Data for (Study ST003936)
(Analysis AN006479)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1-Monopalmitin | 0.7591 | 0.9482 | 0.6670 | 0.9076 | 0.8926 | 1.0575 | 1.1593 | 1.0830 | NA | 0.6374 | 1.2727 | 1.1447 | 0.8375 | 1.2810 | 0.7797 | 1.3051 | 0.7784 | 0.9606 |
| 1 monostearin | 1.0686 | 1.0366 | 0.8470 | 0.8121 | 0.9229 | 1.2880 | 0.9639 | 0.4929 | 1.2102 | 0.9097 | 0.9899 | 1.0625 | 0.8277 | 0.9575 | 1.0569 | 1.6899 | 1.0453 | 0.9802 |
| 1-stearoyl-rac-glycerol | 1.0302 | 1.0083 | 0.8008 | 0.8359 | 1.0088 | 1.0023 | 1.5234 | 0.7167 | 1.0893 | 0.9620 | 1.0273 | 1.2744 | 0.9573 | 0.9695 | 0.9175 | 1.1921 | 0.9000 | 1.0426 |
| 2,3-butanediol | 0.9454 | 0.9476 | 0.6375 | 0.9020 | 1.3392 | 1.0044 | NA | 0.5058 | 1.1795 | 0.8578 | 0.9531 | 1.1197 | 0.8067 | 1.1356 | 0.6862 | 1.0954 | 1.0015 | 1.3919 |
| 2-Hydroxy-3-methylbutyric acid | 1.1489 | 0.8992 | 1.0950 | 0.9270 | 0.9642 | 0.9597 | 1.4782 | 0.7726 | 0.6582 | 1.0756 | 1.1537 | 1.1063 | 0.7993 | 0.8931 | 0.9504 | 1.0994 | 0.9708 | 0.9066 |
| 2-Hydroxybutyric acid | 0.8418 | 0.9315 | 0.9310 | 0.8500 | 1.0884 | 0.7930 | 1.6916 | 0.8682 | 1.1784 | 0.8186 | 0.9129 | 1.2734 | 1.0369 | 0.9979 | 1.1480 | 1.2425 | 0.8934 | 0.8893 |
| 2-Hydroxyvaleric acid | 0.9053 | 0.8307 | 0.8095 | 0.7498 | 0.9545 | 1.0091 | 3.0534 | 0.6413 | 0.5495 | 0.9158 | 0.8931 | 1.0178 | 1.0991 | 1.1549 | 1.5125 | 0.7337 | 1.5248 | 0.7145 |
| 2-Keto-3-methylvaleric acid | 0.9111 | 0.8294 | 0.8486 | 0.6733 | 0.9833 | 0.7143 | 1.8326 | 0.5332 | 0.7253 | 0.6679 | 1.2425 | 1.3362 | 0.8099 | 0.9385 | 0.8832 | 1.5845 | 0.6340 | 1.6044 |
| 2-Ketoisocaproic acid | 1.0432 | 0.7804 | 0.9376 | 1.0843 | 0.7841 | 0.8293 | 0.4347 | 1.0937 | 1.1188 | 1.5216 | 0.8454 | 1.0360 | 1.4832 | 1.1298 | 1.1047 | 1.1215 | 1.1338 | 0.8750 |
| 2-ketoisovaleric acid | 0.8053 | 1.1089 | 0.8007 | 0.7997 | 0.9932 | 1.0368 | 1.4538 | 0.5472 | 0.9689 | 0.9340 | 1.1386 | 1.2540 | 0.8014 | 0.9393 | 0.8932 | 1.5251 | 0.9108 | 0.9892 |
| 2-Stearoylglycerol | 1.0708 | 1.1867 | 0.8943 | 0.6297 | 1.0917 | 1.0048 | 1.5229 | 0.6522 | 1.2363 | 0.5776 | 0.9391 | 1.1224 | 0.9981 | 1.0123 | 1.1473 | 1.4325 | 1.0293 | 0.9721 |
| 3-Hydroxybutyric acid | 0.5518 | 0.5924 | 0.7911 | 0.5332 | 1.0111 | 0.8707 | 0.9354 | 1.7804 | 0.6493 | 0.5756 | 0.7737 | 0.9552 | 0.4961 | 0.7819 | 2.6237 | 1.0986 | 2.4088 | 1.1586 |
| 3-indoleacetic acid | 0.8120 | 1.1251 | 0.8137 | 0.8362 | 1.0325 | 1.0418 | 1.5479 | 0.7103 | 0.9102 | 0.8894 | 1.0081 | 1.1030 | 0.9621 | 0.9421 | 1.1211 | 1.2363 | 1.0485 | 1.0375 |
| 5-hydroxy-L-tryptophan | 0.6059 | 1.4203 | 0.7162 | 0.6141 | 0.8555 | 0.6467 | 2.4097 | 0.6452 | 0.5163 | 0.6986 | 1.1251 | 1.8208 | 0.7395 | 1.0401 | 0.8657 | 1.4922 | 0.6804 | 1.1888 |
| a-Hydroxyisobutyric acid | 0.7798 | 1.1913 | 0.8076 | 0.8422 | 0.9940 | 0.9341 | 1.3145 | 0.8073 | 0.8060 | 0.8957 | 1.0567 | 1.1519 | 0.9654 | 1.0473 | 0.9719 | 1.2645 | 1.0150 | 1.0479 |
| alpha ketoglutaric acid | 0.8612 | 1.1495 | 1.0284 | 0.8424 | 1.0670 | 0.9666 | 0.9114 | 0.7386 | 0.7846 | 0.8588 | 0.9355 | 0.8884 | 0.9972 | 1.2589 | 1.1568 | 1.1634 | 1.0070 | 1.0381 |
| Arabitol | 1.2330 | 0.8374 | 1.0793 | 1.1973 | 0.9069 | 0.9527 | 0.1767 | 1.3326 | 0.6597 | 1.1751 | 0.9968 | 0.9205 | 0.9022 | 0.9460 | 0.9966 | 0.6906 | 1.3734 | 1.0592 |
| aspartic acid | 0.4510 | 1.6179 | 0.4915 | 0.6554 | 1.0027 | 1.0935 | 3.2575 | 0.5839 | 0.2943 | 0.8679 | 0.9437 | 1.0721 | 0.8056 | 1.2123 | 1.0386 | 1.7382 | 0.8215 | 1.2285 |
| benzoic acid | 1.0663 | 0.9888 | 0.7762 | 0.8819 | 1.0703 | 0.9698 | 1.2532 | 0.4179 | 0.7993 | 1.4483 | 0.9632 | 1.2785 | 0.8674 | 0.9538 | 1.0491 | 1.1561 | 0.8636 | 1.1055 |
| beta-hydroxyisovalerate | 0.8592 | 0.6714 | 1.9113 | 2.0938 | 1.0797 | 2.0705 | 0.0213 | 2.0110 | 1.6573 | 0.0887 | 0.8217 | 0.5401 | 0.7913 | 0.4267 | 0.5242 | 0.1086 | 0.8611 | 0.7870 |
| capric acid | 1.1072 | 0.9865 | 1.1085 | 0.9043 | 0.9590 | 0.8695 | 1.6817 | 0.8084 | 0.6299 | 1.2464 | 1.1288 | 1.0871 | 0.9335 | 0.8858 | 0.9007 | 1.0894 | 0.9842 | 0.9724 |
| caprylic acid | 0.7594 | 0.7921 | 0.8199 | 0.6031 | 0.9087 | 0.7436 | 1.4659 | 1.2496 | 0.6570 | 1.0317 | 0.8900 | 0.8855 | 0.6861 | 1.5128 | 1.6304 | 0.7855 | 1.7742 | 1.4277 |
| Cholesterol, TMS derivative | 0.7624 | 0.8712 | 1.0552 | 1.1326 | 0.7569 | 1.1714 | 0.2858 | 0.9350 | 1.5404 | 0.9798 | 0.8936 | 0.9607 | 1.0913 | 0.9956 | 1.5628 | 1.2468 | 0.8540 | 0.7074 |
| Citric acid | 1.0098 | 0.9315 | 0.8956 | 0.9413 | 0.9853 | 0.8623 | 0.5062 | 1.1048 | 1.2791 | 0.8305 | 1.0663 | 0.9866 | 0.9088 | 0.9237 | 1.0466 | 0.9446 | 1.4499 | 1.1821 |
| Creatinine | 1.2315 | 0.9650 | 1.4071 | 0.7173 | 1.3835 | 0.6794 | NA | 2.0036 | 1.2345 | 1.2119 | 0.7746 | 1.1210 | 1.2453 | 1.4046 | 0.6563 | 1.0108 | 0.8843 | 0.6404 |
| D-Fructose | 1.2047 | 0.9977 | 0.9168 | 0.7860 | 0.6158 | 0.8957 | NA | 1.5082 | 1.1821 | 1.6459 | 0.8815 | 1.5567 | 1.2857 | 1.3094 | 0.9013 | 0.9511 | 1.0611 | 1.0376 |
| D-glucose | 0.8694 | 1.0156 | 0.8025 | 0.7496 | 1.0525 | 0.8200 | 1.1641 | 0.8616 | 0.7228 | 0.9891 | 1.0149 | 1.0101 | 1.0135 | 1.1421 | 1.1605 | 1.2092 | 1.2781 | 1.0863 |
| DL-isoleucine | 0.8455 | 1.2684 | 0.6599 | 0.7490 | 1.2408 | 0.6065 | NA | 0.7558 | 0.9791 | 2.6992 | 0.8114 | 1.2504 | 1.4613 | 1.5012 | 1.0510 | 0.6327 | 0.6485 | 0.9501 |
| D-malic acid | 0.7302 | 1.1132 | 0.6891 | 1.1128 | 1.1186 | 0.9725 | NA | 0.7601 | 0.9381 | 0.7119 | 0.8523 | 1.0653 | 0.9769 | 1.0257 | 1.1858 | 0.9402 | 1.0267 | 1.2566 |
| D-mannitol | 0.8688 | 0.9922 | 0.8068 | 0.8896 | 1.0604 | 0.8564 | 1.1178 | 1.2935 | 0.6662 | 0.9425 | 1.0660 | 1.1775 | 1.0355 | 0.9551 | 1.0034 | 1.1905 | 0.9303 | 1.0125 |
| D-Ribose | 0.9868 | 1.1191 | 0.9718 | 1.1769 | 0.8870 | 0.8902 | 1.6382 | 0.6636 | 0.6102 | 1.1447 | 0.9617 | 1.1237 | 0.8594 | 0.9990 | 0.8102 | 1.2690 | 0.8073 | 1.0092 |
| D-threitol | 0.8720 | 0.9927 | 0.8275 | 0.8832 | 1.0220 | 0.8221 | 1.3203 | 1.0045 | 0.6860 | 0.9228 | 1.0225 | 1.1474 | 0.9437 | 1.0762 | 0.9909 | 1.1288 | 1.2232 | 1.0045 |
| eicosane | 1.1499 | 0.5518 | 0.8945 | 0.8782 | 0.6106 | 1.9003 | NA | 1.9953 | 2.0647 | 1.0415 | 0.9302 | 1.8162 | 1.8614 | 0.5878 | 0.6538 | 0.6046 | 0.7686 | 0.4953 |
| elaidic acid | 0.6643 | 0.8064 | 0.6132 | 0.5789 | 0.6813 | 0.4645 | 3.4947 | 0.7160 | 0.3899 | 0.6160 | 0.8924 | 1.0440 | 0.8792 | 1.7857 | 0.6286 | 2.6536 | 0.8954 | 1.9433 |
| Erythritol | 0.8968 | 1.1253 | 0.8389 | 0.9400 | 0.9050 | 0.8517 | 1.9091 | 0.8851 | 0.6109 | 1.0791 | 0.9774 | 1.0892 | 0.7682 | 1.2193 | 0.9202 | 1.2682 | 0.8909 | 1.1915 |
| ethanolamine | 0.4865 | 0.8377 | 0.6707 | 0.4333 | 0.6767 | 0.4861 | 4.7711 | 0.7909 | 0.4828 | 0.4653 | 1.0160 | 1.0389 | 0.5888 | 1.9434 | 0.4943 | 2.8016 | 0.7526 | 1.8189 |
| fructose | 1.4925 | 0.5834 | 0.7655 | 0.9546 | 1.2821 | 0.7117 | 0.0252 | 0.9171 | 0.9644 | 1.0117 | 0.9644 | 1.5182 | 1.0975 | 0.9633 | 0.5483 | 1.0841 | 1.5292 | 0.7305 |
| Fumaric acid | 0.8761 | 1.0251 | 0.7575 | 0.8833 | 1.0526 | 0.9425 | 1.1534 | 0.6898 | 0.8665 | 1.1754 | 1.0310 | 1.0875 | 1.0473 | 1.0744 | 1.0019 | 1.1520 | 1.0329 | 1.0019 |
| Galactitol | 0.2567 | 0.3275 | 0.3424 | 0.3140 | 0.2231 | 0.2331 | 6.5596 | 0.3608 | 0.2327 | 0.4108 | 0.9144 | 0.8884 | 0.3755 | 2.9825 | 0.2063 | 4.0006 | 0.3167 | 2.4376 |
| galacturonic acid | 1.3672 | 0.9288 | 1.2919 | 0.8403 | 1.0102 | 0.9110 | 0.1334 | 1.4384 | 0.9133 | 0.9966 | 0.8697 | 0.8056 | 1.1014 | 1.0618 | 1.3032 | 0.8253 | 1.4386 | 0.9582 |
| gluconic acid lactone | 0.8895 | 0.8004 | 0.8775 | 0.5944 | 0.9427 | 0.6088 | 1.8242 | 1.4806 | 0.5664 | 0.6958 | 0.8843 | 0.9047 | 0.6618 | 1.3638 | 1.2158 | 1.7408 | 1.3724 | 1.6990 |
| Glucose | 0.9221 | 1.1909 | 0.7422 | 0.7977 | 1.0164 | 0.8734 | 1.6109 | 0.7346 | 0.6978 | 0.9242 | 1.0018 | 1.1120 | 0.9383 | 1.1071 | 1.0478 | 1.1575 | 1.0846 | 1.1466 |
| Glucuronic acid | 1.0551 | 0.6347 | 1.0613 | 1.4435 | 0.5203 | 1.2293 | NA | 2.8508 | 0.9507 | 2.5350 | 0.7355 | 1.3021 | 1.1656 | 0.9735 | 0.5713 | 0.6240 | 0.8525 | 0.9345 |
| Glutaric acid | 0.8607 | 0.9239 | 0.8743 | 0.9466 | 1.3234 | 0.9296 | 0.3661 | 0.8291 | 0.5599 | 0.6999 | 0.8799 | 0.9317 | 0.9038 | 1.1162 | 1.1517 | 0.9583 | 1.5441 | 0.9777 |
| Glyceric acid | 0.8930 | 1.0476 | 0.8432 | 0.8283 | 1.0165 | 1.0354 | 1.4092 | 0.9537 | 0.7162 | 0.9142 | 0.9160 | 1.1101 | 1.0298 | 1.1064 | 0.9598 | 1.2789 | 1.0147 | 1.2502 |
| glycerol | 0.8421 | 0.6764 | 0.5887 | 0.8621 | 1.7176 | 0.8689 | 0.0419 | 0.5437 | 0.7877 | 1.0489 | 1.0415 | 0.7010 | 1.1166 | 0.6091 | 1.5672 | 1.0146 | 1.5252 | 0.9287 |
| glycine | 0.8912 | 0.9979 | 1.1033 | 1.0470 | 0.9079 | 1.0841 | 0.9500 | 0.5896 | 0.4479 | 0.5168 | 0.9399 | 1.0829 | 1.3252 | 1.0632 | 1.3612 | 0.7416 | 1.0629 | 0.6723 |
| hippuric acid | 0.9057 | 0.8867 | 0.8153 | 1.0244 | 1.2441 | 0.9393 | NA | 0.5437 | 0.7792 | 0.7856 | 0.9719 | 1.1318 | 0.9242 | 0.9246 | 1.2130 | 1.0265 | 0.8436 | 0.9641 |
| hypoxanthine | 1.3054 | 0.7073 | 1.2737 | 0.9223 | 0.8969 | 0.8200 | 0.0000 | 0.8606 | 0.8036 | 1.1020 | 0.9968 | 1.2301 | 1.3418 | 1.1361 | 1.2412 | 0.9892 | 0.8130 | 0.7086 |
| iminodiacetic acid | 0.9107 | 1.1409 | 0.6188 | 0.6875 | 0.9491 | 0.8346 | 1.5218 | 0.9100 | 1.3398 | 1.6356 | 0.9882 | 1.2914 | 0.9571 | 1.1898 | 1.0853 | 1.1963 | 1.0423 | 0.8214 |
| L-alanine | 1.1046 | 1.0864 | 1.0336 | 0.9185 | 0.6377 | 1.3251 | NA | 1.3562 | 1.4935 | 1.9057 | 0.7987 | 1.2721 | 1.2005 | 1.4192 | 0.7092 | 0.9920 | 1.0002 | 0.7234 |
| L-allothreonine | 0.7212 | 1.0405 | 0.6591 | 0.7100 | 1.1079 | 0.8553 | 1.5661 | 0.8747 | 0.6678 | 0.8639 | 0.9390 | 1.5118 | 0.8794 | 1.0524 | 0.8980 | 1.3773 | 1.1178 | 1.2220 |
| L-Allo-threonine | 1.3368 | 0.9905 | 0.9133 | 0.9749 | 0.7684 | 0.9361 | 0.0010 | 1.0580 | 1.9652 | 1.3939 | 0.9217 | 1.1921 | 1.3966 | 1.1958 | 0.7742 | 0.9170 | 1.1327 | 0.6890 |
| Lauric acid | 0.8311 | 0.9961 | 0.7501 | 0.8231 | 0.9774 | 0.8090 | 1.2619 | 0.7867 | 0.6863 | 1.1386 | 1.0097 | 1.1842 | 0.8241 | 1.0712 | 1.1502 | 1.1130 | 1.1609 | 1.3476 |
| L-(-)-Fucose | 1.1484 | 0.9483 | 0.9243 | 0.9942 | 0.9500 | 0.9891 | 0.5976 | 0.8867 | 0.7717 | 0.9089 | 0.8941 | 0.9607 | 1.1111 | 1.0805 | 1.1675 | 0.8723 | 1.1131 | 1.2840 |
| L-glutamic acid | 1.1913 | 0.7621 | 1.0867 | 1.0296 | 0.7795 | 0.9801 | 0.7003 | 1.2726 | 0.8164 | 1.6204 | 0.9877 | 1.1892 | 1.1705 | 1.1125 | 0.8666 | 0.9165 | 1.1088 | 0.7329 |
| L-glutamine | 0.6764 | 1.2872 | 0.7932 | 0.7130 | 1.2026 | 0.7843 | 2.3742 | 0.6359 | 0.4485 | 1.0932 | 0.9693 | 0.9635 | 0.8176 | 0.9886 | 1.1106 | 1.4374 | 1.1318 | 1.2905 |
| L-Isoleucine | 0.7789 | 1.2294 | 0.7036 | 0.9746 | 0.9154 | 0.7857 | 1.2656 | 0.3490 | 0.7752 | 1.2099 | 0.9542 | 1.0429 | 1.2575 | 1.0788 | 0.9290 | 1.1422 | 1.4880 | 1.0493 |
| L-(+) lactic acid | 0.8215 | 1.1106 | 0.8763 | 0.8233 | 0.9569 | 0.7631 | 1.2929 | 0.8477 | 0.7074 | 0.9271 | 1.0124 | 1.0382 | 0.9478 | 1.1629 | 1.1078 | 1.3258 | 1.1117 | 1.1255 |
| L-leucine | 1.0974 | 0.9389 | 0.8550 | 1.0197 | 0.7056 | 1.0146 | NA | 1.5502 | 1.4949 | 1.5564 | 0.9372 | 1.4209 | 1.3173 | 1.4263 | 0.6896 | 0.6707 | 0.8560 | 0.6172 |
| L-Lysine | 0.9495 | 1.0956 | 0.8901 | 0.8103 | 1.2470 | 1.1470 | NA | 1.2335 | 1.5013 | 1.3850 | 0.9006 | 1.3255 | 1.2479 | 1.2568 | 0.6830 | 0.7899 | 0.7709 | 0.5951 |
| L-methionine | 0.9070 | 1.0620 | 0.9088 | 0.8879 | 1.0375 | 0.9020 | 0.9670 | 0.8135 | 0.9650 | 1.2283 | 0.9508 | 1.2173 | 1.1388 | 0.9898 | 1.0651 | 0.9974 | 0.8766 | 1.1061 |
| L-Phenylalanine | 1.2758 | 1.0196 | 1.1931 | 1.0347 | 1.2612 | 0.8156 | 0.0376 | 0.7874 | 0.6513 | 1.3799 | 0.9532 | 1.1784 | 1.1006 | 1.1504 | 0.8026 | 0.9969 | 0.7082 | 0.6593 |
| L-proline | 1.1141 | 0.9606 | 1.3008 | 1.0785 | 0.8251 | 1.0206 | 0.4786 | 0.9922 | 1.0096 | 1.4984 | 0.8663 | 0.8850 | 1.1008 | 1.0531 | 1.1966 | 0.9302 | 1.0588 | 0.9355 |
| L-pyroglutamic acid | 0.9281 | 0.8846 | 0.8423 | 0.7692 | 0.8844 | 0.8477 | 1.6683 | 0.9771 | 0.6952 | 1.0912 | 0.9985 | 1.1279 | 0.8095 | 1.1889 | 1.2385 | 0.9166 | 1.2968 | 1.2663 |
| L-Serine | 1.4493 | 0.8388 | 0.9052 | 0.6445 | 0.8564 | 0.8511 | 1.9016 | 0.7413 | 1.0417 | 1.3402 | 1.0300 | 0.9741 | 0.8292 | 1.2898 | 1.0997 | 1.0380 | 1.2283 | 1.1260 |
| L-Threonine | 0.9342 | 1.1298 | 0.7764 | 0.7091 | 1.0726 | 0.8407 | 1.1525 | 1.1267 | 1.2005 | 1.3096 | 0.9726 | 1.0786 | 1.0454 | 0.8602 | 1.2555 | 1.1388 | 1.2647 | 1.0983 |
| L-tryptophan | 0.9762 | 1.2300 | 0.6586 | 0.9418 | 0.8205 | 0.9000 | NA | 0.9427 | 1.5021 | 1.1886 | 0.8623 | 2.0466 | 0.8689 | 1.5911 | 0.3532 | 1.6323 | 0.7323 | 0.4246 |
| L-valine | 0.6640 | 0.7371 | 1.5101 | 0.5311 | 1.6550 | 0.5535 | 0.4467 | 1.2036 | 0.2735 | 0.8738 | 0.7916 | 1.1042 | 0.9758 | 1.5131 | 0.9590 | 1.0403 | 1.4047 | 0.9218 |
| Maltose | 0.9091 | 0.6096 | 1.7147 | 0.7999 | 0.7991 | 0.8024 | NA | 1.5169 | 1.2820 | 1.9241 | 0.8711 | 2.3780 | 0.9217 | 0.9889 | 0.3516 | 0.9084 | 1.3087 | 0.4469 |
| Mannose | 0.8462 | 1.1235 | 0.8221 | 0.8265 | 0.9923 | 0.9730 | 1.6167 | 0.8075 | 0.8267 | 0.9610 | 1.0365 | 1.0983 | 0.8230 | 1.0547 | 1.0544 | 1.1188 | 1.0683 | 1.1744 |
| Methyl Heptadecanoate D33 | 0.8146 | 1.1237 | 0.5565 | 1.2611 | 0.9456 | 0.3562 | 1.3270 | 0.7286 | 0.3152 | 1.7815 | 0.6205 | 1.0859 | 2.0671 | 0.6882 | 1.0954 | 1.0118 | 2.0031 | 0.9174 |
| Myristic acid | 0.9773 | 0.9180 | 0.8179 | 0.7560 | 0.8990 | 0.7939 | 1.3994 | 0.8736 | 0.9158 | 1.0040 | 0.9798 | 1.1099 | 0.7957 | 1.1659 | 1.1973 | 1.1853 | 1.3206 | 1.2814 |
| nicotinic acid | 0.8463 | 1.2981 | 0.7710 | 0.8569 | 1.1783 | 0.8750 | 0.2622 | 0.9397 | 0.7105 | 0.7915 | 1.0004 | 1.0532 | 1.0355 | 0.9036 | 1.1893 | 0.9360 | 1.2517 | 1.3072 |
| N-methylalanine | 0.7674 | 1.2422 | 0.7939 | 0.9845 | 0.8186 | 0.8153 | NA | 0.6697 | 0.8272 | 1.5765 | 0.9031 | 1.2811 | 1.3841 | 1.2602 | 0.6402 | 1.0963 | 0.9774 | 1.5630 |
| N-Methyl-L-Alanine | 1.2686 | 0.7903 | 1.2071 | 0.9901 | 0.7662 | 0.9256 | NA | 0.9129 | 1.1258 | 1.6690 | 0.9667 | 1.6593 | 1.1344 | 1.0964 | 0.8117 | 0.7140 | 0.7769 | 0.7394 |
| Octadecanol | 0.8907 | 0.6641 | 0.8293 | 0.9974 | 1.1612 | 0.9953 | NA | 0.5263 | 0.8616 | 0.6537 | 1.0317 | 1.2545 | 1.0414 | 0.8924 | 1.1084 | 1.1901 | 0.8630 | 1.1572 |
| oleic acid | 0.6884 | 0.5950 | 0.8081 | 0.5299 | 0.7276 | 0.6176 | 4.4218 | 1.0038 | 0.6090 | 0.5459 | 0.7844 | 1.0622 | 0.6501 | 1.6054 | 0.9818 | 2.1826 | 1.2133 | 1.8444 |
| oxalic acid | 1.1902 | 0.8133 | 1.2764 | 0.9452 | 0.6017 | 0.9435 | NA | 0.9317 | 1.2676 | 1.7192 | 0.8949 | 1.6159 | 1.1647 | 1.0498 | 0.9450 | 1.0254 | 0.8673 | 0.9336 |
| palmitic acid | 0.8206 | 0.9481 | 0.8335 | 0.7099 | 0.9261 | 0.7223 | 1.6976 | 1.1150 | 0.4892 | 0.7942 | 1.0237 | 1.0575 | 0.7736 | 1.1002 | 0.9274 | 1.3842 | 1.2881 | 1.9669 |
| palmitoleic acid | 0.6915 | 0.8938 | 1.2998 | 0.6940 | 0.9487 | 0.8106 | 1.5178 | 0.8612 | 0.3724 | 0.7775 | 0.8317 | 1.8887 | 0.7126 | 1.0625 | 0.6577 | 1.4300 | 1.0233 | 1.5624 |
| p-cresol | 1.4405 | 1.3982 | 1.2244 | 0.8805 | 1.1657 | 1.0497 | 1.2859 | 0.9217 | 0.7214 | 1.0463 | 0.7081 | 0.8829 | 0.8669 | 0.6951 | 1.0590 | 0.7655 | 0.8873 | 2.0832 |
| Phenol | 0.9901 | 1.0496 | 0.6738 | 0.8954 | 1.0169 | 1.1158 | 1.0506 | 0.5647 | 0.9181 | 1.4145 | 1.0841 | 1.0123 | 0.8784 | 0.9857 | 1.0455 | 1.2777 | 0.9695 | 0.9846 |
| Phenylalanine | 0.7240 | 0.6372 | 1.3303 | 0.9820 | 1.0434 | 0.6715 | 0.0497 | 0.8798 | 0.8415 | 1.1959 | 1.1436 | 1.4120 | 1.1285 | 0.8161 | 0.8669 | 1.1799 | 1.4475 | 0.5133 |
| phosphoric acid | 0.7955 | 1.0241 | 0.6679 | 0.7732 | 1.2448 | 0.7246 | 0.9959 | 0.7223 | 0.8463 | 1.0588 | 1.5803 | 0.9990 | 0.7936 | 0.8501 | 0.8594 | 1.0646 | 0.7365 | 1.0302 |
| pimelic acid | 0.8491 | 1.1859 | 1.0774 | 0.9733 | 1.0967 | 1.0566 | 0.5325 | 0.5294 | 0.6124 | 1.2390 | 0.8748 | 0.7317 | 1.4021 | 1.2885 | 1.1492 | 0.9296 | 0.9565 | 0.8878 |
| pyruvic acid | 0.8715 | 0.8650 | 0.9514 | 1.1409 | 1.0292 | 1.3346 | 0.0914 | 0.7006 | 1.0795 | 0.9658 | 0.8331 | 0.8645 | 0.9047 | 0.9121 | 1.2446 | 0.8837 | 1.5255 | 1.2337 |
| salicylic acid | 0.7850 | 1.1011 | 0.9657 | 0.9005 | 1.0631 | 0.8657 | 1.0320 | 0.8124 | 0.6720 | 1.0932 | 0.9939 | 1.0670 | 1.0558 | 0.9854 | 1.0320 | 1.0932 | 1.1469 | 1.1300 |
| Sarcosine | 0.7835 | 0.9330 | 1.2968 | 1.3285 | 0.7934 | 1.2483 | NA | 1.6425 | 0.2790 | 1.6262 | 0.8325 | 0.6120 | 0.9310 | 0.7767 | 1.0178 | 0.9509 | 0.9689 | 1.4134 |
| Sinigrin | 0.7389 | 0.8584 | 0.7487 | 0.7613 | 1.1007 | 1.2265 | 0.4042 | 1.4288 | 0.5218 | 0.7835 | 0.9427 | 1.2762 | 1.1252 | 0.9405 | 1.2221 | 0.8511 | 1.1310 | 1.4758 |
| stearic acid | 0.7996 | 1.1388 | 0.7925 | 0.6932 | 0.8573 | 0.5543 | 2.5314 | 0.9434 | 0.4403 | 0.7838 | 0.9779 | 1.1014 | 0.9129 | 1.4055 | 0.7614 | 1.7725 | 1.0006 | 1.5067 |
| Succinic acid | 0.9793 | 0.9258 | 0.8048 | 0.8857 | 0.8863 | 0.9858 | NA | 1.2202 | 0.9228 | 1.6388 | 0.8718 | 1.4112 | 1.3247 | 1.4515 | 0.6706 | 0.9276 | 0.9345 | 0.8960 |
| talose | 0.8981 | 1.1660 | 0.7265 | 0.7958 | 0.9849 | 0.8392 | 1.4037 | 0.7535 | 0.7348 | 0.9592 | 0.9954 | 1.1200 | 0.9706 | 1.1582 | 1.1134 | 1.2409 | 1.0622 | 1.0637 |
| tartronic acid | 0.8139 | 0.8663 | 0.9767 | 1.0803 | 0.7688 | 1.1808 | 0.3617 | 0.7298 | 1.6024 | 1.1260 | 0.9592 | 1.0290 | 1.1254 | 0.9692 | 1.4922 | 1.2338 | 0.8304 | 0.6505 |
| threonic acid | 1.0482 | 1.1345 | 0.8820 | 0.7698 | 1.0948 | 0.8754 | 1.1486 | 1.3132 | 0.6730 | 1.0866 | 0.9563 | 1.0699 | 0.9344 | 1.0396 | 1.0456 | 0.8098 | 1.3330 | 1.2288 |
| trans-4-hydroxy-L-proline | 1.1323 | 0.5613 | 1.0245 | 0.5783 | 0.8567 | 0.5813 | 1.5510 | 1.1937 | 1.0887 | 0.9310 | 0.8245 | 0.8188 | 0.7922 | 1.3530 | 1.4001 | 0.6305 | 2.4265 | 1.7788 |
| triethanolamine | 0.7869 | 1.4086 | 1.4081 | 0.7486 | 1.3480 | 0.6689 | 1.7334 | 0.4582 | 0.3673 | 0.4500 | 0.7415 | 1.3853 | 0.5523 | 1.1387 | 0.5603 | 1.5234 | 0.8463 | 1.6247 |
| tyrosine | 0.7471 | 1.7254 | 0.5967 | 0.7652 | 0.8342 | 1.2105 | 2.9111 | 0.5350 | 0.7418 | 0.5321 | 0.8672 | 1.6007 | 0.5024 | 1.7442 | 0.4927 | 0.9585 | 0.8159 | 0.8931 |
| urea | 0.7818 | 1.3894 | 0.5917 | 0.9923 | 1.0143 | 1.7497 | 1.0331 | 0.6342 | 0.4866 | 0.9094 | 0.7433 | 0.9360 | 0.9785 | 0.6681 | 1.4973 | 1.4918 | 1.0583 | 1.0796 |
Factors:
| F1 | Subtype:Basal like | Stage:III | Sample source:Plasma |
| F2 | Subtype:Basal like | Stage:II | Sample source:Plasma |
| F3 | Subtype:Basal like | Stage:NA | Sample source:Plasma |
| F4 | Subtype:Control | Stage:Control | Sample source:Plasma |
| F5 | Subtype:HER2 | Stage:III | Sample source:Plasma |
| F6 | Subtype:HER2 | Stage:II | Sample source:Plasma |
| F7 | Subtype:HER2 | Stage:I | Sample source:Plasma |
| F8 | Subtype:HER2 | Stage:IV | Sample source:Plasma |
| F9 | Subtype:HER2 | Stage:NA | Sample source:Plasma |
| F10 | Subtype:Luminal A | Stage:III | Sample source:Plasma |
| F11 | Subtype:Luminal A | Stage:II | Sample source:Plasma |
| F12 | Subtype:Luminal A | Stage:I | Sample source:Plasma |
| F13 | Subtype:Luminal A | Stage:NA | Sample source:Plasma |
| F14 | Subtype:Luminal B | Stage:III | Sample source:Plasma |
| F15 | Subtype:Luminal B | Stage:II | Sample source:Plasma |
| F16 | Subtype:Luminal B | Stage:I | Sample source:Plasma |
| F17 | Subtype:Luminal B | Stage:IV | Sample source:Plasma |
| F18 | Subtype:Luminal B | Stage:NA | Sample source:Plasma |