Clustering data with hclust algorithm for (Study ST002858)
Reversed phase NEGATIVE ION MODE (Analysis AN004685)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 |
|---|---|---|---|---|---|---|---|---|
| FA(18:2) | ME742909 | 1.15 | 0.92 | 0.76 | 1.14 | 0.81 | 1.08 | 1.12 |
| Dehydroascorbate | ME742860 | 0.93 | 1.03 | 1.01 | 1.05 | 0.97 | 1.00 | 1.03 |
| FA(9:0) | ME742900 | 0.99 | 0.95 | 1.05 | 1.01 | 1.01 | 1.02 | 0.96 |
| NAD+ | ME742833 | 0.84 | 0.64 | 1.14 | 1.10 | 1.16 | 1.05 | 1.14 |
| FA(14:1) | ME742906 | 1.05 | 1.04 | 0.74 | 1.21 | 0.73 | 1.10 | 1.14 |
| NADH | ME742834 | 0.93 | 0.88 | 0.93 | 1.25 | 1.33 | 1.02 | 0.72 |
| 6-Phospho-D-gluconate | ME742856 | 1.08 | 0.83 | 0.95 | 1.00 | 0.85 | 1.05 | 1.13 |
| Fumarate | ME742852 | 1.05 | 1.33 | 0.90 | 0.95 | 0.98 | 0.94 | 0.93 |
| Hydroxyindole-acetylglycine | ME742890 | 1.15 | 0.88 | 1.05 | 0.98 | 0.89 | 1.03 | 0.96 |
| 2-Hydroxyglutarate | ME742855 | 1.05 | 0.91 | 0.99 | 0.98 | 0.94 | 1.04 | 1.04 |
| 2-Oxoglutarate | ME742850 | 1.18 | 0.85 | 0.98 | 0.96 | 0.94 | 1.03 | 1.00 |
| FA(16:0) | ME742904 | 1.07 | 0.97 | 0.86 | 1.13 | 0.85 | 1.05 | 1.07 |
| 2-Aminomuconate | ME742889 | 0.91 | 0.83 | 1.01 | 1.04 | 1.17 | 1.08 | 0.96 |
| UDP | ME742825 | 1.02 | 1.00 | 0.98 | 1.03 | 0.96 | 1.00 | 1.02 |
| Quinolinic acid | ME742887 | 1.01 | 0.99 | 1.07 | 0.93 | 1.04 | 0.98 | 0.97 |
| Pyruvate | ME742842 | 0.91 | 1.00 | 1.04 | 1.02 | 1.13 | 0.98 | 0.96 |
| 2/3-Phospho-D-glycerate | ME742841 | 1.11 | 0.91 | 0.71 | 1.67 | 0.54 | 1.34 | 0.60 |
| L-cystine | ME742818 | 1.06 | 0.86 | 1.12 | 1.01 | 1.05 | 0.93 | 0.95 |
| D-Glyceraldehyde 3-phosphate/Glycerone phosphate | ME742839 | 1.26 | 0.68 | 1.06 | 0.77 | 0.89 | 1.23 | 0.89 |
| D-Hexose-phosphate | ME742837 | 0.99 | 1.05 | 1.02 | 1.07 | 0.94 | 0.98 | 0.96 |
| 1-3-Bisphosphoglycerate | ME742840 | 0.94 | 0.95 | 1.04 | 1.10 | 0.94 | 0.98 | 1.06 |
| 2^,3^-Cyclic CMP | ME742830 | 1.10 | 0.91 | 1.01 | 0.99 | 1.02 | 0.93 | 1.01 |
| N-formyl kynurenine | ME742888 | 0.80 | 1.02 | 1.15 | 0.93 | 1.30 | 1.05 | 0.82 |
| FA(6:0) | ME742897 | 0.91 | 0.98 | 0.91 | 1.10 | 0.92 | 1.14 | 1.05 |
| Thymidine | ME742824 | 0.91 | 0.90 | 1.16 | 1.03 | 1.12 | 0.79 | 1.11 |
| (S)(+)-Allantoin | ME742829 | 1.03 | 0.87 | 0.84 | 1.22 | 1.34 | 0.93 | 0.87 |
| 6-Hydroxykynurenic acid | ME742886 | 1.31 | 1.33 | 0.90 | 0.66 | 0.92 | 0.94 | 0.99 |
| FA(4:0) | ME742895 | 0.90 | 0.82 | 1.08 | 1.06 | 1.29 | 0.85 | 1.02 |
| Mannitol/Sorbitol/Glucitol/Iditol | ME742845 | 0.92 | 1.39 | 0.70 | 0.74 | 2.07 | 0.58 | 0.86 |
| 10-Formyltetrahydrofolate | ME742863 | 1.08 | 0.88 | 0.91 | 0.94 | 0.89 | 1.03 | 1.19 |
| Glycolate | ME742868 | 1.04 | 0.99 | 0.98 | 1.01 | 0.98 | 1.02 | 0.99 |
| Homocarnosine | ME742869 | 0.84 | 1.19 | 1.01 | 0.97 | 1.01 | 1.05 | 0.96 |
| FA(5:0) | ME742896 | 0.99 | 1.00 | 0.92 | 1.11 | 1.03 | 0.97 | 1.02 |
| Thiocysteine | ME742877 | 1.05 | 1.00 | 1.09 | 1.09 | 1.06 | 0.92 | 0.83 |
| 5-Hydroxyindoleacetate | ME742880 | 0.94 | 0.98 | 0.99 | 1.05 | 1.07 | 0.98 | 1.02 |
| D-4--Phosphopantothenate | ME742874 | 0.99 | 0.95 | 0.99 | 0.98 | 1.30 | 1.15 | 0.73 |
| Lactate | ME742843 | 0.95 | 1.00 | 0.92 | 0.99 | 1.12 | 1.03 | 1.01 |
| S-Glutathionyl-L-cysteine | ME742857 | 0.94 | 0.94 | 0.99 | 1.09 | 1.05 | 1.10 | 0.91 |
| Ascorbate | ME742859 | 0.57 | 2.45 | 0.85 | 0.76 | 0.86 | 0.86 | 0.95 |
| ATP | ME742819 | 0.93 | 1.33 | 1.01 | 1.02 | 0.95 | 1.01 | 0.87 |
| FA(18:1) | ME742908 | 1.08 | 0.94 | 0.83 | 1.16 | 0.83 | 1.04 | 1.11 |
| dCMP | ME742823 | 0.95 | 0.92 | 1.14 | 1.08 | 1.04 | 1.06 | 0.82 |
| FA(14:0) | ME742903 | 1.17 | 1.04 | 0.77 | 1.09 | 0.72 | 1.12 | 1.06 |
| D-Rhamnose | ME742847 | 0.89 | 1.02 | 0.95 | 1.01 | 1.09 | 1.03 | 1.03 |
| 5-Hydroxyisourate | ME742828 | 1.05 | 0.96 | 1.03 | 1.03 | 0.96 | 0.96 | 0.99 |
| 5-L-Glutamyl-taurine | ME742861 | 1.19 | 0.72 | 1.17 | 1.12 | 0.91 | 0.95 | 0.90 |
| 3-Sulfocatechol | ME742878 | 0.82 | 1.28 | 1.29 | 1.03 | 1.00 | 0.78 | 0.87 |
| FA(20:5) | ME742912 | 1.11 | 1.02 | 0.60 | 1.04 | 0.74 | 0.99 | 1.46 |
| L-serine | ME742816 | 0.92 | 0.94 | 1.01 | 1.05 | 1.07 | 1.04 | 0.99 |
| Succinate | ME742851 | 1.11 | 0.91 | 0.99 | 0.99 | 0.96 | 1.01 | 0.99 |
| Urate | ME742827 | 1.00 | 0.96 | 1.02 | 1.05 | 0.98 | 0.95 | 1.04 |
| Sphingosine 1-phosphate | ME742916 | 0.98 | 0.93 | 0.97 | 1.01 | 1.02 | 1.04 | 1.05 |
| Uracil | ME742826 | 1.01 | 1.00 | 1.15 | 1.12 | 0.87 | 0.81 | 1.04 |
| L-threonine | ME742817 | 0.96 | 0.98 | 1.05 | 0.97 | 1.07 | 1.00 | 0.97 |
| Sphinganine 1-phosphate | ME742917 | 0.97 | 0.94 | 0.89 | 1.05 | 0.95 | 1.13 | 1.05 |
| L-histidine | ME742815 | 1.02 | 0.89 | 1.10 | 0.96 | 0.99 | 1.02 | 0.98 |
| N-Methylethanolamine phosphate | ME742894 | 1.07 | 0.87 | 1.04 | 1.01 | 0.97 | 0.99 | 1.01 |
| L-cysteine | ME742813 | 1.05 | 0.96 | 1.14 | 0.97 | 1.01 | 0.94 | 0.92 |
| Indoxyl | ME742885 | 0.83 | 1.04 | 1.04 | 0.60 | 1.29 | 1.14 | 1.02 |
| Malate | ME742853 | 1.13 | 0.82 | 0.95 | 1.04 | 1.04 | 1.02 | 0.98 |
| Glycerol 3-phosphate | ME742892 | 1.02 | 0.86 | 1.12 | 1.03 | 1.03 | 0.98 | 0.94 |
| FA(22:5) | ME742915 | 1.26 | 1.18 | 0.60 | 1.05 | 0.66 | 1.10 | 1.15 |
| D-Fructose 1-6-bisphosphate | ME742838 | 0.86 | 1.10 | 1.08 | 1.13 | 1.02 | 1.18 | 0.82 |
| L-Cysteate | ME742879 | 0.85 | 0.93 | 0.92 | 1.03 | 1.13 | 1.07 | 1.09 |
| Phosphoethanolamine | ME742893 | 0.88 | 0.72 | 1.07 | 1.06 | 1.07 | 1.14 | 1.02 |
| UDP-N-acetyl-D-glucosamine | ME742867 | 0.84 | 0.91 | 1.10 | 1.06 | 1.19 | 0.98 | 0.95 |
| dAMP | ME742820 | 1.02 | 1.00 | 0.85 | 0.77 | 1.52 | 1.08 | 0.78 |
| UDP-glucose | ME742832 | 1.02 | 1.18 | 1.13 | 0.68 | 1.02 | 1.03 | 0.91 |
| Pantothenate | ME742873 | 1.04 | 0.94 | 0.97 | 0.98 | 1.07 | 0.96 | 1.02 |
| Cys-Gly | ME742858 | 0.66 | 2.24 | 0.81 | 0.81 | 0.86 | 1.00 | 0.78 |
| N-Glycoloyl-neuraminate | ME742866 | 0.93 | 1.00 | 1.07 | 0.92 | 1.09 | 1.07 | 0.92 |
| FA(22:6) | ME742913 | 1.06 | 0.95 | 0.74 | 1.22 | 0.87 | 1.04 | 1.14 |
| Tetrahydrofolate | ME742862 | 1.14 | 1.14 | 0.98 | 0.96 | 0.86 | 0.88 | 1.05 |
| Phosphate | ME742835 | 0.82 | 0.84 | 1.26 | 1.22 | 1.09 | 0.85 | 0.95 |
| FA(7:0) | ME742898 | 0.98 | 0.97 | 1.01 | 0.99 | 1.03 | 1.03 | 0.99 |
| FA(8:0) | ME742899 | 0.66 | 0.63 | 1.47 | 1.50 | 1.41 | 0.53 | 0.91 |
| CTP | ME742822 | 0.88 | 0.94 | 1.02 | 1.06 | 1.05 | 1.05 | 1.00 |
| Ribose/Ribulose/Arabinose/Xylose/Xylulose | ME742846 | 0.92 | 1.04 | 1.18 | 1.06 | 1.00 | 0.91 | 0.91 |
| Phosphocreatine | ME742871 | 1.16 | 0.73 | 1.28 | 1.17 | 0.99 | 0.87 | 0.78 |
| 3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione | ME742891 | 1.02 | 1.06 | 1.08 | 1.06 | 1.01 | 0.87 | 0.93 |
| Indole | ME742882 | 1.01 | 0.80 | 1.11 | 0.94 | 1.07 | 0.96 | 1.06 |
| FA(18:3) | ME742910 | 1.18 | 0.87 | 0.75 | 1.23 | 0.80 | 1.07 | 1.09 |
| L-aspartate | ME742812 | 1.00 | 1.09 | 0.88 | 0.97 | 1.03 | 1.00 | 1.05 |
| 3-Methyldioxyindole | ME742881 | 0.70 | 1.60 | 0.75 | 0.54 | 1.47 | 0.84 | 1.23 |
| glycine | ME742814 | 0.93 | 0.95 | 0.98 | 1.01 | 1.09 | 1.01 | 1.04 |
| Maltose/Sucrose | ME742844 | 0.48 | 0.91 | 0.55 | 0.31 | 0.31 | 1.89 | 2.22 |
| FA(10:0) | ME742901 | 0.94 | 0.95 | 0.97 | 1.06 | 1.04 | 1.00 | 1.06 |
| Adenine | ME742821 | 1.14 | 0.87 | 1.21 | 0.79 | 1.13 | 0.91 | 0.88 |
| Argininosuccinate | ME742864 | 0.94 | 1.43 | 1.05 | 0.76 | 1.17 | 1.06 | 0.72 |
| N-Acetylneuraminate | ME742865 | 0.98 | 1.51 | 0.96 | 0.97 | 0.95 | 0.86 | 0.88 |
| FA(20:3) | ME742914 | 1.11 | 1.03 | 0.74 | 1.13 | 0.87 | 1.10 | 1.03 |
| FA(20:4) | ME742911 | 1.15 | 1.18 | 0.72 | 0.93 | 0.70 | 1.15 | 1.13 |
| FA(12:0) | ME742902 | 1.08 | 0.98 | 0.82 | 1.15 | 0.84 | 1.05 | 1.09 |
| FA(18:0) | ME742905 | 1.09 | 0.96 | 0.83 | 1.16 | 0.88 | 1.02 | 1.07 |
| D-Arabitol/Xylitol/Ribitol | ME742848 | 0.95 | 1.82 | 0.95 | 0.91 | 0.90 | 0.86 | 0.78 |
| FA(16:1) | ME742907 | 1.21 | 1.01 | 0.71 | 1.14 | 0.65 | 1.20 | 1.05 |
| D-Glucose | ME742836 | 0.97 | 0.97 | 1.05 | 1.07 | 1.02 | 0.96 | 0.96 |
| Pantetheine 4--phosphate | ME742875 | 1.09 | 0.94 | 1.01 | 1.12 | 0.92 | 0.87 | 1.05 |
| Carnosine | ME742870 | 1.54 | 0.93 | 1.13 | 0.88 | NA | 0.82 | 0.81 |
| Citrate | ME742849 | 0.91 | 1.16 | 0.95 | 1.02 | 0.92 | 1.03 | 1.04 |
| Pyridoxamine 5^-phosphate | ME742831 | 0.97 | 1.25 | 0.92 | 1.24 | 0.91 | 0.96 | 0.83 |
| Indole-3-acetate | ME742883 | 0.98 | 0.81 | 1.06 | 1.06 | 1.04 | 0.84 | 1.17 |
| Indolepyruvate | ME742884 | 0.97 | 0.87 | 1.17 | 0.90 | 1.09 | 0.95 | 1.01 |
| N-Succinyl-L-glutamate 5-semialdehyde | ME742872 | 0.93 | 1.09 | 0.96 | 0.94 | 1.06 | 1.06 | 0.99 |
| Oxaloacetate | ME742854 | 0.90 | 1.12 | 0.93 | 1.03 | 0.97 | 1.02 | 1.06 |
| 3-Phospho-D-glyceroyl phosphate | ME742918 | 0.94 | 0.95 | 1.04 | 1.10 | 0.94 | 0.98 | 1.06 |
| 3-Sulfino-L-alanine | ME742876 | 1.12 | 0.75 | 1.04 | 1.14 | 0.91 | 1.09 | 0.90 |
Factors:
| F1 | TIMEPOINT:FU1 |
| F2 | TIMEPOINT:FU12 |
| F3 | TIMEPOINT:FU3 |
| F4 | TIMEPOINT:FU6 |
| F5 | TIMEPOINT:FU9 |
| F6 | TIMEPOINT:REND |
| F7 | TIMEPOINT:START |
