -0.01 | -0.02 | -0.01 | -0.04 | -0.03 | -0.01 | -0.03 | -0.03 | -0.00 | -0.01 | -0.03 | -0.03 | -0.02 | -0.02 | -0.02 | -0.07 | -0.02 | -0.02 | -0.00 | -0.01 | -0.07 | -0.01 | -0.00 | -0.03 | -0.01 | -0.01 | -0.00 | NA | -0.01 | -0.01 | -0.03 | -0.03 | -0.14 | -0.01 | -0.16 | -0.02 | -0.00 | -0.02 | -0.04 | -0.02 | -0.01 | NA | -0.02 | -0.03 | -0.01 | -0.01 | -0.05 | -0.01 | -0.03 | -0.03 |
| threonine | ME1104504 | 0.94 | 0.21 | 1.03 | 0.42 | 1.35 | 0.85 | 0.77 | 0.80 | 0.74 | 0.94 | 1.26 | 0.20 | 0.55 | 0.90 | 1.18 | 1.41 | 1.64 | 3.64 | 0.90 | 0.61 | 0.45 | 7.14 | 2.40 | 0.70 | 0.41 | 0.69 | 0.45 | 0.26 | 0.31 | 0.60 | 0.58 | 1.39 | 0.87 | 0.44 | 0.46 | 0.70 | 0.31 | 0.42 | 0.52 | 1.03 | 0.39 | 1.65 | 0.47 | 1.53 | 0.63 | 0.20 | 0.40 | 0.93 | 2.39 | 0.28 | 0.22 | 0.76 | 0.92 | 0.27 | 0.05 | 0.11 | 1.35 | 5.71 | 2.23 | 1.88 | 0.65 | 0.36 | 0.50 | 0.37 | 0.74 | 0.85 | 3.85 | 0.66 | 0.37 | 0.15 | 0.63 | 1.20 | 0.41 | 1.01 | 0.74 | 0.51 | 0.88 | 1.31 |
| 2-hydroxyisobutyrate | ME1104505 | 0.93 | 0.39 | 2.46 | 1.68 | 3.65 | 1.17 | 1.12 | 0.93 | 0.84 | 1.23 | 0.71 | 0.20 | 0.74 | 1.12 | 2.92 | 2.04 | 2.05 | 1.29 | 1.36 | 0.72 | 0.72 | 0.32 | 0.85 | 0.81 | 0.40 | 0.46 | 0.43 | 0.14 | 0.38 | 0.62 | 0.22 | 1.51 | 1.08 | 0.28 | 1.15 | 0.91 | 0.15 | 0.63 | 1.14 | 1.04 | 0.43 | 0.84 | 0.37 | 2.08 | 0.61 | 0.35 | 0.16 | 0.40 | 9.88 | 0.27 | 0.18 | 2.65 | 0.20 | 0.29 | 0.05 | 0.08 | 0.46 | 0.46 | 0.74 | 1.30 | 0.50 | 0.19 | 0.98 | 0.66 | 0.13 | 0.64 | 2.16 | 0.43 | 0.59 | 0.10 | 0.57 | 1.45 | 0.24 | 0.53 | 2.27 | 0.55 | 0.86 | 2.50 |
| urea | ME1104537 | 0.39 | 0.86 | 0.83 | 0.11 | 0.69 | 1.45 | NA | 1.68 | 3.33 | 0.81 | 1.41 | 0.87 | 0.63 | 0.63 | NA | 2.09 | 2.70 | 2.53 | NA | 0.42 | 0.77 | 0.56 | 0.51 | 1.82 | 0.53 | 1.61 | 0.38 | 0.19 | 1.13 | 0.96 | 0.73 | 0.12 | 0.35 | 1.41 | 0.35 | 1.55 | 0.22 | 0.73 | 0.33 | 0.40 | 0.87 | 0.12 | 1.36 | 5.41 | 0.39 | 1.02 | 0.83 | 2.34 | 2.78 | 0.56 | 1.28 | 0.53 | 1.02 | 0.25 | 0.27 | 0.68 | 1.05 | 2.55 | 0.68 | 1.16 | 2.26 | 0.77 | 0.57 | 1.27 | 0.19 | 0.53 | 4.38 | 0.50 | 0.15 | 0.20 | 1.07 | 0.82 | 0.98 | 2.58 | NA | 0.46 | 0.27 | NA |
| hippurate, glycolate, serine | ME1104531 | 0.80 | 0.49 | 1.12 | 1.93 | 2.12 | 2.19 | 1.07 | 0.79 | 1.01 | 1.38 | 1.12 | 0.27 | 1.42 | 4.15 | 1.18 | 2.30 | 2.43 | 1.56 | 1.36 | 0.91 | 0.47 | 0.72 | 1.50 | 2.04 | 0.50 | 0.59 | 1.88 | 0.47 | 0.49 | 0.79 | 0.37 | 1.50 | 0.79 | 1.07 | 1.33 | 1.42 | 0.19 | 1.39 | 1.15 | 1.12 | 1.26 | 0.85 | 0.36 | 2.29 | 0.45 | 0.19 | 0.20 | 1.02 | 3.67 | 0.51 | 0.22 | 1.05 | 0.31 | 0.33 | 0.06 | 0.18 | 0.53 | 0.77 | 0.56 | 0.68 | 0.60 | 0.90 | 0.59 | 0.77 | 0.21 | 1.41 | 1.72 | 0.39 | 1.25 | 0.18 | 0.40 | 0.68 | 0.29 | 0.63 | 0.96 | 1.02 | 0.54 | 0.65 |
| hippurate_1 | ME1104542 | 0.85 | 0.49 | 1.00 | 2.03 | 1.53 | 2.49 | 1.14 | 0.62 | 0.92 | 1.45 | 0.93 | 0.21 | 1.59 | 5.67 | 1.18 | 2.62 | 2.40 | 1.39 | 1.41 | 1.03 | 0.36 | 0.36 | 2.01 | 2.45 | 0.27 | 0.36 | 2.83 | 0.38 | 0.42 | 0.74 | 0.41 | 1.31 | 0.79 | 1.46 | 1.38 | 1.62 | 0.06 | 1.77 | 1.36 | 0.64 | 1.55 | 0.97 | 0.17 | 1.87 | 0.29 | 0.13 | 0.06 | 0.60 | 1.45 | 0.44 | 0.16 | 0.67 | 0.31 | 0.30 | 0.06 | 0.20 | 0.52 | 0.21 | 0.45 | 0.47 | 0.53 | 1.13 | 3.90 | 0.76 | 0.14 | 1.88 | 0.45 | 0.43 | 1.38 | 0.03 | 0.23 | 0.25 | 0.11 | 0.34 | 1.34 | 1.27 | 0.21 | 0.82 |
| hippurate_3 | ME1104544 | 0.87 | 0.52 | 1.00 | 2.09 | 1.31 | 2.75 | 1.16 | 0.61 | 1.22 | 1.56 | 0.96 | 0.23 | 1.72 | 6.09 | 1.16 | 2.83 | 2.49 | 1.47 | 1.41 | 1.04 | 0.39 | 0.35 | 2.09 | 3.08 | 0.30 | 0.35 | 3.05 | 0.44 | 0.49 | 0.79 | 0.44 | 1.33 | 0.79 | 1.79 | 1.44 | 1.76 | 0.07 | 2.01 | 1.41 | 0.65 | 1.72 | 0.94 | 0.16 | 2.75 | 0.28 | 0.11 | 0.16 | 0.70 | 1.50 | 0.49 | 0.17 | 0.63 | 0.29 | 0.32 | 0.08 | 0.21 | 0.54 | 0.13 | 0.44 | 0.40 | 0.44 | 1.33 | 0.41 | 0.86 | 0.17 | 1.97 | 0.53 | 0.44 | 1.43 | 0.05 | 0.21 | 0.23 | 0.12 | 0.35 | 0.30 | 1.38 | 0.07 | 0.20 |
| phenylalanine, N-phenlyacetylglycine | ME1104541 | 0.99 | 0.52 | 1.84 | 2.51 | 5.26 | 0.52 | 1.46 | 1.39 | 0.53 | 2.14 | 0.93 | 0.14 | 1.16 | 1.80 | 1.50 | 1.72 | 2.98 | 0.82 | 1.42 | 0.87 | 0.51 | 0.62 | 0.95 | 1.16 | 0.38 | 0.48 | 0.43 | 0.22 | 0.22 | 0.28 | 0.20 | 0.81 | 0.83 | 0.45 | 0.88 | 0.78 | 0.16 | 0.20 | 1.38 | 1.39 | 0.53 | 0.79 | 0.23 | 1.66 | 1.47 | 0.57 | 0.32 | 0.90 | 1.05 | 0.40 | 0.18 | 1.05 | 0.44 | 0.21 | 0.04 | 0.08 | 0.80 | 1.13 | 0.93 | 0.89 | 6.21 | 0.11 | 1.60 | 0.78 | 0.11 | 1.42 | 1.91 | 0.42 | 0.62 | 0.07 | 0.54 | 0.89 | 0.17 | 0.35 | 1.37 | 1.17 | 0.84 | 2.89 |
| tyrosine_2 | ME1104539 | 0.82 | 0.67 | 1.74 | 1.53 | 2.28 | 1.79 | 0.87 | 2.22 | 0.64 | 1.66 | 1.18 | 0.14 | 1.25 | 3.65 | 0.60 | 4.24 | 4.65 | 1.02 | 0.34 | 1.15 | 0.49 | 0.19 | 2.26 | 0.93 | 0.42 | 0.58 | 0.67 | 0.44 | 0.26 | 0.51 | 0.21 | 0.80 | 0.50 | 0.54 | 0.84 | 0.63 | 0.20 | 0.18 | 1.01 | 1.38 | 0.48 | 0.97 | 0.39 | 1.91 | 1.90 | 0.15 | 0.22 | 1.07 | 2.05 | 0.45 | 0.20 | 0.80 | 0.78 | 0.17 | 0.04 | 0.27 | 0.39 | 1.14 | 1.81 | 0.76 | 2.82 | 0.18 | 0.77 | 0.74 | 0.07 | 2.26 | 1.77 | 1.08 | 0.69 | 0.09 | 1.22 | 1.18 | 0.26 | 0.39 | 0.81 | 1.08 | 0.62 | 0.55 |
| trigonelline_1 | ME1104534 | 0.89 | 0.13 | 1.50 | 2.10 | 3.09 | 2.63 | 1.14 | 0.97 | 0.95 | 1.80 | 0.38 | 0.39 | 0.46 | 0.99 | 1.00 | 1.43 | 1.66 | 1.19 | 2.52 | 0.36 | 0.55 | 2.57 | 0.43 | 1.43 | 0.14 | 0.48 | 0.30 | 0.13 | 0.15 | 0.78 | 0.10 | 2.80 | 0.87 | 0.36 | 1.84 | 1.14 | 0.08 | 0.91 | 0.99 | 2.80 | 0.61 | 0.74 | 0.44 | 2.28 | 0.23 | 0.04 | 1.29 | 0.72 | 3.41 | 0.23 | 0.63 | 1.22 | 0.07 | 0.34 | NA | 1.93 | 0.37 | 0.91 | 0.58 | 0.47 | 0.60 | 0.45 | 0.61 | 0.76 | 0.19 | 0.86 | 2.42 | 0.65 | 0.78 | 0.55 | 0.56 | 1.58 | 0.08 | 0.30 | 2.37 | 0.53 | 2.63 | 1.19 |
| ethanolamine | ME1104521 | 0.87 | 0.62 | 1.30 | 0.68 | 1.88 | 1.58 | 1.02 | 0.97 | 1.26 | 0.88 | 0.66 | 0.44 | 0.70 | 1.46 | 0.54 | 1.73 | 1.95 | 1.98 | 1.20 | 0.55 | 0.53 | 1.01 | 1.01 | 1.95 | 0.76 | 1.02 | 0.27 | 0.42 | 0.56 | 1.05 | 0.37 | 0.97 | 0.68 | 0.52 | 0.87 | 1.46 | 0.26 | 0.52 | 0.85 | 1.35 | 0.75 | 0.57 | 0.99 | 2.69 | 0.59 | 0.37 | 0.26 | 1.72 | 3.23 | 0.40 | 0.33 | 1.10 | 0.54 | 0.35 | 0.06 | 0.03 | 0.46 | 1.74 | 0.72 | 1.08 | 0.85 | 0.66 | 0.65 | 0.83 | 0.19 | 1.06 | 3.46 | 1.03 | 0.54 | 0.18 | 0.73 | 1.10 | 0.42 | 1.07 | 2.52 | 0.36 | 0.91 | 4.75 |
| glucose_1 | ME1104525 | 0.72 | 0.33 | 1.42 | 0.91 | 3.20 | 0.97 | 1.53 | 0.88 | 0.71 | 1.08 | 0.68 | 0.22 | 0.60 | 1.19 | 0.85 | 1.21 | 1.32 | 1.25 | 1.13 | 0.39 | 0.48 | 0.89 | 0.69 | 1.03 | 0.45 | 0.52 | 0.47 | 0.17 | 0.41 | 0.60 | 0.19 | 1.40 | 1.21 | 0.40 | 1.04 | 0.82 | 0.29 | 0.44 | 0.78 | 1.13 | 0.56 | 0.83 | 0.52 | 1.28 | 0.84 | 0.36 | 0.34 | 1.23 | 3.92 | 0.26 | 0.15 | 1.42 | 0.41 | 0.75 | 0.08 | 0.21 | 1.13 | 1.29 | 1.11 | 1.60 | 0.98 | 0.86 | 0.95 | 0.56 | 0.18 | 2.27 | 6.09 | 0.72 | 0.50 | 0.31 | 0.63 | 1.90 | 0.33 | 0.77 | 1.98 | 1.21 | 1.29 | 4.17 |
| alanine | ME1104506 | 0.68 | 0.27 | 1.12 | 1.40 | 2.26 | 0.98 | 0.80 | 0.91 | 0.89 | 1.00 | 0.54 | 0.18 | 0.77 | 1.23 | 1.44 | 2.60 | 1.94 | 2.80 | 1.22 | 0.59 | 0.49 | 1.56 | 1.13 | 0.83 | 0.57 | 0.89 | 0.67 | 0.48 | 0.53 | 0.99 | 0.35 | 2.22 | 1.00 | 0.44 | 0.85 | 0.77 | 0.42 | 0.32 | 0.74 | 1.82 | 1.08 | 1.05 | 0.92 | 2.22 | 1.22 | 0.16 | 0.25 | 1.17 | 2.04 | 0.38 | 0.29 | 1.46 | 0.86 | 0.21 | 0.05 | 0.04 | 0.96 | 3.24 | 1.71 | 1.93 | 0.33 | 0.23 | 0.77 | 0.44 | 0.30 | 1.24 | 5.17 | 0.51 | 0.32 | 0.21 | 1.01 | 0.64 | 0.56 | 0.84 | 1.29 | 0.69 | 1.10 | 0.45 |
| glucose_2 | ME1104527 | 0.80 | 0.50 | 1.18 | 1.03 | 1.92 | 1.34 | 1.12 | 1.14 | 1.02 | 0.98 | 0.89 | 0.35 | 0.75 | 1.59 | 0.96 | 1.49 | 1.84 | 1.77 | 1.26 | 0.66 | 0.83 | 1.56 | 0.75 | 1.10 | 0.57 | 0.74 | 0.64 | 0.26 | 0.44 | 0.79 | 0.27 | 1.77 | 1.10 | 0.38 | 1.15 | 0.99 | 0.24 | 0.61 | 0.91 | 1.33 | 0.83 | 1.04 | 0.59 | 2.28 | 0.77 | 0.33 | 0.26 | 0.99 | 2.21 | 0.34 | 0.25 | 0.98 | 0.40 | 0.42 | 0.09 | 0.09 | 0.69 | 3.69 | 0.72 | 1.61 | 2.04 | 0.44 | 0.75 | 0.54 | 0.19 | 1.06 | 5.17 | 0.73 | 0.67 | 0.19 | 0.66 | 1.81 | 0.31 | 0.51 | 1.41 | 0.86 | 1.51 | 1.50 |
| glycine | ME1104526 | 0.98 | 0.65 | 0.90 | 1.01 | 2.56 | 1.55 | 0.84 | 1.13 | 0.72 | 1.05 | 0.43 | 0.34 | 0.77 | 1.19 | 1.12 | 3.81 | 3.01 | 2.32 | 1.49 | 0.72 | 0.58 | 1.50 | 0.90 | 1.35 | 0.73 | 1.07 | 0.69 | 0.53 | 0.46 | 1.00 | 0.38 | 1.75 | 0.73 | 0.42 | 0.99 | 0.74 | 0.30 | 0.44 | 0.66 | 1.31 | 0.71 | 0.75 | 0.75 | 4.05 | 0.72 | 0.18 | 0.41 | 1.28 | 2.35 | 0.37 | 0.22 | 1.32 | 0.45 | 0.30 | 0.05 | 0.18 | 0.54 | 1.53 | 0.91 | 1.33 | 0.51 | 0.63 | 0.78 | 0.47 | 0.25 | 1.31 | 3.68 | 0.60 | 0.49 | 0.18 | 0.72 | 0.56 | 0.61 | 1.02 | 1.59 | 0.71 | 1.54 | 0.82 |
| citrate_1 | ME1104515 | 0.60 | 0.34 | 1.03 | 0.69 | 3.14 | 1.86 | 1.88 | 1.28 | 1.08 | 1.17 | 0.28 | 0.28 | 0.80 | 0.92 | 1.03 | 2.86 | 2.78 | 1.94 | 2.09 | 0.67 | 0.38 | 1.09 | 0.86 | 1.11 | 0.89 | 0.91 | 0.76 | 0.71 | 0.73 | 1.52 | 0.56 | 1.37 | 1.53 | 0.63 | 1.22 | 0.71 | 0.33 | 0.66 | 1.57 | 1.41 | 0.56 | 0.88 | 0.59 | 3.16 | 0.65 | 0.26 | 0.06 | 0.76 | 3.63 | 0.54 | 0.23 | 1.46 | 0.25 | 0.87 | 0.10 | 0.15 | 0.22 | 0.61 | 0.51 | 1.66 | 0.15 | 0.60 | 0.59 | 0.93 | 0.63 | 1.82 | 3.17 | 0.45 | 0.73 | 0.16 | 0.17 | 1.19 | 0.38 | 0.55 | 1.38 | 0.30 | 0.36 | 1.66 |
| citrate_2 | ME1104516 | 0.54 | 0.33 | 1.09 | 0.63 | 2.61 | 1.68 | 1.73 | 1.17 | 1.06 | 1.01 | 0.36 | 0.26 | 0.68 | 0.99 | 1.86 | 2.39 | 2.48 | 1.65 | 1.79 | 0.62 | 0.37 | 1.06 | 0.78 | 0.88 | 0.74 | 0.81 | 0.67 | 0.61 | 0.61 | 1.30 | 0.48 | 1.21 | 1.34 | 0.53 | 1.07 | 0.68 | 0.46 | 0.60 | 1.37 | 1.21 | 0.56 | 0.85 | 0.54 | 2.79 | 0.62 | 0.23 | 0.09 | 1.10 | 3.10 | 0.48 | 0.25 | 1.25 | 0.25 | 0.73 | 0.09 | 0.14 | 0.25 | 0.85 | 0.31 | 1.34 | 0.25 | 0.85 | 0.57 | 0.80 | 0.52 | 2.20 | 4.02 | 0.51 | 0.64 | 0.94 | 0.40 | 1.00 | 0.60 | 1.91 | 1.11 | 2.53 | 0.35 | 1.30 |
| butyrate, ethylmalonate, 3-methly-2-oxovalerate | ME1104497 | 0.85 | 0.23 | 1.44 | 0.60 | 2.23 | 1.02 | 0.58 | 1.25 | 1.56 | 1.44 | 1.09 | 0.19 | 0.84 | 1.40 | 1.63 | 2.04 | 2.33 | 0.99 | 1.80 | 0.74 | 1.01 | 1.86 | 0.56 | 0.62 | 0.72 | 0.81 | 0.71 | 0.21 | 0.27 | 0.70 | 0.36 | 1.54 | 1.30 | 0.41 | 0.72 | 0.77 | 0.16 | 0.63 | 0.85 | 0.78 | 0.64 | 0.59 | 0.47 | 1.59 | 1.23 | 0.22 | 0.09 | 0.92 | 3.39 | 0.39 | 0.37 | 1.01 | 0.39 | 0.47 | 0.11 | 0.23 | 0.65 | 1.61 | 1.83 | 2.42 | 1.28 | 0.71 | 1.61 | 0.67 | 0.47 | 0.97 | 2.27 | 1.26 | 0.28 | 0.02 | 1.20 | 3.27 | 0.22 | 0.40 | 1.82 | 0.42 | 0.69 | 2.58 |
| trimethylamine-N-oxide, betaine | ME1104524 | 1.23 | 0.56 | 1.58 | 0.93 | 1.34 | 1.61 | 0.84 | 1.27 | 0.93 | 2.45 | 1.01 | 0.35 | 1.01 | 1.78 | 0.47 | 2.14 | 2.71 | 1.34 | 0.87 | 0.72 | 0.60 | 1.07 | 1.17 | 1.46 | 0.47 | 0.65 | 0.91 | 0.27 | 0.32 | 0.62 | 0.28 | 1.82 | 1.42 | 0.63 | 1.54 | 1.01 | 0.31 | 0.45 | 0.97 | 1.22 | 0.43 | 1.20 | 0.51 | 1.63 | 1.49 | 0.24 | 0.16 | 0.78 | 2.36 | 0.29 | 0.35 | 1.18 | 0.55 | 0.48 | 0.09 | 0.21 | 1.05 | 1.25 | 1.12 | 1.68 | 0.57 | 0.36 | 0.98 | 0.67 | 0.37 | 1.64 | 4.99 | 0.70 | 0.59 | 0.15 | 0.81 | 1.04 | 0.27 | 0.69 | 1.05 | 1.04 | 1.28 | 1.47 |
| glutamine_1 | ME1104511 | 0.72 | 0.51 | 1.29 | 1.36 | 2.60 | 1.24 | 0.83 | 1.14 | 0.77 | 1.55 | 0.61 | 0.20 | 0.85 | 1.54 | 1.14 | 2.47 | 2.20 | 1.43 | 1.21 | 0.76 | 0.54 | 1.01 | 0.72 | 1.12 | 0.64 | 0.71 | 0.49 | 0.34 | 0.37 | 0.66 | 0.34 | 1.38 | 0.85 | 0.36 | 0.84 | 0.76 | 0.26 | 0.42 | 0.91 | 1.46 | 0.52 | 0.55 | 0.56 | 2.13 | 1.07 | 0.20 | 0.27 | 1.39 | 2.64 | 0.35 | 0.20 | 1.31 | 0.65 | 0.38 | 0.05 | 0.12 | 0.48 | 1.64 | 1.20 | 1.09 | 4.19 | 0.84 | 0.80 | 0.70 | 0.22 | 2.26 | 3.49 | 1.05 | 0.31 | 0.14 | 0.83 | 1.10 | 0.39 | 0.85 | 1.53 | 0.59 | 0.93 | 2.42 |
| mannitol_1 | ME1104528 | 0.87 | 0.48 | 1.35 | 1.13 | 2.13 | 1.45 | 1.21 | 1.17 | 1.10 | 1.28 | 0.91 | 0.35 | 0.82 | 1.50 | 1.08 | 1.71 | 2.17 | 1.86 | 1.43 | 0.75 | 0.84 | 1.67 | 0.82 | 1.08 | 0.58 | 0.87 | 0.67 | 0.26 | 0.42 | 0.85 | 0.28 | 2.05 | 1.24 | 0.35 | 1.37 | 0.95 | 0.26 | 0.49 | 0.91 | 1.44 | 0.76 | 1.07 | 0.62 | 2.27 | 0.94 | 0.26 | 0.23 | 0.92 | 2.32 | 0.35 | 0.27 | 1.16 | 0.52 | 0.34 | 0.12 | 0.11 | 0.64 | 1.33 | 0.65 | 1.63 | 3.17 | 0.46 | 0.85 | 0.56 | 0.19 | 1.18 | 3.14 | 0.69 | 0.66 | 0.18 | 0.77 | 0.94 | 0.48 | 0.76 | 1.34 | 0.89 | 1.66 | 1.40 |
| mannitol_2 | ME1104529 | 0.71 | 0.51 | 1.32 | 1.14 | 1.96 | 1.31 | 1.18 | 0.98 | 0.97 | 1.00 | 0.85 | 0.31 | 0.83 | 1.86 | 1.13 | 1.64 | 2.02 | 2.10 | 1.38 | 0.73 | 0.80 | 1.56 | 0.63 | 1.09 | 0.59 | 0.71 | 0.58 | 0.28 | 0.47 | 0.86 | 0.22 | 1.73 | 1.21 | 0.35 | 1.35 | 0.97 | 0.33 | 0.56 | 0.98 | 1.67 | 0.86 | 0.99 | 0.64 | 2.19 | 0.71 | 0.29 | 0.37 | 0.86 | 2.95 | 0.42 | 0.21 | 1.15 | 0.46 | 0.32 | 0.09 | 0.06 | 0.87 | 0.97 | 0.75 | 1.57 | 2.70 | 0.49 | 0.77 | 0.46 | 0.18 | 1.20 | 4.33 | 0.60 | 0.66 | 0.11 | 0.64 | 0.90 | 0.44 | 0.52 | 1.69 | 0.73 | 1.71 | 2.26 |
| creatinine_2 | ME1104533 | 1.26 | 0.61 | 1.85 | 1.22 | 1.36 | 2.33 | 0.36 | 1.36 | 1.55 | 1.22 | 1.29 | 0.41 | 0.94 | 1.63 | 0.26 | 2.06 | 2.29 | 1.48 | 0.24 | 0.95 | 0.83 | 1.62 | 0.78 | 1.21 | 0.70 | 0.95 | 0.67 | 0.37 | 0.51 | 0.77 | 0.46 | 2.08 | 1.43 | 0.49 | 1.56 | 1.15 | 0.21 | 0.81 | 1.28 | 1.53 | 0.70 | 1.07 | 0.73 | 2.70 | 0.96 | 0.23 | 0.28 | 0.96 | 2.50 | 0.40 | 0.39 | 1.40 | 0.50 | 0.51 | 0.12 | 0.22 | 0.58 | 1.01 | 0.63 | 1.53 | 0.91 | 0.46 | 1.10 | 0.65 | 0.25 | 1.19 | 2.72 | 1.17 | 0.77 | 0.16 | 0.90 | 1.30 | 0.34 | 0.61 | 0.56 | 0.70 | 1.31 | 1.40 |
| creatinine_1 | ME1104520 | 1.28 | 0.59 | 1.82 | 1.14 | 3.22 | 2.22 | 1.83 | 1.48 | 1.43 | 1.39 | 1.17 | 0.37 | 0.97 | 1.42 | 0.83 | 1.84 | 2.54 | 1.18 | 1.81 | 0.89 | 0.80 | 1.38 | 0.75 | 1.02 | 0.63 | 0.86 | 0.63 | 0.36 | 0.45 | 0.63 | 0.42 | 2.05 | 1.39 | 0.42 | 1.69 | 1.04 | 0.17 | 0.71 | 1.14 | 1.28 | 0.65 | 0.99 | 0.64 | 2.28 | 1.23 | 0.22 | 0.23 | 0.87 | 2.33 | 0.46 | 0.36 | 1.28 | 0.44 | 0.45 | 0.11 | 0.19 | 0.51 | 0.90 | 0.48 | 1.53 | 0.99 | 0.41 | 1.39 | 0.77 | 0.25 | 1.05 | 2.06 | 1.02 | 0.69 | 0.14 | 0.81 | 1.20 | 0.43 | 0.59 | 0.37 | 0.59 | 1.28 | 0.59 |
| pyroglutarate, 2-hydroxyglutarate | ME1104510 | 0.96 | 0.47 | 1.60 | 1.20 | 2.51 | 1.66 | 1.46 | 1.31 | 1.23 | 1.33 | 0.97 | 0.39 | 0.87 | 1.75 | 1.09 | 1.77 | 2.38 | 1.34 | 1.67 | 0.92 | 0.73 | 1.40 | 1.04 | 1.04 | 0.67 | 0.74 | 0.64 | 0.27 | 0.35 | 0.73 | 0.40 | 1.85 | 1.23 | 0.41 | 1.29 | 1.27 | 0.21 | 0.68 | 1.11 | 1.40 | 0.80 | 1.13 | 0.60 | 2.63 | 0.86 | 0.20 | 0.26 | 0.83 | 2.73 | 0.34 | 0.31 | 1.36 | 0.55 | 0.43 | 0.10 | 0.16 | 0.48 | 1.03 | 0.76 | 1.27 | 0.88 | 0.58 | 0.96 | 0.71 | 0.24 | 1.17 | 2.30 | 1.06 | 0.71 | 0.09 | 0.86 | 1.51 | 0.29 | 0.78 | 1.69 | 0.55 | 1.46 | 0.99 |
| 2-hydroxyglutarate, histidine | ME1104532 | 0.93 | 0.60 | 1.55 | 1.28 | 2.79 | 1.29 | 1.28 | 1.08 | 0.95 | 1.34 | 0.88 | 0.30 | 0.80 | 2.08 | 1.08 | 2.18 | 2.08 | 2.57 | 1.36 | 0.72 | 0.78 | 1.76 | 0.90 | 1.27 | 0.45 | 0.80 | 0.64 | 0.18 | 0.41 | 0.87 | 0.35 | 1.92 | 1.13 | 0.35 | 1.49 | 0.83 | 0.22 | 0.41 | 0.86 | 1.71 | 0.56 | 0.91 | 0.70 | 2.15 | 1.10 | 0.24 | 0.26 | 0.80 | 2.70 | 0.24 | 0.24 | 1.58 | 0.55 | 0.34 | 0.04 | 0.10 | 0.51 | 1.33 | 0.89 | 1.75 | 0.57 | 0.30 | 0.73 | 0.46 | 0.15 | 1.28 | 3.03 | 0.80 | 0.62 | 0.12 | 0.66 | 0.97 | 0.31 | 0.67 | 1.34 | 0.98 | 2.14 | 1.35 |
| creatine | ME1104530 | 0.84 | 0.45 | 1.01 | 0.76 | 2.13 | 1.72 | 1.07 | 1.52 | 1.02 | 1.35 | 0.77 | 0.42 | 0.80 | 1.33 | 0.77 | 1.74 | 2.58 | 1.52 | 1.29 | 0.54 | 0.89 | 1.69 | 0.95 | 0.98 | 0.48 | 0.80 | 0.84 | 0.35 | 0.48 | 0.88 | 0.27 | 1.88 | 1.00 | 0.39 | 1.51 | 1.10 | 0.29 | 0.70 | 0.76 | 1.16 | 0.90 | 1.00 | 0.59 | 2.21 | 1.40 | 0.28 | 0.46 | 1.34 | 1.58 | 0.63 | 0.30 | 0.88 | 0.44 | 0.33 | 0.11 | 0.10 | 0.62 | 1.53 | 0.65 | 1.55 | 0.87 | 0.73 | 0.95 | 0.92 | 0.25 | 1.26 | 3.13 | 0.77 | 0.63 | 0.45 | 0.78 | 0.83 | 0.69 | 1.20 | 1.35 | 1.41 | 2.15 | 1.65 |
| 3-hydroxyisovalerate | ME1104503 | 0.79 | 0.41 | 2.07 | 0.94 | 2.81 | 1.16 | 1.25 | 0.96 | 1.12 | 1.58 | 0.82 | 0.41 | 0.80 | 1.71 | 0.77 | 1.97 | 2.76 | 0.90 | 1.38 | 0.87 | 0.94 | 1.53 | 0.59 | 1.21 | 0.72 | 0.81 | 0.60 | 0.30 | 0.36 | 0.85 | 0.34 | 1.16 | 1.25 | 0.32 | 1.43 | 0.80 | 0.20 | 0.69 | 1.25 | 0.77 | 0.94 | 0.99 | 0.55 | 2.67 | 0.71 | 0.30 | 0.21 | 0.78 | 2.28 | 0.36 | 0.23 | 1.53 | 0.39 | 0.49 | 0.09 | 0.16 | 0.60 | 1.03 | 1.86 | 2.83 | 1.87 | 0.52 | 1.42 | 0.50 | 0.23 | 1.18 | 1.78 | 0.78 | 0.72 | 0.10 | 0.83 | 1.58 | 0.30 | 0.54 | 2.18 | 0.56 | 1.07 | 1.28 |
| lysine_1 | ME1104507 | 0.87 | 0.36 | 2.06 | 0.79 | 1.97 | 1.20 | 1.15 | 1.06 | 1.31 | 2.49 | 1.18 | 0.23 | 0.78 | 1.57 | 0.60 | 2.00 | 2.36 | 1.04 | 1.28 | 0.68 | 0.73 | 0.81 | 0.64 | 1.18 | 0.55 | 0.72 | 0.45 | 0.16 | 0.64 | 0.73 | 0.28 | 1.22 | 1.18 | 0.32 | 0.80 | 1.41 | 0.24 | 0.58 | 1.07 | 1.06 | 0.62 | 0.70 | 0.57 | 3.09 | 0.98 | 0.30 | 0.20 | 1.00 | 3.51 | 0.58 | 0.19 | 1.09 | 0.35 | 0.32 | 0.06 | NA | 0.42 | 1.40 | 1.39 | 1.44 | 1.00 | 0.51 | 1.43 | 0.95 | 0.21 | 2.12 | 2.83 | 1.06 | 0.35 | 0.01 | 1.16 | 1.74 | 0.35 | 0.73 | 1.87 | 0.61 | 1.29 | 1.81 |
| lysine_2 | ME1104509 | 1.44 | 0.41 | 2.15 | 1.25 | 2.92 | 1.00 | 0.89 | 1.34 | 0.99 | 1.92 | 0.86 | 0.23 | 1.01 | 1.74 | 0.80 | 2.12 | 2.39 | 1.11 | 1.31 | 0.85 | 0.63 | 1.14 | 0.67 | 1.15 | 0.62 | 0.64 | 0.55 | 0.22 | 0.35 | 0.63 | 0.35 | 1.12 | 1.17 | 0.43 | 0.85 | 1.07 | 0.26 | 0.41 | 1.07 | 1.16 | 0.56 | 0.59 | 0.57 | 2.64 | 1.26 | 0.27 | 0.27 | 1.05 | 2.52 | 0.41 | 0.19 | 1.12 | 1.50 | 0.33 | 0.07 | 0.06 | 0.47 | 1.79 | 1.31 | 1.66 | 0.89 | 0.47 | 1.14 | 1.19 | 0.24 | 1.65 | 2.30 | 1.05 | 0.23 | 0.12 | 0.91 | 1.39 | 0.32 | 0.82 | 1.91 | 0.75 | 1.23 | 1.56 |
| imidazole_1 | ME1104540 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 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 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 53.89 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 23.93 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 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 | 0.01 | 0.01 | 0.00 |
| valine, isoleucine | ME1104499 | NA | NA | 0.00 | NA | 0.00 | NA | NA | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | NA | 0.00 | NA | 0.00 | NA | NA | 19.06 | 0.00 | 0.00 | NA | 0.00 | 0.00 | 22.78 | 11.20 | NA | NA | 14.92 | 22.90 | NA | 0.00 | NA | NA | NA | 21.10 | NA | NA | NA | 0.00 | NA | NA | NA | 0.00 | 29.57 | NA | 0.00 | 0.00 | 0.00 | NA | 0.00 | 7.74 | 0.00 | 20.95 | 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 | NA | NA | 0.00 | 0.00 | 14.29 | NA | 0.00 | NA | NA | 0.00 |
Factors:
| F1 | Sample source:urine | Group:Control | Injection order:1 |
| F2 | Sample source:urine | Group:Control | Injection order:10 |
| F3 | Sample source:urine | Group:Control | Injection order:11 |
| F4 | Sample source:urine | Group:Control | Injection order:12 |
| F5 | Sample source:urine | Group:Control | Injection order:13 |
| F6 | Sample source:urine | Group:Control | Injection order:14 |
| F7 | Sample source:urine | Group:Control | Injection order:15 |
| F8 | Sample source:urine | Group:Control | Injection order:16 |
| F9 | Sample source:urine | Group:Control | Injection order:17 |
| F10 | Sample source:urine | Group:Control | Injection order:18 |
| F11 | Sample source:urine | Group:Control | Injection order:19 |
| F12 | Sample source:urine | Group:Control | Injection order:2 |
| F13 | Sample source:urine | Group:Control | Injection order:20 |
| F14 | Sample source:urine | Group:Control | Injection order:21 |
| F15 | Sample source:urine | Group:Control | Injection order:22 |
| F16 | Sample source:urine | Group:Control | Injection order:23 |
| F17 | Sample source:urine | Group:Control | Injection order:24 |
| F18 | Sample source:urine | Group:Control | Injection order:25 |
| F19 | Sample source:urine | Group:Control | Injection order:26 |
| F20 | Sample source:urine | Group:Control | Injection order:27 |
| F21 | Sample source:urine | Group:Control | Injection order:28 |
| F22 | Sample source:urine | Group:Control | Injection order:29 |
| F23 | Sample source:urine | Group:Control | Injection order:3 |
| F24 | Sample source:urine | Group:Control | Injection order:30 |
| F25 | Sample source:urine | Group:Control | Injection order:31 |
| F26 | Sample source:urine | Group:Control | Injection order:32 |
| F27 | Sample source:urine | Group:Control | Injection order:33 |
| F28 | Sample source:urine | Group:Control | Injection order:34 |
| F29 | Sample source:urine | Group:Control | Injection order:35 |
| F30 | Sample source:urine | Group:Control | Injection order:36 |
| F31 | Sample source:urine | Group:Control | Injection order:37 |
| F32 | Sample source:urine | Group:Control | Injection order:38 |
| F33 | Sample source:urine | Group:Control | Injection order:39 |
| F34 | Sample source:urine | Group:Control | Injection order:4 |
| F35 | Sample source:urine | Group:Control | Injection order:40 |
| F36 | Sample source:urine | Group:Control | Injection order:41 |
| F37 | Sample source:urine | Group:Control | Injection order:42 |
| F38 | Sample source:urine | Group:Control | Injection order:43 |
| F39 | Sample source:urine | Group:Control | Injection order:44 |
| F40 | Sample source:urine | Group:Control | Injection order:45 |
| F41 | Sample source:urine | Group:Control | Injection order:5 |
| F42 | Sample source:urine | Group:Control | Injection order:6 |
| F43 | Sample source:urine | Group:Control | Injection order:7 |
| F44 | Sample source:urine | Group:Control | Injection order:8 |
| F45 | Sample source:urine | Group:Control | Injection order:9 |
| F46 | Sample source:urine | Group:PPROM | Injection order:46 |
| F47 | Sample source:urine | Group:PPROM | Injection order:47 |
| F48 | Sample source:urine | Group:PPROM | Injection order:48 |
| F49 | Sample source:urine | Group:PPROM | Injection order:49 |
| F50 | Sample source:urine | Group:PPROM | Injection order:50 |
| F51 | Sample source:urine | Group:PPROM | Injection order:51 |
| F52 | Sample source:urine | Group:PPROM | Injection order:52 |
| F53 | Sample source:urine | Group:PPROM | Injection order:53 |
| F54 | Sample source:urine | Group:PPROM | Injection order:54 |
| F55 | Sample source:urine | Group:PPROM | Injection order:55 |
| F56 | Sample source:urine | Group:PPROM | Injection order:56 |
| F57 | Sample source:urine | Group:PPROM | Injection order:57 |
| F58 | Sample source:urine | Group:PPROM | Injection order:58 |
| F59 | Sample source:urine | Group:PPROM | Injection order:59 |
| F60 | Sample source:urine | Group:PPROM | Injection order:60 |
| F61 | Sample source:urine | Group:PPROM | Injection order:61 |
| F62 | Sample source:urine | Group:PPROM | Injection order:62 |
| F63 | Sample source:urine | Group:PPROM | Injection order:63 |
| F64 | Sample source:urine | Group:PPROM | Injection order:64 |
| F65 | Sample source:urine | Group:PPROM | Injection order:65 |
| F66 | Sample source:urine | Group:PPROM | Injection order:66 |
| F67 | Sample source:urine | Group:PPROM | Injection order:67 |
| F68 | Sample source:urine | Group:PPROM | Injection order:68 |
| F69 | Sample source:urine | Group:PPROM | Injection order:69 |
| F70 | Sample source:urine | Group:PPROM | Injection order:70 |
| F71 | Sample source:urine | Group:PPROM | Injection order:71 |
| F72 | Sample source:urine | Group:PPROM | Injection order:72 |
| F73 | Sample source:urine | Group:PPROM | Injection order:73 |
| F74 | Sample source:urine | Group:PPROM | Injection order:74 |
| F75 | Sample source:urine | Group:PPROM | Injection order:75 |
| F76 | Sample source:urine | Group:PPROM | Injection order:76 |
| F77 | Sample source:urine | Group:PPROM | Injection order:77 |
| F78 | Sample source:urine | Group:PPROM | Injection order:78 |
