Clustering data with hclust algorithm for (Study ST001527)
(Analysis AN002548)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Methionine | ME368705 | 0.01 | 0.03 | NA | 0.20 | 0.15 | NA | NA | 0.25 | 0.17 | NA | 10.15 | 0.60 | NA | 0.77 | 0.13 |
| Taurine | ME368766 | 0.02 | 0.02 | 0.63 | 1.30 | 0.47 | 0.46 | NA | 0.01 | 0.28 | 0.03 | 7.73 | 0.37 | 0.13 | 2.58 | 0.10 |
| DL-Glyceraldehyde 3-phosphate | ME368635 | 0.14 | 0.20 | NA | 0.09 | NA | NA | NA | 0.09 | 2.94 | NA | 0.09 | 0.08 | NA | 6.94 | 0.11 |
| L-Pyroglutamic acid | ME368685 | 0.21 | 0.28 | NA | 0.22 | NA | NA | NA | 0.64 | 1.98 | NA | 0.19 | 1.04 | NA | 5.70 | 0.31 |
| Y (Pseudouridine) | ME368789 | 0.00 | 0.00 | NA | 2.31 | NA | NA | 0.28 | 1.00 | 0.75 | NA | 0.10 | 0.19 | NA | 4.00 | 0.02 |
| Thiamine | ME368767 | 1.02 | 0.01 | NA | 1.25 | NA | NA | NA | 0.46 | 0.03 | NA | 0.58 | 0.03 | NA | 5.24 | 0.03 |
| Uric acid | ME368780 | 0.18 | 0.06 | NA | 0.70 | NA | NA | 0.44 | 0.73 | 0.48 | NA | 0.33 | 0.10 | NA | 5.76 | 0.01 |
| trans-Ferulic acid | ME368772 | NA | 0.42 | 3.94 | 0.10 | NA | NA | NA | 0.10 | 2.84 | NA | NA | 0.07 | 1.06 | NA | 0.03 |
| Serine | ME368755 | 0.06 | 0.30 | 1.10 | 0.74 | 1.13 | 6.66 | NA | 0.20 | 0.29 | 0.46 | 2.80 | 0.96 | 0.50 | 1.17 | 0.19 |
| Threonine | ME368768 | 0.03 | 0.36 | 0.96 | 0.33 | 0.66 | 5.51 | NA | 0.12 | 0.48 | 0.34 | 4.02 | 0.52 | 0.87 | 3.20 | 0.09 |
| 13C Glutamine | ME368454 | NA | 0.49 | NA | 0.03 | NA | 6.16 | NA | 0.01 | NA | NA | 0.59 | 0.48 | NA | 2.27 | 0.00 |
| Glutamine | ME368659 | NA | 1.55 | 0.14 | 0.36 | 0.08 | 8.37 | NA | 0.05 | 0.14 | NA | 0.38 | 0.60 | 0.20 | 0.96 | NA |
| Citrulline | ME368610 | 0.07 | 0.22 | NA | 1.16 | NA | 4.16 | NA | 0.55 | 0.24 | NA | 0.35 | 0.42 | NA | 3.88 | 0.26 |
| 13C Xanthine | ME368544 | 0.37 | NA | NA | 1.53 | NA | 2.62 | 0.26 | 0.98 | 0.02 | NA | NA | 2.40 | NA | 0.63 | 0.02 |
| Leucine | ME368693 | 0.16 | 1.21 | NA | 0.85 | NA | 5.57 | NA | 0.71 | 0.95 | NA | 0.15 | 0.87 | NA | NA | 0.47 |
| Malic acid | ME368702 | 0.22 | 0.31 | NA | 2.27 | NA | 3.51 | 0.44 | NA | 0.78 | NA | 0.87 | NA | NA | 0.80 | NA |
| Xanthine | ME368788 | 0.54 | 0.04 | 0.41 | 1.98 | 1.12 | 4.98 | 0.77 | 1.08 | 0.09 | 0.15 | 0.74 | 1.26 | 0.39 | 1.53 | 0.07 |
| 13C Glucose | ME368452 | 1.63 | NA | NA | 1.44 | NA | 2.12 | 1.17 | 2.25 | 0.25 | NA | 0.70 | NA | 0.76 | 0.50 | NA |
| Uridine | ME368781 | 0.51 | 0.01 | 0.93 | 0.93 | 0.50 | 2.67 | 2.12 | 2.53 | 0.07 | NA | 1.73 | 0.38 | 0.68 | 0.85 | 0.09 |
| 13C Histidine | ME368463 | 0.01 | 0.03 | 0.46 | 2.65 | 0.28 | 3.04 | 0.63 | 0.44 | 0.35 | 0.39 | 3.14 | 0.38 | 0.99 | 0.87 | 0.03 |
| Histidine | ME368670 | 0.14 | 0.05 | 0.73 | 2.55 | 0.46 | 3.02 | 0.74 | 0.47 | 0.40 | 0.57 | 3.21 | 0.74 | 0.63 | 1.09 | 0.06 |
| Hypoxanthine | ME368671 | NA | NA | 0.24 | 0.27 | 0.82 | 3.31 | NA | NA | 0.13 | 0.05 | 3.90 | 0.87 | 0.53 | NA | 0.01 |
| Lysine | ME368699 | NA | 0.17 | 0.29 | NA | 0.08 | 2.96 | NA | NA | 1.14 | NA | 2.38 | 0.57 | 0.42 | NA | NA |
| 13C Lactate | ME368479 | 0.18 | 0.01 | NA | 4.54 | 0.05 | NA | 0.66 | 2.97 | 0.06 | 0.05 | 0.99 | 0.18 | 0.04 | 1.34 | 0.05 |
| Phenylalanine | ME368736 | 0.64 | 0.19 | 0.18 | 5.71 | 0.23 | 1.02 | 0.58 | 3.42 | 0.15 | 0.11 | 2.00 | 0.65 | 0.19 | 0.95 | NA |
| 13C Pyruvate | ME368516 | 0.31 | NA | NA | 0.60 | NA | NA | 0.54 | 5.75 | 0.01 | NA | 1.20 | 0.02 | NA | 0.38 | NA |
| 13C Salicylic acid | ME368518 | 0.33 | NA | NA | 0.44 | NA | NA | 0.93 | 4.24 | 0.48 | NA | 1.24 | NA | 0.37 | 0.66 | NA |
| N-Acetyl-L-glutamic acid | ME368712 | 0.02 | 0.03 | NA | 1.15 | NA | NA | NA | 0.01 | 0.03 | NA | 5.52 | 0.59 | 1.15 | NA | 0.01 |
| Inosine | ME368673 | 0.21 | 0.00 | 0.30 | 0.38 | 0.68 | 1.49 | 1.26 | 1.48 | 0.12 | NA | 5.36 | 0.37 | 0.62 | 1.13 | 0.04 |
| 13C Fructose | ME368447 | 0.18 | 0.29 | NA | 1.33 | NA | NA | 0.13 | 2.15 | 0.27 | NA | 4.36 | 0.27 | NA | 0.55 | 1.37 |
| 13C Inosine | ME368467 | 0.36 | NA | NA | 1.64 | 2.10 | 0.34 | 0.43 | 1.91 | 0.04 | 0.81 | 4.11 | 0.22 | 0.24 | 0.96 | 0.03 |
| Tyrosine | ME368774 | 0.03 | 0.82 | 1.24 | 1.17 | 1.15 | NA | NA | 0.53 | 1.63 | 0.35 | 2.73 | 1.28 | 0.20 | NA | 0.05 |
| 13C Malate | ME368486 | 0.61 | NA | NA | 1.70 | NA | NA | 0.08 | 0.13 | 0.00 | NA | 2.98 | 0.24 | NA | 0.80 | NA |
| 13C Uridine | ME368539 | 0.32 | 0.83 | NA | 1.61 | NA | NA | NA | 0.63 | 0.84 | NA | 3.40 | 0.23 | NA | NA | 0.39 |
| L-Threonic acid | ME368688 | 0.61 | 1.99 | NA | 2.27 | NA | NA | NA | 0.23 | 0.82 | NA | 2.66 | 0.51 | NA | NA | 0.39 |
| Guanosine | ME368667 | 0.06 | NA | 1.49 | NA | 0.31 | NA | 0.69 | 1.39 | NA | NA | 3.42 | 1.24 | 0.58 | 0.23 | NA |
| D-(-)-Mannitol | ME368620 | NA | NA | 0.77 | NA | 0.10 | NA | NA | NA | 0.63 | 1.29 | 4.04 | 0.42 | 0.48 | 0.28 | NA |
| Pyruvate | ME368747 | 0.40 | 0.02 | 1.43 | 0.39 | 1.00 | 0.15 | 0.14 | 0.16 | 0.35 | 2.01 | 4.09 | 2.22 | 0.05 | 0.76 | 0.05 |
| 3-Hydroxybutyric acid | ME368557 | NA | NA | 0.26 | NA | 0.07 | NA | NA | NA | 1.87 | 0.17 | 1.36 | 1.64 | 0.30 | 2.33 | NA |
| Malate | ME368700 | 0.37 | 0.24 | 0.36 | 1.61 | 0.12 | NA | 0.91 | 0.35 | 0.10 | 0.43 | 2.26 | 2.12 | 0.75 | 1.81 | 0.17 |
| Citrate | ME368608 | NA | NA | NA | 1.73 | NA | NA | 1.82 | 0.69 | 1.96 | NA | 0.15 | 0.03 | 0.22 | 2.40 | NA |
| Sorbitol | ME368756 | 0.48 | 0.12 | NA | 1.25 | NA | NA | 1.58 | 1.23 | 0.90 | NA | 0.98 | 0.51 | 0.91 | 1.67 | 1.21 |
| Succinate | ME368761 | 1.20 | 0.09 | NA | 1.92 | NA | NA | 1.68 | 0.38 | 1.30 | NA | 0.48 | 0.26 | 0.71 | 2.28 | 0.08 |
| 13C DL-p-Hydroxyphenyllactic acid | ME368443 | 1.31 | 0.19 | NA | 1.07 | NA | NA | 2.26 | 0.34 | 1.02 | NA | 1.34 | 0.22 | 1.73 | 2.04 | 0.43 |
| (S) HODE | ME368379 | 0.64 | 0.29 | NA | 1.06 | NA | NA | 2.34 | 0.61 | 1.50 | NA | 0.71 | 0.29 | 1.05 | 2.30 | 0.33 |
| α-D-Glucose-1,6-bisphosphate | ME368672 | 1.15 | NA | NA | 1.13 | NA | NA | 0.63 | 1.28 | 0.73 | NA | 1.32 | NA | 1.19 | 1.11 | NA |
| 4-Oxoproline_analog | ME368570 | 1.25 | NA | NA | 1.50 | NA | NA | 1.30 | 2.98 | 0.43 | NA | 0.43 | NA | 0.29 | 0.54 | NA |
| 6-Hydroxycaproic acid | ME368576 | 2.38 | NA | NA | 2.03 | NA | NA | 0.21 | 1.99 | 0.91 | NA | 0.19 | NA | 0.06 | 1.06 | NA |
| Hydroxybutyric acid_analog_2 | ME368558 | 1.29 | NA | NA | 1.10 | NA | NA | 0.13 | 2.28 | 1.47 | NA | 0.20 | NA | 0.36 | 1.28 | NA |
| DL-p-Hydroxyphenyllactic acid | ME368637 | 0.48 | 0.02 | NA | 2.40 | NA | NA | 0.58 | 1.91 | 0.24 | NA | 0.92 | 0.23 | NA | 2.08 | 0.06 |
| Pantothenic acid | ME368735 | 0.52 | NA | NA | 3.45 | NA | NA | 0.42 | 1.82 | 0.08 | NA | 2.18 | 0.81 | 0.42 | 0.59 | NA |
| 13C Y (Pseudouridine) | ME368545 | 0.57 | 1.25 | NA | 1.62 | NA | NA | NA | 0.56 | 3.10 | NA | 0.49 | 0.60 | NA | NA | 0.94 |
| Benzoic acid | ME368597 | 0.65 | 0.08 | NA | 0.59 | NA | NA | 0.63 | 0.63 | 3.51 | NA | 0.34 | 0.15 | 0.50 | 1.40 | 0.09 |
| 13C Gluconic acid | ME368451 | 0.32 | 0.38 | NA | 3.70 | NA | NA | NA | 0.42 | 1.21 | NA | 0.20 | 0.69 | NA | NA | 0.34 |
| Citraconic acid | ME368607 | 0.16 | NA | NA | 3.19 | NA | NA | 0.28 | 0.27 | 1.41 | NA | 0.16 | NA | 0.46 | 1.70 | NA |
| Aspartic acid | ME368594 | 0.15 | 0.17 | NA | 1.42 | NA | NA | NA | 0.15 | 0.29 | NA | 0.36 | 2.88 | NA | NA | 0.56 |
| N-Isovalerylglycine | ME368714 | 0.39 | 0.14 | NA | 2.11 | NA | NA | NA | 1.10 | 0.38 | NA | 0.25 | 0.75 | NA | NA | 1.89 |
| Gluconic acid | ME368654 | 0.62 | 1.39 | NA | 1.30 | NA | NA | NA | 0.31 | 1.01 | NA | 0.66 | 1.72 | NA | NA | 0.66 |
| Fumarate_analog_1 | ME368649 | 0.88 | 0.69 | NA | 0.93 | NA | NA | NA | 1.68 | 0.77 | NA | 0.72 | 0.96 | NA | NA | 0.98 |
| Isoleucine | ME368676 | 0.24 | 0.53 | NA | 1.43 | NA | NA | NA | 0.99 | 0.96 | NA | 0.99 | 1.43 | NA | NA | 0.76 |
| Arachidonic acid (ARA) | ME368591 | 0.92 | 0.53 | NA | 1.39 | NA | NA | NA | 0.91 | 1.50 | NA | 0.79 | 0.97 | NA | NA | 0.88 |
| Docosahexaenoic acid (DHA, FAC22:6n3) | ME368639 | 0.63 | 0.54 | NA | 1.38 | NA | NA | NA | 1.03 | 1.51 | NA | 0.96 | 0.97 | NA | NA | 1.00 |
| Fumarate | ME368648 | 0.52 | 0.59 | 0.59 | 1.13 | 5.32 | NA | 0.47 | 0.43 | 0.31 | NA | 0.92 | 1.32 | 2.62 | 0.83 | 0.55 |
| Fructose | ME368645 | 0.30 | 0.05 | 1.07 | 0.09 | 1.51 | 1.07 | 0.39 | 0.86 | 0.69 | 4.51 | 3.29 | 0.83 | 1.69 | 0.70 | 0.08 |
| Isocitrate | ME368675 | 0.03 | 0.05 | 0.21 | 0.20 | NA | NA | 0.04 | 0.04 | 0.09 | NA | 5.81 | 1.18 | 5.11 | 0.20 | 0.04 |
| Cystine | ME368616 | 0.05 | 0.07 | 3.82 | 0.04 | 0.69 | NA | NA | 0.15 | 0.13 | NA | 1.76 | 1.09 | 4.81 | NA | 0.07 |
| Azelaic acid | ME368596 | 0.33 | 0.58 | 3.55 | 0.35 | 2.46 | 0.78 | 0.48 | 0.34 | 1.47 | 2.38 | 1.32 | 1.10 | 1.85 | 0.56 | 0.27 |
| Sucrose | ME368764 | 0.01 | 0.02 | 2.21 | 0.02 | 2.02 | 1.52 | NA | 0.01 | 1.17 | 0.95 | 2.02 | 0.96 | 3.86 | 1.93 | 0.01 |
| Adipic acid | ME368582 | 0.15 | 0.49 | 1.29 | 0.35 | 1.34 | 3.62 | 0.32 | 0.37 | 0.37 | 0.76 | 1.23 | 1.40 | 5.81 | 0.58 | 0.15 |
| Salicylic acid | ME368751 | 0.43 | 0.33 | 0.41 | 0.60 | NA | 3.65 | 0.22 | 0.25 | 1.01 | 0.98 | 1.61 | 1.49 | 3.56 | 0.51 | 0.03 |
| 2-Ketobutyric acid | ME368553 | NA | NA | 0.15 | NA | 0.09 | NA | NA | NA | 0.12 | 0.12 | 0.78 | 0.18 | 6.44 | 0.12 | NA |
| Glutaric acid | ME368660 | 0.35 | 0.54 | 0.32 | 0.33 | 0.13 | 0.37 | 0.25 | 0.30 | 0.62 | 0.21 | 0.97 | 2.72 | 4.71 | 0.79 | NA |
| Itaconic acid | ME368678 | 0.48 | 0.00 | 0.33 | 0.61 | 0.09 | NA | 0.07 | 0.16 | 0.54 | 0.25 | 0.64 | 2.57 | 5.83 | 0.27 | NA |
| Malonic acid | ME368703 | 1.19 | 0.02 | 0.08 | 0.76 | 0.14 | 0.40 | 1.63 | 0.24 | 2.39 | 0.22 | 0.89 | 0.45 | 3.19 | 0.81 | 0.03 |
| Lactate | ME368692 | 0.47 | 0.77 | 0.63 | 0.79 | 0.89 | 0.48 | 0.47 | 0.74 | 0.78 | 1.04 | 1.28 | 1.62 | 3.42 | 0.53 | 0.91 |
| Maleic acid | ME368701 | 1.40 | 0.25 | 0.72 | 0.52 | 0.91 | 1.45 | 0.87 | 0.79 | 0.96 | 1.05 | 0.68 | 1.64 | 2.22 | 0.64 | NA |
| Arginine | ME368592 | NA | NA | 0.35 | NA | 0.22 | 1.44 | NA | NA | 0.06 | 0.16 | 2.62 | 1.76 | 2.28 | 0.10 | NA |
| Ornithine | ME368733 | 0.11 | 0.19 | 0.81 | 0.55 | 0.56 | NA | NA | 0.47 | 1.07 | 0.53 | 2.88 | 1.34 | 3.29 | NA | 0.13 |
| Levulinic acid | ME368696 | 0.02 | 0.06 | 0.55 | 0.05 | NA | 0.17 | 0.01 | 0.02 | 0.05 | 0.28 | 0.79 | 7.68 | 7.68 | 0.02 | 0.00 |
| (R)-2-Hydroxybutyric acid | ME368380 | 0.03 | 0.01 | 0.53 | 0.24 | NA | NA | NA | 0.01 | 0.23 | 0.06 | 0.02 | 0.60 | 16.04 | 0.82 | 0.05 |
| 13C Adipic acid | ME368402 | 0.05 | 0.20 | NA | 0.04 | NA | NA | NA | 0.11 | 0.14 | NA | 0.02 | 0.08 | 13.76 | NA | 0.11 |
| alpha-Ketoglutarate | ME368589 | 0.39 | 0.13 | 0.30 | 0.63 | NA | NA | 0.34 | 0.16 | 0.47 | 0.20 | 1.00 | 0.99 | 13.70 | 0.52 | 0.03 |
Factors:
| F1 | Tumor_staging_before_chemo:1 | Chemo_response_numeric:- |
| F2 | Tumor_staging_before_chemo:1 | Chemo_response_numeric:1 |
| F3 | Tumor_staging_before_chemo:1 | Chemo_response_numeric:3 |
| F4 | Tumor_staging_before_chemo:2 | Chemo_response_numeric:- |
| F5 | Tumor_staging_before_chemo:2 | Chemo_response_numeric:1 |
| F6 | Tumor_staging_before_chemo:2 | Chemo_response_numeric:2 |
| F7 | Tumor_staging_before_chemo:3 | Chemo_response_numeric:- |
| F8 | Tumor_staging_before_chemo:3 | Chemo_response_numeric:2 |
| F9 | Tumor_staging_before_chemo:3 | Chemo_response_numeric:3 |
| F10 | Tumor_staging_before_chemo:3 | Chemo_response_numeric:4 |
| F11 | Tumor_staging_before_chemo:4 | Chemo_response_numeric:- |
| F12 | Tumor_staging_before_chemo:4 | Chemo_response_numeric:2 |
| F13 | Tumor_staging_before_chemo:4 | Chemo_response_numeric:3 |
| F14 | Tumor_staging_before_chemo:4 | Chemo_response_numeric:4 |
| F15 | Tumor_staging_before_chemo:- | Chemo_response_numeric:- |
