metabolite_name V-11 V-12 V-21 V-22 M-11 M-12 M-21 M-22 W-11 W-12 W-21 W-22 RI-11 RI-12 RI-21 RI-22 RF-11 RF-12 RF-21 RF-22 ML-11 ML-12 ML-21 ML-22 VC-11 VC-12 VC-21 VC-22 MC-11 MC-12 MC-21 MC-22 WC-11 WC-12 WC-21 WC-22 RIC-11 RIC-12 RIC-21 RIC-22 RFC-11 RFC-12 RFC-21 RFC-22 MLC-11 MLC-12 MLC-21 MLC-22 1,3-dihydroxyacetone 1.7844 1.2377 0.9527 2.6115 0.4589 0.6014 0.5387 0.6109 1.1824 0.8835 2.1101 1.4178 0.9056 1.2053 1.6624 1.1804 1.0983 1.9040 1.2777 1.8868 0.7707 1.0523 0.8944 6.1915 0.8381 1.1034 0.3709 1.0239 0.1403 0.2213 0.2491 0.7461 0.4315 0.9477 0.4359 2.1218 1.5666 1.0737 0.8255 0.5585 0.3879 0.3184 0.5315 0.9761 5.7286 1.0970 4.8932 1.7681 1,6-anhydroglucose 1.0120 1.7538 0.8827 2.5325 0.5213 0.4784 0.4639 0.8181 2.0106 0.9880 0.2041 2.2884 0.7576 1.2934 1.3674 2.7497 2.0159 1.9149 2.1732 3.5600 0.3651 0.7660 0.7330 2.0214 1.1826 1.1759 1.2317 0.8546 0.2041 0.5720 0.8650 0.9598 0.6330 1.0344 0.5422 3.2322 1.4949 1.4586 1.0000 1.0100 0.4431 0.5077 0.8863 0.7989 1.1479 0.4748 4.0580 0.5557 1-myristoylglycerol (1-monomyristin) 0.9047 1.3651 0.0561 1.2376 1.1562 0.5727 0.1271 1.3959 0.9326 1.1881 1.2728 1.9191 0.5266 0.6958 0.9956 0.9840 0.6344 1.5257 1.6436 1.9548 0.7057 0.8487 0.2899 0.4448 1.5156 1.7656 1.0512 0.9606 1.3982 1.3136 0.7290 1.6159 1.0878 0.9083 1.0735 1.2726 0.8316 1.0426 0.8530 0.8038 1.0027 1.1040 1.0062 0.7253 0.8445 0.9973 0.0561 1.0000 1-palmitoylglycerol (1-monopalmitin) 0.7523 1.2184 0.0374 0.5986 1.1898 0.3896 0.0355 1.7219 1.2817 1.8652 1.3217 2.4327 0.5259 0.7971 0.8672 1.0947 0.5320 1.6136 1.6407 1.7085 0.6937 0.9480 0.0502 0.4512 1.6327 1.6095 1.1665 0.9665 1.4372 1.5981 0.8688 1.8216 1.2020 1.0438 1.0335 1.3210 0.4600 1.1590 0.7859 0.7840 0.9527 0.8888 1.2119 0.6770 0.9562 0.9065 0.0458 1.0982 1-stearoylglycerol (1-monostearin) 0.6341 1.3448 0.0156 0.5532 1.3258 0.3346 0.0128 1.6478 1.3355 1.6819 1.4544 3.1567 0.4585 0.7664 1.0130 1.0845 0.4544 1.7517 1.5346 1.9883 0.7272 1.0702 0.0164 0.3823 1.4239 1.3737 1.1256 0.9870 1.3129 1.6146 0.7076 2.2528 1.0388 1.0435 0.9243 1.3653 0.4119 0.9503 0.9853 0.7887 0.7797 0.7491 1.1684 0.5618 0.9612 0.9447 0.0135 1.0300 2-aminoadipate 5.8748 4.4912 1.0000 3.5411 0.1265 0.1738 0.1567 0.1265 1.6840 0.1265 1.5996 1.4668 1.9334 1.1431 0.1265 0.9358 0.6517 2.4147 1.0796 1.1606 0.1265 0.1265 0.2142 0.1265 0.4156 0.8569 0.1265 0.1265 0.1265 0.1265 0.1265 0.1265 0.1265 0.3479 0.1265 0.3573 0.1265 0.1265 0.2909 0.1265 0.1265 0.1265 0.1265 0.1265 0.1265 0.1265 0.1265 0.1265 2-aminobutyrate 2.9430 2.1811 1.0799 3.2664 0.2199 0.2199 0.2199 0.2199 1.3275 1.2082 2.2294 2.0226 0.8028 1.0000 2.5794 2.0552 1.7065 3.7340 1.9984 3.8135 0.2585 0.3265 0.3263 0.5869 1.3796 1.8099 0.2811 0.8201 0.2349 0.2199 0.2199 0.2199 0.7937 0.9302 0.9201 1.5943 1.0765 1.7315 0.6690 0.6896 0.4284 0.3032 0.7091 0.3105 0.7180 0.3688 2.3161 0.2199 2-hydroxyglutarate 4.5761 3.8492 2.3009 4.8821 0.3987 0.1391 0.3053 0.8625 0.5515 0.4154 1.0000 1.6290 2.5237 0.8928 2.9968 5.3137 6.8339 5.0929 6.2404 3.6556 0.2703 0.8829 0.1391 0.7204 2.5688 3.4976 0.6500 2.1106 0.4554 0.8771 0.1391 0.6892 0.6504 2.6603 0.7777 4.6154 4.8657 2.1739 0.1391 0.4500 0.9716 0.2032 0.8834 0.1391 2.0240 1.0000 4.7078 0.2329 2-linoleoylglycerol (2-monolinolein) 0.9766 0.4469 0.3038 0.8787 0.3038 0.3038 0.3038 0.3038 0.3038 0.3038 0.3038 0.3038 0.3038 0.3038 0.3038 0.6568 1.8027 1.0000 1.1213 2.0470 0.3038 0.3038 0.3038 0.3038 0.8766 1.0302 0.3038 0.3038 0.3038 0.3038 0.3038 0.3038 1.3761 0.7163 0.3038 0.3038 1.8233 0.8822 0.3038 0.4989 1.5765 0.3038 1.1267 0.3038 1.0680 0.3038 0.3038 0.3038 2-palmitoylglycerol (2-monopalmitin) 1.4087 1.6133 0.3595 1.8477 0.7923 0.4548 0.1850 1.2966 0.9865 1.1825 2.0695 3.7068 0.5019 0.6946 0.9733 1.0243 0.8241 2.0493 1.0162 1.1541 0.8038 1.2249 0.4647 0.7421 0.6915 0.9624 0.5721 0.8799 0.4590 1.2047 0.8107 1.8616 1.0135 0.4971 0.7105 0.9602 0.7266 1.2947 1.4698 1.2070 1.4838 1.2878 1.7739 0.9895 1.2671 1.4064 0.5615 1.0105 2-stearoylglycerol (2-monostearin) 1.1231 1.6260 0.2710 0.7050 0.7986 0.2710 0.2710 0.7668 1.0000 0.2710 0.2710 2.7524 0.2710 0.4958 1.2750 0.7311 0.2710 1.6406 1.6397 1.0000 0.2710 0.9812 0.2710 0.2710 0.2821 0.7187 0.2710 1.0524 0.5457 1.0515 0.6909 1.5961 0.2710 0.2710 0.9161 0.2710 0.4566 1.0365 1.0868 0.9518 1.4620 1.4178 1.3271 0.2710 0.2710 1.0988 0.2710 0.9839 3-deoxyoctulosonate 1.9613 1.5849 1.0011 2.6027 0.1419 0.1533 0.1419 0.1419 1.0078 1.0237 1.3973 0.8486 0.7620 0.5958 0.9607 1.0000 1.5900 1.6769 1.7169 1.3589 0.1419 0.4251 0.2335 0.1419 0.9344 1.1308 0.1419 0.6912 0.1419 0.1419 0.1419 0.1419 0.3326 0.2392 0.1419 1.2476 0.9922 1.0315 0.2297 0.1419 0.1916 0.1419 0.1787 0.1419 1.1472 0.1419 2.6104 0.1419 5-aminovalerate 2.3057 2.2861 1.2667 3.8689 0.3851 0.5338 0.3947 0.5894 1.6406 1.5473 4.3418 3.3884 1.6522 2.1187 3.5554 3.3144 1.9830 1.9450 2.9950 2.0802 0.3414 0.8145 0.5356 1.1218 0.8940 1.1459 0.5895 1.1941 0.2193 0.4742 0.5436 0.5134 0.3443 0.6895 0.5818 1.8315 1.2428 1.3561 0.8782 0.3789 0.4328 0.4078 0.5830 0.6494 1.1060 0.4516 5.5453 0.4587 alanine 3.8478 3.4389 1.8072 6.4129 0.4512 0.4102 0.4169 0.6635 1.9681 1.7456 3.3694 2.9161 1.2529 1.6964 2.7637 1.6216 1.4339 3.0892 1.7674 4.2863 0.2508 0.3988 0.2448 0.8916 1.2164 1.2842 1.1084 0.4372 0.3555 0.3538 0.4841 0.6199 0.7651 0.8068 1.1548 1.5476 0.5989 1.5503 0.4056 0.4816 0.3473 0.3148 0.5392 0.5504 1.1932 0.3105 1.7948 0.2806 allantoin 1.0000 1.2503 0.3013 2.7785 0.0314 0.2408 0.0314 0.0314 3.6958 1.0082 3.0119 2.8101 4.4302 3.1101 3.9039 3.3930 1.9920 0.9164 1.6612 0.4396 0.0452 1.2518 0.0314 0.0314 0.7526 0.5249 0.0314 1.2557 0.0314 0.0314 0.0314 0.0314 0.0314 0.0314 0.0314 0.3277 0.2602 1.0883 0.1623 0.0314 0.2838 0.1083 0.2174 0.0314 0.0314 0.0314 0.7443 0.0314 alpha-ketoglutarate 2.9928 2.5749 1.6383 4.7394 0.3361 0.4141 0.2361 0.4895 1.5360 0.9733 2.4382 1.6995 1.2334 1.3362 2.9753 5.1135 4.2301 4.6319 6.8515 4.0325 0.2484 0.4343 0.2290 1.0516 1.8834 2.7182 0.9484 1.1471 0.1404 0.1834 0.2645 0.2921 0.2965 1.0267 0.2730 2.4147 2.6303 2.2096 0.6010 0.6065 0.6800 0.4430 0.8675 0.4278 0.9556 0.3273 2.0831 0.0858 alpha-tocopherol 2.1597 1.2570 0.1205 1.3355 3.0616 1.2936 0.4006 6.7436 1.5577 0.4095 1.1288 0.3471 1.1133 0.9425 0.8475 0.8477 1.0893 1.3396 1.2059 1.3171 1.9415 1.7305 1.4712 1.4487 0.5333 0.5619 0.1205 0.1205 0.5170 0.5740 0.5598 1.1366 0.4539 0.8705 0.6204 1.1858 2.5878 0.7091 0.7769 0.8712 0.8137 0.8796 0.8400 0.6020 1.0230 0.9770 1.4997 2.1228 arabinose 5.4014 3.9815 1.5967 5.6368 0.6075 0.7416 0.8476 0.7086 1.0330 1.1720 1.7492 1.9023 1.3306 1.1567 2.2119 2.4031 2.3516 2.5930 2.4811 2.0010 0.5729 0.4804 0.6060 1.2804 1.1805 1.9928 0.4368 0.6225 0.2855 0.5564 1.1056 0.8944 0.7377 0.9670 0.7417 1.5718 1.5852 0.8279 0.6667 0.3812 0.4258 0.6722 0.5215 0.3970 1.9678 0.4843 6.1116 0.3538 arabitol 2.2587 1.3210 0.5352 1.5044 0.3408 0.8177 0.1019 0.1019 1.0000 0.8261 1.5821 1.4267 2.2498 1.2229 2.5769 2.0374 2.4319 1.5810 1.8192 1.8344 0.3415 0.1019 0.1019 0.4207 1.2916 1.4048 0.3712 0.1019 0.1019 0.1533 0.1019 0.1019 0.4791 0.7027 0.1019 1.2484 1.7749 0.8168 0.7516 0.1568 0.4410 0.2061 0.2966 0.3687 1.0844 0.1019 2.3488 0.2669 arginine 10.3672 11.7506 5.6923 19.4001 0.2154 0.9016 0.8914 0.5929 18.6639 18.0912 62.1138 50.8445 18.4737 22.1613 42.2987 16.1362 1.4453 6.3471 2.7422 6.2326 0.2655 3.4565 0.0798 1.4803 1.0324 1.2271 0.4691 0.7945 0.1963 0.0613 0.3304 0.1857 0.3536 0.8153 1.1086 2.4948 0.8166 1.2478 0.8683 0.4509 0.1929 0.1204 0.6891 0.4820 0.9676 0.2849 9.0541 0.2535 ascorbate (Vitamin C) 1.2238 1.4985 0.6782 2.3149 0.7058 0.6188 0.1280 0.4974 0.7676 0.3480 1.0486 0.8086 1.3354 0.5536 2.0097 3.0082 2.7464 1.4540 2.5738 2.5955 0.4580 0.4051 0.6169 1.3761 2.1280 1.9443 0.5843 1.7572 0.3799 0.6805 0.4177 0.4223 2.7160 2.0287 1.3954 4.4827 3.2834 2.1184 0.9105 1.0196 0.4700 0.4752 0.9804 0.2944 4.0866 0.7762 1.6067 0.3943 asparagine 25.8564 16.9959 10.1535 31.4529 0.0816 0.9650 0.5736 0.1940 17.2360 15.5597 35.5638 25.2445 17.8940 15.0436 30.6963 11.3812 2.9362 5.0247 1.5199 2.0004 0.4847 5.2473 0.0328 2.4697 1.0840 1.0350 0.0778 0.7141 0.0362 0.0195 0.0596 0.0600 0.3100 0.2765 0.2676 0.6042 0.2894 1.3387 1.9153 0.1100 0.1514 0.0935 1.1325 0.8675 0.6857 0.1014 5.9810 0.0345 aspartate 4.2571 3.2020 2.6183 6.6618 0.2291 0.2536 0.3944 0.8186 2.2488 1.5709 3.9166 3.3931 0.9796 1.5751 3.5194 3.7427 2.5338 4.1954 3.6349 5.1298 0.1915 0.5001 0.3057 1.2866 1.3251 2.0002 0.8000 0.8882 0.2083 0.1840 0.4693 0.6166 0.8207 0.9163 1.1118 3.6415 1.0457 1.1437 0.6295 0.7604 0.3567 0.2635 0.7549 0.8696 1.0204 0.3079 5.3458 0.2245 beta-alanine 4.4595 3.6979 1.9768 6.4625 0.1211 0.4431 0.3019 0.5669 3.6312 2.4463 5.6775 4.6374 1.4504 2.5578 4.5379 4.2946 1.5060 4.4349 2.6401 4.3927 0.1550 0.6574 0.1787 0.8497 0.7683 1.1646 0.3158 1.2059 0.1791 0.2154 0.3297 0.3617 0.9779 1.4517 1.1454 4.1248 1.0221 1.5694 0.4519 0.6531 0.3271 0.2007 0.8546 0.5979 0.2459 0.2007 2.6757 0.2073 beta-hydroxypyruvate 2.3545 1.4429 0.6464 1.2287 0.7530 0.8344 0.2930 0.2930 0.9530 1.6686 1.9056 1.1797 1.0000 0.5099 1.3091 1.0000 1.4425 1.9945 0.8211 1.0037 0.3800 0.5802 1.2062 1.5546 1.0811 1.5223 0.5495 0.7689 0.7109 0.8386 0.2930 0.2930 0.8206 1.2617 0.2930 0.6788 1.8072 0.8526 1.0862 0.5919 0.2930 0.4854 0.2930 0.4364 2.0678 1.2135 2.6381 0.9802 beta-sitosterol 0.8942 0.9173 0.3748 1.0107 0.6175 1.0565 0.5341 0.8104 0.8507 0.5201 0.7530 0.8622 1.5830 0.9803 1.0835 1.0773 1.3601 1.1109 0.9949 1.3044 1.1204 1.3830 1.3503 1.0544 1.1896 1.0197 0.9632 1.0833 0.4571 0.7587 0.6693 1.0051 0.9290 0.8165 0.7957 0.9694 1.2147 1.2651 1.1884 1.1424 1.2380 1.0649 1.5118 1.3533 0.5829 0.5354 0.7845 0.9467 caffeate 0.2943 0.2943 1.2378 0.2943 1.5020 0.6548 0.2943 0.2943 1.6660 1.2593 0.2943 0.2943 0.2943 1.7303 2.4243 0.6527 0.2943 0.7407 0.6356 0.2943 0.2943 0.2943 0.2943 1.3426 0.2943 0.2943 0.2943 0.2943 0.5620 0.2943 0.7622 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 0.2943 campesterol 0.8246 1.0036 0.4091 0.9703 0.9453 1.2637 0.7369 1.0891 0.9951 0.6246 1.2526 1.1832 1.3523 0.8672 0.9537 1.1160 1.2970 0.9521 1.3719 0.9462 1.1257 1.3510 1.6437 1.1243 0.9964 0.7710 0.9347 0.9842 0.5705 1.0379 0.8559 0.9883 1.1546 0.8329 1.0117 1.3190 1.1575 1.0094 0.9363 1.2027 1.3459 1.0724 1.2519 1.1198 0.9142 0.6411 0.9775 0.7627 citramalate 4.1659 2.8410 1.6029 3.9127 1.2098 0.8086 0.1606 1.0000 0.2292 0.4237 0.5313 0.1858 0.2870 0.3912 1.5599 2.7846 1.9782 4.5164 2.5070 7.4853 0.1828 0.2501 0.5235 0.7378 2.4822 3.2277 1.2707 0.4864 1.0749 0.8910 0.5347 1.0565 1.7074 4.2870 1.2460 4.9253 1.7749 0.8918 0.1606 0.7452 0.5583 0.7666 0.2927 0.3003 4.1584 0.9251 2.1049 0.2766 citrate 55.7877 25.1174 12.3607 43.6535 0.4785 0.4303 0.1641 0.4609 0.3930 0.4201 0.2502 0.2064 0.3042 0.3666 1.4964 13.0766 17.1866 27.7928 12.6407 9.4063 0.1132 0.1692 0.0912 0.1890 9.6443 17.4812 1.2240 1.2619 0.9246 0.7777 0.5397 0.2629 1.6936 4.5619 0.9864 5.7247 10.2972 3.4533 0.3787 1.0136 1.0754 1.1213 1.2864 0.4455 0.3160 0.2001 1.1749 0.0972 cyano-alanine 14.4899 17.6364 3.3022 10.5476 0.4434 1.2816 0.5707 0.5388 28.1577 14.7352 24.4278 20.2103 21.1832 27.3756 30.0657 10.3037 2.6967 7.9336 1.1976 2.2056 0.4977 5.7733 0.2652 0.9137 0.9222 1.0778 0.6529 1.0969 0.6534 0.2548 0.4872 0.2653 0.5598 0.7531 0.6188 1.4141 0.5562 2.2967 1.0607 0.6527 0.4233 0.3618 0.9393 0.4095 0.2942 0.5017 3.9075 0.4452 cycloartenol 0.5866 0.7673 0.4121 0.3427 0.5531 0.4605 0.3103 1.0000 0.2497 0.2213 0.2213 0.2213 1.2004 0.4786 0.9834 1.7447 1.8513 0.8668 2.0227 1.2181 0.6720 0.8894 0.5496 0.7896 1.3743 1.4241 0.5486 1.2282 0.7606 1.0030 0.7193 1.4767 2.0238 1.9859 1.5375 1.3537 1.7001 1.5812 1.1069 1.3873 1.4094 0.8318 1.6139 0.9874 1.4577 1.0000 0.6405 1.3177 dehydroascorbate 3.4537 4.1800 1.3484 2.9958 0.9560 0.6948 0.1592 0.6172 0.5550 0.4672 0.8622 0.6229 0.5105 0.3807 1.2103 3.6121 4.7039 5.4103 2.5856 2.9255 0.3551 0.3423 0.4195 0.6792 2.3962 3.8955 1.0338 1.3470 0.8363 1.0440 0.6774 0.4152 1.5218 2.6827 1.3212 2.1955 3.4891 1.9092 0.3625 1.0949 0.5550 0.5294 0.9662 0.2597 1.8061 0.9390 2.0370 0.3808 diethanolamine 0.7779 1.5076 0.4957 2.0504 0.4268 0.4537 0.2457 1.3769 1.8109 1.1483 2.0590 3.4899 0.9183 1.3318 2.6834 7.3999 2.5881 1.9012 5.1297 2.5177 0.2145 1.1247 0.2581 0.7912 2.7063 1.8466 0.4268 1.3569 0.6602 0.2853 1.1924 1.5888 0.4534 3.3478 0.4627 2.9084 1.1333 1.0817 0.5212 0.3629 0.2286 0.3420 0.6900 0.3399 0.8074 0.2231 0.8076 0.3878 erythritol 2.1016 2.2782 1.0637 3.1645 0.6595 0.6428 0.3455 1.1229 1.7345 1.0177 2.8693 2.2386 1.1001 1.4195 2.9011 2.4866 1.3275 1.6320 2.0549 2.0146 0.2596 0.5125 0.5748 1.1015 1.7859 1.0703 0.9143 0.9363 0.2064 0.4389 0.5135 0.8289 0.5212 0.9199 0.6219 1.5312 1.2830 0.9823 0.4688 0.6119 0.3626 0.3954 0.6273 0.5552 1.3091 0.3195 3.0151 0.3986 erythronate* 3.7469 2.4837 1.4944 3.8005 0.7914 0.9855 0.4002 0.7981 1.0963 0.8657 1.9474 1.6583 0.6989 0.7040 1.4135 2.6478 2.7476 3.0743 2.6327 3.2107 0.5685 0.6500 0.5520 1.6716 2.0151 2.4137 0.9344 0.9341 0.4312 0.6564 0.9107 1.0656 0.8111 2.5150 0.6184 3.9040 2.2258 1.1429 0.6036 0.5659 0.4454 0.5019 0.6175 0.4534 5.8049 1.0145 6.1687 0.6772 ethanolamine 1.5583 1.4848 0.9957 2.9745 0.4306 0.4595 0.3636 1.0043 1.2608 0.9560 2.7766 2.7398 1.4772 1.0440 2.4641 2.6409 1.8909 1.4348 2.7461 1.9719 0.2090 0.5251 0.4738 0.7172 1.1115 1.2121 1.0237 1.2218 0.1908 0.1961 0.3820 0.4803 0.5640 1.0763 0.5677 2.3814 1.6468 1.1947 0.7271 0.7590 0.5358 0.3910 0.7844 0.6554 0.6264 0.3052 2.2312 0.2287 fructose 3.4052 2.4082 1.2770 7.0597 0.2609 0.5123 0.2493 0.4206 1.0279 0.8456 2.5710 1.9252 0.8084 0.9764 2.2115 2.0654 2.5127 2.9309 2.5908 4.1443 0.5472 0.7342 0.5961 4.9959 1.0270 1.4622 0.3961 1.1906 0.1272 0.2149 0.2854 0.2290 0.4090 1.2066 0.3453 3.0246 2.3226 1.4411 0.6188 0.3303 0.2407 0.2118 0.7698 0.2732 4.7163 1.0236 11.0199 0.8094 fructose-6-phosphate 4.1262 2.6280 3.5645 5.1051 0.2808 1.0446 0.2904 1.0000 1.7115 0.9554 1.9113 1.2419 1.1643 0.5113 2.9223 6.8231 5.6228 3.9354 8.4488 3.1767 0.2798 0.6925 0.3483 0.2285 2.2570 4.0407 0.8060 1.5899 0.2842 0.4518 0.2285 0.4998 0.8351 2.0917 0.2754 4.1810 3.5411 2.0604 0.4836 0.7638 0.5351 0.4064 0.3705 0.4574 0.6753 0.5207 1.1640 0.2538 fucosterol 0.9938 1.0337 0.3786 1.0530 0.6112 1.0062 0.6518 0.9402 0.7351 0.5610 0.9784 0.9596 0.9751 0.7334 0.9647 1.1738 1.5164 1.1282 1.2661 1.6023 0.9512 0.8827 0.6914 0.7463 1.1924 1.0928 1.3407 1.0230 0.4805 0.8240 0.7670 0.8245 1.6906 1.3767 1.3982 1.8776 1.6510 1.0523 1.0216 1.8771 1.5910 1.1279 1.5947 1.4608 0.7032 0.7313 0.9649 0.2318 fumarate 1.3388 1.4321 1.1341 2.3980 0.7788 0.7263 0.4419 0.6651 0.9053 0.4670 0.7415 0.8887 1.0716 0.6509 3.2185 4.7255 4.4002 6.3844 3.8843 4.6371 0.3331 0.4438 0.5935 1.1165 3.6782 4.2980 1.0991 1.5229 0.5796 0.6783 0.8737 0.8706 1.4426 2.9906 0.9450 8.4050 3.7481 2.4655 0.6479 1.0550 0.7357 0.7767 0.7874 0.4700 2.7841 0.9284 3.8667 0.5235 gamma-aminobutyrate (GABA) 6.1693 3.6073 2.6626 13.3404 0.4571 0.7438 0.0841 0.7637 1.6286 0.7981 4.9933 9.2108 1.6344 0.8880 3.5224 4.0419 2.0727 1.8006 3.8564 5.7281 0.2768 0.6105 0.4056 2.0148 1.1120 1.5757 0.9203 0.7190 0.1592 0.1846 0.3220 0.1590 0.7700 1.5062 0.6222 4.3886 1.9440 1.3180 0.3806 0.7999 0.4865 0.4174 1.0797 0.5045 1.6743 0.3969 6.8877 0.1015 gamma-tocopherol 1.2316 1.0000 0.5784 0.5784 1.0270 0.5784 0.5784 1.5932 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 2.0480 0.5784 0.5784 0.5784 0.5784 0.7528 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.6263 0.5784 0.8458 1.2120 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 0.5784 1.0000 0.8450 glucose 4.7503 3.4950 1.9589 8.4527 0.3594 0.5175 0.3299 0.5454 1.0301 0.9699 2.6036 1.8015 0.6215 0.9157 2.2183 2.6063 3.0252 4.3866 2.9608 5.9951 0.7890 0.7772 0.5351 4.9088 1.4195 2.1977 0.4012 1.1169 0.2178 0.3639 0.4341 0.2480 0.5015 1.4319 0.3565 3.4488 2.8298 1.2699 0.6966 0.3526 0.3071 0.2408 0.8416 0.2525 3.7863 1.0982 9.9943 0.8831 glucose-6-phosphate (G6P) 8.0304 5.0966 8.9548 15.4707 0.1219 0.3309 0.1358 0.6961 1.4351 1.4778 3.2097 1.0492 0.5649 0.2977 4.2621 18.9551 10.8598 7.1577 17.1810 6.2658 0.0580 0.3569 0.0580 0.4756 3.4504 6.3581 0.5656 3.4579 0.0670 0.0580 0.3512 0.5334 0.5341 4.0283 0.1378 11.5094 6.7642 3.1617 0.7037 1.0000 0.3649 0.2425 0.5129 0.1165 0.3627 0.1645 2.4485 0.0580 glutamate 1.6931 2.1739 2.5230 4.2314 0.1730 0.2867 0.6054 0.8482 1.4295 1.3993 4.4465 2.0888 1.4201 1.6734 4.5958 5.2294 2.0953 2.3497 4.1877 3.6678 0.1160 0.4599 0.2284 1.0022 1.2310 1.9598 0.9184 1.5220 0.1590 0.1653 0.6117 0.9437 0.3715 0.8285 0.6140 3.1094 1.1715 1.3782 0.9978 0.9161 0.3636 0.2763 0.9005 0.9548 0.3854 0.2305 4.7358 0.0979 glutamine 20.7831 17.0425 11.8177 36.1142 0.2140 0.7802 0.7559 0.9253 26.3269 22.0250 84.0749 56.5529 11.9625 22.4619 43.1009 12.6642 1.6279 7.6483 1.7019 7.0267 0.4052 2.2248 0.1934 3.6470 1.0718 1.4364 0.4747 0.5951 0.1151 0.0658 0.2211 0.2019 0.4863 0.6544 1.0747 2.8046 0.3289 0.9282 0.6756 0.3849 0.0907 0.0786 0.5614 0.4101 2.6832 0.3163 8.9171 0.2625 glycerate 3.3683 1.9970 1.2752 2.4710 1.4519 2.1307 1.1940 0.5730 0.9482 1.0485 1.6832 1.5198 0.5583 0.6111 1.6894 1.9371 1.3173 1.9241 2.2188 3.7545 0.7536 0.3778 0.8060 4.1226 0.9515 1.1949 0.4761 0.4807 0.3958 0.5090 0.6118 0.6282 0.5213 1.9225 0.5625 2.1001 1.1012 0.7607 0.3758 0.3844 0.2500 0.3317 0.3226 0.3493 5.6728 1.1280 2.9078 0.4230 glycerol 1.4628 1.3278 0.8463 2.6785 0.4445 0.4904 0.5052 1.0317 1.0087 0.9913 2.4952 5.3713 1.0967 0.7735 2.1123 2.6102 2.0781 1.6274 3.0428 2.5054 0.2279 0.5366 0.6544 0.8866 1.1753 1.2243 1.0842 1.0522 0.2958 0.3235 0.7126 0.9683 0.8437 1.4448 0.7535 2.6116 1.5707 1.1460 0.8395 0.7981 0.6082 0.5418 0.8202 0.8790 1.4321 0.4268 2.2666 0.4686 glycerol 3-phosphate (G3P) 3.0949 1.5346 1.2907 2.6503 0.6210 0.8621 0.3922 0.8288 1.8973 1.4870 2.4953 1.2832 0.8107 0.6178 1.3697 2.5583 2.7161 1.8331 2.8918 1.1218 0.2924 0.6781 0.4428 0.5133 1.9672 2.1665 1.1408 1.4934 0.5221 0.8480 0.7403 0.8055 1.9580 1.9149 0.8704 3.8505 2.5651 1.1379 0.5812 1.0742 0.7785 0.6441 0.9258 0.4620 0.5926 0.7791 0.8463 0.3724 glycine 1.6049 3.0902 2.1030 6.9839 1.1576 1.4351 0.9794 0.4494 2.5918 5.1997 13.2420 11.8559 4.2766 1.7091 3.0023 0.8710 1.8937 0.8896 4.1149 23.6589 0.7286 0.9274 1.0206 1.7971 1.3333 0.8738 0.5769 1.0617 0.5733 0.6282 0.6699 0.9109 0.9832 1.0168 2.0980 0.9674 0.9412 0.8807 0.8255 0.5592 0.3350 0.2895 0.6947 0.7421 15.6833 0.2884 4.4724 0.4972 guanine 3.3864 2.5811 1.2352 6.6464 0.3133 0.5332 0.5596 0.3612 1.2927 0.9910 3.8438 6.0131 1.8155 1.2504 3.8008 4.9161 2.9499 2.4130 5.8669 3.6619 0.2299 0.4971 0.3797 0.9536 1.2325 1.7113 0.3859 1.3209 0.0988 0.1194 0.1008 0.1295 0.5094 1.0090 0.3906 3.0403 2.0835 1.4694 0.5853 0.5078 0.3790 0.3264 1.0464 0.2896 0.7652 0.2827 2.7591 0.1243 inositol 1-phosphate (I1P) 2.9397 2.0504 2.7497 2.2856 1.0963 0.4513 0.7493 0.9461 0.8791 0.7122 1.0030 1.2287 0.8606 1.0000 1.0713 3.8681 4.2360 1.9421 4.7424 2.5759 0.1592 0.7416 0.1592 0.6406 2.2923 2.4417 0.9970 1.7544 0.7032 0.6140 0.5383 0.1592 2.0702 2.5159 0.5551 3.2701 2.9193 2.2399 0.4626 0.4811 0.5372 0.5983 0.7350 0.4070 0.5780 0.9852 1.4046 0.1592 lysine 6.7983 6.0819 3.3280 11.3588 0.2051 0.9635 0.9180 1.0449 4.4010 4.3453 12.4628 13.1424 3.2411 2.8691 6.2823 5.5314 2.6289 2.6019 3.8073 3.9109 0.1605 0.6928 0.1925 1.4067 1.1320 1.6685 0.7625 0.7543 0.1050 0.1791 0.3590 0.5717 0.4365 0.7405 0.4137 2.8589 1.0365 1.1422 0.6595 0.4596 0.3685 0.2535 0.9551 0.6511 0.7161 0.2085 4.4613 0.1762 malate 4.7040 3.7057 2.5752 5.7119 1.0118 0.9882 0.5009 1.0636 0.7308 0.7775 0.9280 0.9289 0.5020 0.4765 1.7657 4.6421 2.7871 3.9184 3.4545 5.0827 0.4193 0.3483 0.8908 1.5307 2.1961 2.9667 0.9838 0.6360 0.7713 0.8631 1.0157 1.0070 1.0274 3.0108 0.9930 4.9527 3.5018 1.2656 0.4464 0.7472 0.3931 0.4910 0.4500 0.4179 3.4749 0.8788 3.8207 0.9608 mannitol 3.7613 2.4139 1.5941 10.8829 0.4311 0.6076 0.4732 0.6977 1.3862 1.0576 3.3465 2.5544 2.0677 0.8265 4.3356 5.6324 3.5619 3.5778 7.9908 4.7248 0.1843 0.8009 0.3525 0.7094 3.1981 2.9083 1.0164 2.6157 0.0733 0.5866 0.4251 0.8981 0.3100 1.1218 0.2299 3.7249 3.4516 1.3862 0.7763 0.6026 0.5976 0.3353 0.9836 0.3309 0.9424 0.4080 5.5114 0.4273 mannose-6-phosphate 5.3989 2.5039 1.8903 3.0428 0.1710 0.1625 0.1009 0.2463 1.3226 0.8970 0.7376 0.3221 0.2907 0.1009 0.9412 2.2331 3.1791 2.4996 2.2627 1.0588 0.1009 0.3514 0.1009 0.1009 1.6884 2.0493 0.1009 0.6019 0.1009 0.1009 0.1009 0.1009 0.4053 1.6292 0.1009 1.9697 2.0378 1.1030 0.1009 0.1009 0.2350 0.2387 0.1009 0.1009 0.1009 0.1812 0.8377 0.1009 methylphosphate 4.0463 2.4862 2.4200 6.5684 0.2232 0.5462 0.5845 0.8761 1.3625 1.0035 2.2056 3.3776 0.9965 1.0559 2.2417 4.8787 3.5340 2.2163 3.4353 3.5097 0.1872 0.5399 0.3799 0.9925 2.3338 2.3221 0.4367 1.7455 0.1321 0.1922 0.6068 0.8014 0.7723 1.3891 0.4164 3.7310 2.6360 1.3296 0.6170 0.8528 0.3647 0.3580 1.0075 0.2353 0.9078 0.2284 4.1022 0.0850 myo-inositol 4.2185 2.7506 1.1156 2.7699 0.7220 0.7187 0.2328 0.9453 0.7363 0.7785 1.0649 0.8261 0.4554 0.7562 1.3599 3.0060 3.6663 4.8336 2.7169 2.9493 0.5880 0.6964 0.4857 2.6440 2.0985 2.6750 0.8597 1.4342 0.8289 0.7407 0.6032 0.4243 1.4858 1.8967 0.9995 3.1748 2.7080 1.1711 0.8536 0.6811 0.5920 0.5112 0.7111 0.2645 5.7568 2.2026 14.0328 1.0005 N-acetylglucosamine 4.9154 2.9423 1.1476 4.4686 0.1748 0.5429 0.2102 0.3972 1.0963 0.9547 2.5859 1.2585 0.7269 0.5560 1.2179 3.3749 2.5038 2.8536 1.9501 1.7519 0.2046 0.1219 0.1219 0.8524 1.8086 2.0375 0.1219 0.3885 0.1219 0.2215 0.3275 0.1219 0.2835 0.1219 0.5307 1.7825 1.0574 1.0000 0.3670 0.2553 0.1219 0.1219 0.2184 0.1219 1.3564 0.1988 2.8125 0.1219 nicotianamine 10.1979 6.6397 3.2447 11.7900 0.1725 0.3419 0.0759 0.3389 1.1271 1.0000 1.0893 0.9107 0.5110 0.8113 2.7643 10.1728 6.9023 10.8067 7.9578 3.8928 0.0676 0.7650 0.0396 0.6882 4.9045 7.8274 0.2832 2.1606 0.0396 0.0396 0.0829 0.0396 1.0988 3.0138 0.4270 4.1425 4.3503 3.4120 1.2009 0.5068 0.3043 0.0859 0.5247 0.0773 0.6861 0.6574 7.4820 0.0837 nicotinamide 0.9789 0.6934 0.2457 0.9840 0.2457 0.2457 0.5275 0.7605 1.1684 1.0340 1.5577 2.0382 1.2177 1.3801 1.4976 1.6230 1.1482 1.0211 1.1432 1.0000 0.2457 0.3158 0.5473 0.6222 0.8881 0.8131 0.7252 0.8482 0.2457 0.2457 0.8008 1.3511 0.2746 0.4538 0.6458 1.3079 1.0464 1.3941 1.0090 1.0419 0.2486 0.3482 0.6608 1.5306 1.4790 0.2457 1.0279 0.2457 nicotinate 1.1745 1.1890 0.8586 1.6036 0.5583 0.6390 0.7600 0.6761 1.3552 1.1682 1.7414 2.0890 1.5452 1.0521 1.8091 1.9715 1.5103 1.4743 1.7074 1.8346 0.4171 0.8370 0.5808 1.1853 1.0763 1.1955 0.5998 1.5177 0.3675 0.3512 0.5224 0.5301 0.9479 0.8659 0.8324 2.0451 1.3449 1.4655 1.1332 0.8668 0.4917 0.5241 0.7761 0.7096 0.7098 0.5500 2.4254 0.4293 ornithine 3.0307 2.5071 3.1717 9.3016 0.2348 0.3383 0.3089 0.5270 1.9097 1.8368 7.1123 5.0355 1.1543 1.4715 3.7837 5.0160 2.0629 3.6065 6.9850 6.3161 0.2620 0.5909 0.5344 2.0469 1.3617 1.7964 0.5813 1.0054 0.1622 0.2030 0.3063 0.5111 0.3594 0.7594 0.5421 3.2900 1.7439 0.8457 0.6418 0.5537 0.2881 0.2633 0.9946 0.5106 1.3318 0.5048 6.6332 0.6605 orotidine 2.5727 2.0959 1.1484 6.5408 0.3160 0.2127 0.5602 0.6534 1.2456 1.5208 2.4603 3.7499 1.9481 1.0673 3.0385 3.1701 2.2479 1.4296 2.3653 2.8216 0.2079 0.4496 0.4159 1.1177 0.9335 0.8350 0.9774 0.6856 0.2408 0.3534 0.7121 0.7901 0.6951 1.2816 0.4595 1.0226 1.5189 1.4209 0.4865 0.6689 0.1603 0.3025 0.4244 0.1603 1.0665 0.2559 3.4156 0.1603 phenethylamine 2.7765 3.6463 1.0922 3.4238 0.7787 1.2467 0.6474 0.8949 2.2931 2.6312 6.6481 4.7717 3.2717 3.6092 3.1754 2.4334 1.5573 2.1094 1.9619 1.3143 1.0390 1.6096 0.9078 1.8576 0.5186 0.6298 0.2411 0.8790 0.2697 0.4243 0.3565 0.2389 0.4508 0.4649 0.5118 0.7324 0.9610 2.1712 1.5889 0.5736 0.6008 0.5363 1.2716 0.8606 0.5632 0.8025 2.9405 0.3869 phosphate 11.2057 5.0518 3.9172 8.1516 0.2055 0.5177 0.2489 0.3667 3.3066 2.1901 3.0044 1.7420 0.9541 1.0459 1.9933 6.4360 9.2781 4.9644 7.9246 1.8412 0.1592 0.4425 0.1278 0.2963 4.2863 6.8131 1.5373 1.5918 0.2066 0.2406 0.4627 0.4521 0.9422 3.1840 0.2643 6.5190 5.3089 1.5632 0.1691 0.2840 0.2179 0.2197 0.2844 0.1195 0.3205 0.2337 2.2725 0.0964 phytol 1.0059 1.2163 0.9242 1.5332 0.9850 1.5857 0.8880 1.6388 0.4245 0.3035 0.7436 0.8067 1.2149 0.7417 1.2000 2.2818 1.4618 1.7231 1.2199 1.7572 1.1845 1.6352 1.3011 1.5437 0.8945 1.8157 0.8117 0.7390 0.8485 0.7873 1.0068 0.9932 1.0786 0.7130 0.6158 1.0097 1.4884 0.9941 0.8456 0.7045 0.8358 0.7870 1.1361 0.6715 1.1107 0.6300 1.4564 0.7283 phytonadione (Vitamin K1) 0.9474 0.7988 0.4838 0.8135 0.4952 1.1876 0.4838 0.9071 0.4838 0.4838 1.2382 0.4838 1.3573 0.4838 0.4838 1.0898 1.6598 1.2116 0.9687 1.8148 0.8657 1.0526 0.8331 0.4838 1.0616 0.7919 0.4838 0.4838 0.4911 1.5351 1.1335 1.1378 1.6818 0.5056 0.9413 1.0326 1.6904 0.9243 1.0000 0.6998 0.8593 1.2185 1.1947 0.8854 2.2959 0.6714 2.2311 0.6134 pipecolate 3.9382 4.9308 1.6338 5.5287 0.0519 0.5155 0.2737 0.1600 2.6543 2.3484 3.9236 3.0287 2.6516 3.9872 3.3019 3.2056 2.8177 1.8285 2.6786 1.7022 0.1153 0.5469 0.0519 0.5114 0.9936 1.1541 0.0519 0.8463 0.0519 0.0519 0.0519 0.0519 0.4442 0.6608 0.2576 1.1537 1.4395 1.0000 0.6663 0.2816 0.4821 0.2130 0.4999 0.3424 0.7256 0.2763 4.5505 0.0519 putrescine 2.9227 2.1298 1.6021 5.9243 0.4164 0.6062 0.3750 0.2559 1.7399 1.5190 4.7635 3.3275 1.5378 1.2955 2.8074 2.6894 1.7735 2.4146 2.4068 2.7557 0.2739 0.7785 0.3749 1.2580 0.7865 1.0545 0.1769 1.1665 0.2005 0.2048 0.3740 0.6647 0.4165 1.4933 0.4361 2.2661 1.5790 1.3615 0.7403 0.4173 0.4773 0.3756 0.8335 0.4628 0.9455 0.3651 2.8314 0.2301 pyruvate 1.4316 1.1146 0.8925 2.2828 0.6083 0.6147 0.4553 0.7527 1.1368 0.8854 2.3548 2.1963 1.3293 0.8308 2.2890 2.6116 3.1937 2.4306 4.5212 4.1010 0.3318 0.5913 0.5246 1.3330 1.9213 2.0835 1.2822 1.0242 0.3472 0.5402 0.4768 0.9758 0.6039 1.4474 0.4742 2.9401 2.3666 1.7237 0.6645 0.7804 0.7617 0.6638 0.7948 0.8171 2.1401 0.5059 1.6976 0.5917 quinate 6.6163 3.4283 2.4367 8.3118 0.5238 0.6522 0.2736 0.3774 0.9215 1.0785 1.5416 1.1969 0.6179 1.3894 2.9915 4.9361 2.6779 4.5821 3.3774 3.7491 0.3908 0.3452 0.3940 2.4443 1.6956 2.8283 0.3688 1.1041 0.2873 0.4569 0.4698 0.3403 0.9077 2.4498 0.8406 4.1496 2.2155 1.4452 0.8959 0.6591 0.2590 0.2387 0.7989 0.4963 3.8522 0.8830 15.6123 0.4607 ribitol 0.9983 1.8128 0.5583 1.5635 1.0200 0.7269 0.3517 1.4566 1.0017 1.0471 1.8586 1.3788 0.5514 1.3967 1.2834 0.6801 0.9170 1.4901 1.0126 2.3332 0.3439 0.4444 0.5992 1.0000 1.2372 1.2230 1.3083 0.2939 0.5248 1.0765 0.8893 1.0394 0.5341 1.1795 0.4804 1.7620 1.3474 0.6913 0.3158 0.2598 0.3799 0.5302 0.2598 0.4545 3.1461 0.7824 1.9002 0.7980 ribose 4.8733 4.0069 2.5102 7.8366 0.4203 0.5368 0.3982 0.6458 1.1366 0.9721 3.1810 3.3687 1.1408 0.9161 3.2151 5.5411 3.9167 3.7200 6.2275 4.8070 0.1876 0.4435 0.3413 0.8420 1.8316 2.5171 0.9374 1.3304 0.2091 0.2651 0.3832 0.3878 0.8657 1.2685 0.8041 3.4684 2.6357 1.7268 0.7441 0.7858 0.3928 0.3180 1.0626 0.3369 1.0279 0.3975 4.3726 0.1833 ribulose 0.9262 0.2735 0.2735 1.4772 0.7419 0.2735 0.2735 0.2735 0.2735 0.2735 0.2735 0.5140 1.0000 0.2735 0.6048 1.0000 1.3580 0.3428 2.0042 0.9680 0.2735 0.2920 0.2735 1.2951 1.7126 1.5376 1.0440 0.9217 0.2735 1.1591 0.4188 1.5707 1.2575 1.8499 0.5373 1.1956 0.2735 0.2735 0.7982 1.1251 0.5299 0.5418 0.2735 0.2735 4.3083 0.2735 1.6099 0.7132 serine 4.9802 4.5003 2.6784 10.3806 0.2619 0.8668 0.6650 0.8441 3.7312 3.6776 8.2234 7.1272 2.0765 2.1226 4.1172 2.5381 1.4136 2.8155 1.8584 4.9276 0.6050 1.5953 0.4054 2.0210 1.0529 1.1827 0.8944 0.7361 0.1788 0.1813 0.4563 0.4592 0.4553 0.6738 0.6916 1.8081 0.5881 0.9667 0.8004 0.6968 0.4391 0.2856 0.8691 1.1056 1.0333 0.4841 7.5783 0.1896 shikimate 3.7475 2.6861 1.4143 4.8280 0.5723 0.5575 0.2572 0.6278 0.9453 0.7077 1.1699 1.1988 0.9734 1.3062 2.2737 3.1877 3.1771 3.7589 3.1005 3.7992 0.3587 0.7360 0.5796 1.2744 1.9933 2.8097 0.8301 1.3471 0.3585 0.5576 0.6895 0.6318 1.0266 1.8761 0.5884 3.6393 3.0807 2.2393 0.7029 0.6568 0.5174 0.3824 0.7999 0.4886 2.3861 0.8016 6.6573 0.6887 sorbitol 2.1876 1.9847 1.8640 4.4838 0.2740 0.4689 0.3338 0.5963 0.8522 0.4521 2.8143 2.6578 1.3033 1.0081 5.6281 5.6632 2.5315 4.7301 14.1871 8.4103 0.2505 0.5042 0.6850 0.9287 0.9919 1.7823 1.0713 1.6829 0.1425 0.1425 0.5252 0.1425 0.4205 1.1014 0.1618 4.3814 1.8615 1.5279 0.9249 0.9082 0.3379 0.3112 0.9069 0.3398 1.6000 0.5378 4.5298 0.3419 stigmasterol 0.9375 0.8465 0.3336 0.8871 1.0035 1.4217 0.6929 1.1483 0.8282 0.5356 1.0337 0.9398 1.1837 0.7495 0.8060 1.1026 1.4777 0.9413 1.2773 0.9349 1.2255 1.4709 1.6410 0.8864 1.0231 1.0389 1.0426 1.1648 0.4916 0.9965 0.8318 1.2696 0.9829 1.0495 0.7709 1.0845 1.5887 0.9842 0.9821 1.1491 1.3696 1.2258 1.3984 1.0179 0.9892 0.8132 0.9623 0.9779 succinate 4.1475 3.4951 2.1296 6.7570 0.2773 0.5670 0.3015 0.3815 1.2887 1.0632 2.3688 2.3511 1.7386 2.0222 4.7089 6.3222 4.4883 4.7683 4.6121 4.5548 0.3636 0.3592 0.3066 0.7667 1.8234 2.7456 0.5440 1.2333 0.3453 0.5431 0.4018 0.3751 0.7360 0.9368 0.6100 2.6178 2.0429 1.9049 0.5481 0.7188 0.5403 0.4185 1.6426 0.7040 0.6636 0.3658 2.6734 0.1665 threitol 1.1048 1.8998 0.5742 1.9176 0.5120 0.7545 0.3100 1.7305 1.0757 1.0246 1.1027 1.6097 1.0057 0.8222 2.1238 1.8194 1.0938 1.0593 2.2611 1.4777 0.2253 0.3922 0.2253 1.0345 1.0000 1.5657 0.9650 0.6142 0.2847 0.5688 0.8124 1.0000 0.6564 1.0597 0.6079 1.3677 1.7621 0.6309 0.4044 0.6237 0.4716 0.3787 0.3671 0.3289 1.8227 0.2253 2.1492 0.5038 threonate 6.1861 3.6990 2.1585 4.7682 0.1875 0.4303 0.2573 0.2870 1.2928 1.1538 1.8336 1.5232 0.7609 0.8419 2.0741 4.4267 4.3153 7.0764 3.9317 5.4587 0.2549 0.5649 0.1802 1.7777 2.3003 3.9996 0.4153 1.2204 0.2571 0.2894 0.2882 0.1585 0.8462 2.8659 0.6849 5.4586 3.8303 1.9018 0.6622 0.6244 0.4132 0.4750 0.7796 0.4294 2.5433 0.6638 8.7706 0.0822 trizma acetate 1.1463 1.4928 1.9231 4.8250 0.1895 0.4158 0.2025 0.3513 1.1033 2.3420 1.2354 1.4621 1.1789 0.6360 2.3491 4.5773 1.8818 2.1151 8.5346 7.6630 0.2039 0.9906 0.2494 0.7084 1.7749 1.4713 0.5128 0.7646 0.1392 0.6511 0.5588 0.6375 0.2715 0.7984 0.3120 1.5738 5.0027 1.0094 195.8557 0.1935 0.3769 0.2828 1.4538 0.2330 1.0631 0.3169 2.2521 0.3199 xylonate 3.5711 2.4362 1.1970 6.3169 0.2861 0.3576 0.3420 0.2671 1.0813 1.2477 2.8592 2.2008 0.9187 0.8879 1.3446 5.0345 3.1430 3.2985 6.0897 4.4816 0.2411 0.7233 0.4369 1.4963 1.3312 2.3770 0.4346 1.3701 0.1043 0.2159 0.2499 0.4640 0.3665 1.1997 0.6276 3.6992 2.2187 1.5651 0.8030 0.2023 0.4240 0.1339 0.5156 0.2315 1.7104 0.4712 6.1207 0.1332 xylose 3.4821 2.2712 1.4173 4.5187 0.4081 0.5885 0.3570 0.5407 1.1347 0.9513 1.6479 1.4732 0.7442 0.8069 1.6272 2.5821 2.3128 2.9797 2.5761 4.1419 0.4401 0.6462 0.4454 1.8673 1.6731 2.0375 0.9500 1.0500 0.3397 0.4181 0.5288 0.4281 0.7523 1.9882 0.7328 3.6826 2.6785 1.5719 0.7254 0.7745 0.4433 0.4302 0.7281 0.3983 3.6917 1.0487 5.7786 0.3769 metabolite_name retention index quantified m/z PubChem ID KEGG ID 1,3-dihydroxyacetone 1349 306.1 670 C00184 1,6-anhydroglucose 1679.5 204.1 11412545 1-myristoylglycerol (1-monomyristin) 2052 343.2 79050 1-palmitoylglycerol (1-monopalmitin) 2119.5 371.3 14900 1-stearoylglycerol (1-monostearin) 2186.6 399.4 24699 D01947 2-aminoadipate 1686.5 260.1 469 C00956 2-aminobutyrate 1215.7 130 C02261 2-hydroxyglutarate 1576 247 43 C02630 2-linoleoylglycerol (2-monolinolein) 2169 408.3 5365676 2-palmitoylglycerol (2-monopalmitin) 2108 129 123409 2-stearoylglycerol (2-monostearin) 2178 341.3 79075 3-deoxyoctulosonate 1942 373.2 4636210 5-aminovalerate 1620.8 174 C00431 alanine 1147.6 115.9 5950 C00041 allantoin 1809.8 518.3 204 C02350 alpha-ketoglutarate 1779 419.1 51 C00026 alpha-tocopherol 2305.4 502.5 14985 C02477 arabinose 1631.6 217 66308 C00216 arabitol 1687.5 307.1 94154 C00474 arginine 1608.5 142 232 C00062 ascorbate (Vitamin C) 1850.1 332.1 C00072 asparagine 1617.5 188 6267 C00152 aspartate 1529.7 232 5960 C00049 beta-alanine 1451.8 174 239 C00099 beta-hydroxypyruvate 1425.1 221 964 C00168 beta-sitosterol 2380.8 357.4 222284 C01753 caffeate 1949.9 396.2 689043 C01197 campesterol 2353 343.4 173183 C01789 citramalate 1490.7 247 1081 C00815 citrate 1763.4 273.1 311 C00158 cyano-alanine 1402 140.9 13538 C02512 cycloartenol 2407 365.4 92110 C01902 dehydroascorbate 1800 245.1 835 C05422 diethanolamine 1457.1 218 C06772 erythritol 1517.5 217 C00503 erythronate* 1546.9 292.1 2781043 ethanolamine 1304 174.1 C00189 fructose 1758 217 5984 C00095 fructose-6-phosphate 1994.9 315.1 C05345 fucosterol 2380.1 386.4 5281328 C08817 fumarate 1382.1 245 C00122 gamma-aminobutyrate (GABA) 1539.7 304.1 C00334 gamma-tocopherol 2264 223.1 14986 C02483 glucose 1866.8 217.1 79025 C00031 glucose-6-phosphate (G6P) 2042.7 387.2 C00668 glutamate 1611.9 246 611 C00025 glutamine 1698.4 227.1 5961 C00064 glycerate 1360.7 189 752 C00258 glycerol 1311 205 753 C00116 glycerol 3-phosphate (G3P) 1719.7 357.1 754 C00093 glycine 1166 101.9 C00037 guanine 1942.3 352.1 764 C00242 inositol 1-phosphate (I1P) 2057.8 318.1 C04006 lysine 1836.7 317.2 5962 C00047 malate 1502 233 525 C00149 mannitol 1839 319.1 6251 C00392 mannose-6-phosphate 2035.9 387.2 C00275 methylphosphate 1221 241 13130 myo-inositol 1924.9 217 N-acetylglucosamine 1903.3 245 24139 nicotianamine 2121.4 186 9882882 nicotinamide 1493.7 151 936 nicotinate 1334.1 180 938 ornithine 1763.8 142 6262 orotidine 1550.7 245 92751 phenethylamine 1575 174 phosphate 1307.7 298.9 1061 phytol 1964.7 143.1 5280435 phytonadione (Vitamin K1) 2425 596.5 5284607 pipecolate 1396.1 156 849 putrescine 1705.8 174 pyruvate 1130.6 217 107735 quinate 1793 345.1 ribitol 1692.4 217 ribose 1639.2 204 5311110 ribulose 1662 306.1 79021 serine 1389.1 204 shikimate 1758.1 204 8742 sorbitol 1843 319.1 107428 stigmasterol 2359 255.3 5280794 succinate 1348 247 1110 threitol 1513 217.1 169019 threonate 1560.7 292.1 151152 trizma acetate 1525 306.2 xylonate 1722 292 6602431 xylose 1723.9 204 95259