Metabolite_name RefMet_name 4-01-8407 4'-01-8409 4''-01-8411 4-02-8408 4'-02-8410 4''-02-8412 1-01-8388 1'-01-8390 1''-01-8392 1-02-8389 1'-02-8391 1''-02-8393 3-01-8401 3'-01-8403 3''-01-8405 3-02-8402 3'-02-8404 3''-02-8406 2-01-8394 2'-01-8396 2''-01-8398 2-02-8395 2'-02-8397 2''-02-8399 Factors - Group:Combined Group:Combined Group:Combined Group:Combined Group:Combined Group:Combined Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Dox Group:Dox Group:Dox Group:Dox Group:Dox Group:Dox Group:MGB4 Group:MGB4 Group:MGB4 Group:MGB4 Group:MGB4 Group:MGB4 17-Hydroxyprogesterone 17alpha-Hydroxyprogesterone 10358 11650 9188 9410 8702 10370 11928 11986 13306 15680 13046 13450 9376 9164 12882 10308 9242 11512 11948 11160 14604 10086 12160 11676 2^-Deoxyguanosine 5^-monophosphate dGMP 4214 5102 4518 4094 4442 5262 5062 7512 6192 8472 7978 6048 7580 9736 11200 7206 8392 11612 8412 10728 8862 9746 11382 8794 2-Ethyl-2-hydroxybutyric acid 2-Ethyl-2-hydroxybutyric acid 11404 11306 12248 11200 11178 11064 14434 15192 15242 14866 19052 15304 13884 12916 14376 12810 14150 15472 11818 12954 13872 12726 12014 13204 2-Hydroxyadenine 2-Hydroxyadenine 6428 6320 5658 5718 6034 5936 11898 11258 14252 8132 10888 10218 7432 6782 8342 9066 8830 9814 5672 7774 7040 6652 8412 7654 2-Phenylaminoadenosine 2-Phenylaminoadenosine 27992 12046 25428 31016 11792 26374 55544 34492 33770 59318 30258 36528 24540 22334 20712 25836 22410 24588 13972 24130 19290 17026 24008 21856 2-Phenylbutyric acid 2-Phenylbutyric acid 17988 7844 17266 16434 8928 15830 22384 19840 14394 23344 19804 18706 10012 8430 8822 11626 10408 9328 8376 9086 8520 7580 8864 8954 2-Pyrrolidinone 2-Pyrrolidinone 3512 3870 4290 3424 4986 3710 5952 4946 5198 5512 5670 5420 4796 4644 5330 5136 4526 5010 4820 4874 4542 4704 4600 5270 3_4-Dihydroxyphenylglycol 3,4-Dihydroxyphenylglycol 16402 22170 1822 8832 35886 2372 11272 13254 40116 43596 8650 19270 2386 24040 17238 2418 2584 13156 28362 16458 18792 50800 11748 17108 3_5-Diiodo-L-tyrosine 3,5-Diiodo-L-tyrosine 1264 2898 894 2330 404 748 838 506 872 668 3288 3470 1960 3154 5216 2654 3086 3312 994 3182 2864 3074 3a_6b_7b-Trihydroxy-5b-cholanoic acid beta-Muricholic acid 33526 49008 57430 35184 49020 53394 55086 58970 52728 63716 55638 54452 50010 50878 56076 54850 45494 54788 51792 57376 58326 54010 53354 58534 3-Nitrotyrosine Nitrotyrosine 558 414 1900 2370 2030 1920 2282 2038 598 1056 882 886 730 908 1774 1436 1244 1042 1072 3-Phenylbutyric acid 3-Phenylbutyric acid 25052 12276 18998 20548 12836 21726 30310 24706 27504 28224 24850 24340 14172 11108 14480 15260 11160 13518 10408 13178 11306 9884 10636 12046 5-Methoxytryptophol 5-Methoxytryptophol 11882 12906 6568 13288 13784 7414 17964 11594 6020 14462 10868 5804 18280 13978 16062 18396 13250 14102 14286 10190 6800 14776 9334 7642 5^-Methylthioadenosine 5'-Methylthioadenosine 29336 28328 25316 34666 27352 24848 102354 91230 126516 110272 106318 133938 39736 50446 48428 38572 43002 49724 96578 116230 114690 101508 93584 114310 7_8-Dihydrobiopterin 7,8-Dihydrobiopterin 614 646 604 570 520 642 872 1094 1164 858 1056 1172 674 624 804 942 680 920 682 994 756 644 722 906 Acetoin Acetoin 14368 14534 13830 12792 14904 13660 27172 29876 32448 33254 29742 28682 19222 18744 20360 17990 19690 20904 18850 17458 21888 19236 22162 22280 Acetone Acetone 2018 1976 1402 1576 1788 1746 1018 1668 1030 1410 2030 2358 1714 1734 1686 1748 1408 2012 2012 2134 1454 1784 1948 1506 Adenine Adenine 9842 8456 7402 7848 8338 7994 35506 33228 51938 35450 37616 48500 12202 15240 14250 12460 13106 13204 30554 37756 37546 34208 34504 39494 Adenosine Adenosine 25498 42286 26790 23710 45310 28956 60024 43234 88640 59756 43877 99960 54420 52040 42218 53722 52832 42774 34352 33386 32551 33676 33985 32032 Adenosine 3^_5^-diphosphate Adenosine 3',5'-diphosphate 20952 26144 23474 20786 21336 24298 11778 13568 29238 11638 12522 26238 44398 50444 24998 43680 51722 25654 30992 19998 11230 29450 18812 14728 Adenosine monophosphate AMP 2320 3086 2156 1960 2988 2266 5776 6724 7456 6488 6952 6918 3480 3138 4754 3200 3134 4814 2748 3248 4334 2024 3900 4522 Adenosine triphosphate ATP 1776 1520 1522 1468 1522 1468 3912 4372 2108 2952 4284 2598 2336 1984 2398 2146 2614 1846 2282 2798 2908 3462 2570 3260 ADP ADP 1508 1600 1560 1160 1374 1280 4240 4884 5488 5138 5588 5108 2868 3080 4604 2392 3488 3794 3008 3310 3242 3074 2918 4162 Alpha-N-phenylacetyl-L-glutamine alpha-N-Phenylacetylglutamine 804 1088 778 922 940 922 2730 3424 4580 2700 3104 3226 748 1662 1592 1386 1630 1464 1096 1452 1308 1134 1156 1070 Aminopterin 4-Aminofolic acid 578 620 510 618 694 621 2588 3054 3278 2356 2646 3516 1210 1382 1486 1338 1212 1490 1184 1358 1288 1336 1430 1262 Androstenedione Androstenedione 3902 3986 2782 3272 3852 2132 7248 8964 8646 9914 7864 7982 7306 8398 9268 7074 10892 10314 7862 7902 7522 9440 9668 8794 Benzene Benzene 1566 1638 1412 1520 1617 978 184 994 3892 4920 2376 3694 142 278 230 Benzocaine Benzocaine 1096 1186 1264 1322 1018 1176 2188 1474 1244 1762 1636 1716 1422 1854 1604 1454 1714 1962 1164 1606 1388 1286 1386 1442 Beta-Alanine beta-Alanine 2378 3158 1418 1852 2088 1954 5364 6572 7626 7892 7764 7686 3354 4926 4758 3276 3860 3952 5646 6480 6950 4458 5970 7428 Carnosine Carnosine 8384 13764 10062 10750 15412 10758 16846 21658 20574 18772 19082 17080 15008 17928 18434 16124 17866 19682 15558 25808 21404 20934 18106 22968 Chalcone Chalcone 870 218 648 887 924 615 1422 1522 1442 1082 1238 2038 836 1224 1348 905 1144 1576 1294 1500 1318 1012 1080 1482 Cytosine Cytosine 984 1056 698 702 1044 344 790 1236 1592 1182 1242 1254 1038 1144 1106 1302 1010 608 1782 1202 1420 1808 814 1452 D-Glucurono-6_3-lactone Glucuronolactone 715 774 822 688 874 804 1538 2060 2178 1298 1390 2354 830 1198 1221 1062 828 1136 864 776 1126 624 590 702 Diacetyl Diacetyl 2250 3194 2912 2398 3390 2730 6722 8000 6256 8696 7912 9054 4258 4380 5720 4196 4316 5160 4900 6506 5540 5294 5698 4710 Diethanolamine Diethanolamine 715 1028 13412 20528 1426 9902 25901 12838 11316 24688 11938 12284 14724 15416 14138 15648 11398 14920 4900 10794 10356 10856 9898 11966 Ethanolamine Ethanolamine 47150 31360 40264 47600 30530 43908 55800 38150 41020 53728 42334 45112 52000 61612 62332 65548 50372 58052 50810 51378 41972 51822 39622 48218 Ethyl malonate Ethylmalonic acid 1490 2228 2094 1562 2016 2402 4348 3020 3650 4132 2874 3310 3362 4120 3724 4144 4006 4244 2654 2952 2332 2816 2866 3178 Galactitol Galactitol 36420 31742 34974 33852 35346 33682 30290 30604 26668 28646 29654 24398 32124 26968 29876 30224 26858 28728 29304 27292 28956 31488 28004 26850 Gamma-Glutamylcysteine gamma-Glutamylcysteine 2434 2782 2064 2590 4284 2194 7060 9238 10596 9416 8282 10158 6816 6756 6204 5748 5772 6616 5432 5856 5902 6088 6248 7002 Gluconolactone Gluconolactone 2210 32278 5776 4242 29092 4310 23340 19118 17462 29998 17236 26762 21124 13942 20526 22356 29462 18394 27662 23794 26784 31032 21668 25844 Glutathione Glutathione 8288 123788 22218 9631 117502 18530 108946 121035 83658 124384 122545 108770 79752 102420 90325 85142 102934 88738 107750 119274 119008 121732 105736 123506 Glycerol Glycerol 1248 1356 298 1001 1322 508 2046 1904 1438 1148 1606 1702 3782 4424 2964 3368 4160 3372 4150 4202 3310 5114 3766 4144 Glycerophosphocholine sn-Glycero-3-phosphocholine 7468 7040 5762 6790 8212 5494 4118 3718 3480 3228 3480 2726 4978 3944 5088 5082 5032 5386 5370 6240 6348 6120 6448 6698 Glycine Glycine 1238 272 694 874 334 772 1510 1238 962 1492 776 1038 762 840 908 646 734 1002 1218 770 1110 906 708 1284 Glycocholic acid Glycocholic acid 4032 588 5000 4418 5418 5818 3642 6476 3706 3658 8712 3382 3404 2230 4008 3458 3156 3236 1742 3786 2946 1782 3606 Glycylproline Gly-Pro 5034 5212 3862 7582 5926 3610 4298 4260 2982 5310 5230 2066 6882 5868 4644 6126 5302 6268 4838 5116 4004 5128 6634 4454 Guanine Guanine 1126 1622 1700 1418 1194 1724 3420 4798 4398 4260 3858 3888 2862 3688 2996 2750 3512 3676 3062 3610 3380 3088 3460 4418 Guanosine Guanosine 52490 69770 61420 55458 68542 53908 109080 160148 179622 157918 85962 168968 97866 120464 109108 99060 114774 108240 103878 121468 105914 108220 103180 116246 Guanosine 5^-diphosphate GDP 2360 3614 3332 1498 1912 3468 3468 6228 8704 2696 2504 4842 3490 2832 3154 2262 4212 3298 1976 3960 4254 2186 4100 5002 Hydroxyisocaproic acid Hydroxyisocaproic acid 15486 8136 13792 17724 8592 17144 22708 19382 17440 21208 17098 18432 10980 8516 9170 9708 8702 11814 7140 8356 8868 7606 8488 7800 Hyodeoxycholic acid Hyodeoxycholic acid 38730 38296 50900 30932 36194 57454 16426 19554 28130 17482 23504 14962 36408 38070 19982 35792 39072 30406 12412 17660 24188 24056 10158 26922 Hypoxanthine Hypoxanthine 133362 147920 117814 127590 160690 123060 321945 347260 351494 337706 294316 346518 206108 227168 245060 217432 234066 210050 251056 267154 246970 245482 196880 247900 Indole Indole 2552 5994 2558 3156 3476 3184 14198 13514 12478 13760 14564 11560 5418 6500 6784 5866 6144 7538 8700 8010 6720 6692 7328 8160 Indole-3-carbinol Indole-3-carbinol 2616 1918 2680 3566 1768 2358 7720 5258 6368 6430 5328 4754 4462 3908 5120 4072 3194 4206 2882 3314 4426 3992 3808 3486 Indoleacrylic acid Indoleacrylic acid 23340 19080 20044 22904 24306 20616 79078 77958 62520 77932 76692 64726 36238 44444 51072 38516 41260 47216 45822 51594 49276 45376 52558 47410 Inosine Inosine 47562 58318 46642 41858 60662 42154 150760 156768 168028 153754 155760 173506 86902 102992 101290 90588 104418 100960 104778 120146 102982 102718 118150 116848 Isovalerylcarnitine CAR 4:0;3Me 17300 21920 16788 16478 26836 15390 27192 26368 26462 27706 21328 30880 38416 44568 40886 37226 43038 44062 22176 25440 21416 20960 25612 25614 L-Acetylcarnitine CAR 2:0 8316 7556 6060 5940 7716 5976 19060 18216 18722 19656 19810 17604 13008 17750 19728 13400 15870 25310 12064 12636 13180 10614 16624 13832 L-Dopa DOPA 2986 4014 3516 3406 4018 2966 1388 2314 2522 1980 2116 2040 1816 2060 1932 2304 1516 1806 1954 3184 2460 2596 4054 2224 Leucinic acid Leucinic acid 14778 15540 12852 13958 13518 14636 16646 21998 22172 17000 20478 19160 13472 13458 16366 14692 13002 16398 13674 14036 15974 11894 13840 14326 L-Fucose Fucose 2698 2064 1762 2462 2438 2524 2084 2046 1868 2360 1908 1800 1798 1882 2032 2290 2246 2142 1958 1914 2832 2632 1746 1908 L-Homoserine Homoserine 1180 372 698 1174 1485 1548 1452 956 1140 990 792 1136 1012 892 840 930 904 670 1094 736 1000 1278 754 1082 L-Norleucine Norleucine 5024 4568 2326 5338 5608 3014 10226 12142 12264 10906 12206 13264 10454 12548 10878 10376 10648 12338 10470 11206 10494 11968 11520 11494 L-Phenylalanine Phenylalanine 3106 4952 3586 3268 3828 3550 13416 16082 19544 15656 13224 21460 7720 10026 8400 7544 8698 8068 7692 7836 7084 7946 7566 8226 L-Tryptophan Tryptophan 4264 5264 3918 4522 5152 4166 14896 15594 12748 16628 14838 11788 6724 7562 8196 7754 8356 10538 6872 9652 9074 9156 10788 9224 Maltitol Maltitol 53900 53636 59584 56732 56552 60372 52478 56946 53222 50184 49596 40938 54358 45072 46264 56334 52146 47966 47530 45324 48924 53084 49430 52898 Medroxyprogesterone Medroxyprogesterone 12456 8047 11002 8816 9050 9134 6060 4354 4552 3228 6574 4734 9536 6994 5214 7918 6854 6842 4388 6182 2592 4768 5012 6732 Melatonin Melatonin 3605 3918 3958 3772 4452 3490 5212 4882 4850 4632 4602 4288 3160 2208 3742 3124 2688 2976 3038 2504 2462 3614 3268 3672 Methylmalonic acid Methylmalonic acid 954 748 1152 702 760 1584 1310 1826 2386 1540 2032 2042 1344 1244 1086 1530 1296 1730 800 1674 1146 1426 826 1514 Mevalonic acid Mevalonic acid 3800 3738 4794 7578 5482 3002 10642 7364 8352 7178 13818 6088 5548 4584 9916 5584 4840 14248 5086 13318 7528 8790 5254 14912 N-Acetyl-L-alanine N-Acetylalanine 16476 16776 16824 17264 17034 16266 19692 18038 16042 21488 17332 15843 18042 18032 16822 19062 17834 17694 17792 16794 16192 18486 17702 16580 N-Acetylserotonin N-Acetylserotonin 9936 13170 12102 12062 13998 13196 14426 14980 12430 14560 15764 11818 11432 11938 12694 12518 11278 12320 11770 13538 14108 12146 13302 12142 Niacinamide Niacinamide 164 420 310 294 714 315 1504 1756 2258 1806 1454 2280 638 1054 1222 630 788 1002 1426 1714 914 1352 630 1414 N-Methyl-a-aminoisobutyric acid N-Methyl-alpha-aminoisobutyric acid 2284 814 1234 874 618 1718 2704 2180 1982 2508 2636 1154 976 1504 1388 890 1238 2346 1204 1494 1458 1328 2156 1192 N-Methyl-D-aspartic acid N-Methyl-D-aspartic acid 2988 3192 2296 2214 2822 2260 5460 6080 6524 4702 4902 4814 2610 2602 3226 2996 3004 2956 2152 2782 3048 2590 2670 2742 Nutriacholic acid 7-Ketolithocholic acid 359728 182642 376434 311056 149346 342104 186326 214390 232284 208394 263158 152478 324498 293716 217680 327114 290738 224192 131090 153608 194854 208370 77964 218892 Pantothenic acid Pantothenic acid 24016 32986 24928 26790 35840 25062 55540 59484 61692 58974 57474 65706 43744 49840 47618 38840 41678 45770 50788 54412 50892 51254 56286 57084 PC(16:0/16:0) PC 16:0/16:0 6280 2924 4112 4934 2546 3062 9332 13492 12590 7628 9124 8696 5094 15282 18124 3676 10810 16316 18512 4954 7992 17814 5698 7678 PC(18:1(9Z)/18:1(9Z)) PC 18:1(9Z)/18:1(9Z) 2286 1468 1036 1742 5752 1160 3536 17654 13314 4196 19918 15305 3238 5604 15374 1806 6878 16562 13684 4028 6810 11300 13182 4478 Phenylacetaldehyde Phenylacetaldehyde 6774 3864 5682 5522 3556 6726 10462 6310 8836 9666 7514 6970 5020 4744 3922 4054 2636 4404 4252 3548 3080 3652 3880 3192 Phosphocreatine Phosphocreatine 62102 1216 37852 69534 39902 161254 81698 79600 116286 75100 90018 43150 34704 40904 45858 32586 43944 20754 25176 21838 25952 31820 Propionic acid Propionic acid 2528 1366 970 1996 1520 1080 3888 4152 5046 3984 6054 4310 3996 4116 5484 4222 4832 4488 4038 4288 3954 5052 4192 4896 Pyridine Pyridine 1612 5070 1054 2530 4134 1214 3708 3076 4368 3944 3002 4866 2064 2494 2420 2662 2016 3472 4606 1902 1928 3164 2464 2026 Pyridoxal Pyridoxal 3116 2888 2950 3424 3758 2806 1512 1084 1354 2576 1190 826 2482 2496 2566 2000 2436 1722 2632 1660 1528 2404 1200 1574 Pyridoxal 5^-phosphate Pyridoxal 5'-phosphate 2004 2190 1626 1150 1901 1662 150 408 244 216 410 2542 3050 3006 2120 3256 2100 305 400 356 Pyrrolidonecarboxylic acid Pyroglutamic acid 20004 6094 10006 18508 5904 11190 30162 34156 42558 28434 35580 35112 15026 11784 17384 16292 10868 16850 9064 11750 13692 9776 12906 11228 Pyruvaldehyde Pyruvaldehyde 4428 4110 5358 4204 4902 4874 4896 5740 6206 4784 4598 4374 4856 5144 4642 4266 4654 3980 4182 4488 4036 4288 4002 4438 Salicin Salicin 726 840 682 530 968 594 3022 2480 2370 3206 2406 2648 1592 1472 2016 1450 1224 1592 1870 1586 1586 1334 1608 1922 Sebacic acid Sebacic acid 20324 10306 11250 15496 10820 11222 27988 18172 20702 21560 17404 20458 11962 8210 11992 10178 8272 11094 7976 10330 8201 8498 8366 8110 Spermine Spermine 308 7568 4364 302 7376 4750 62532 62008 56156 62046 59702 53894 30706 35934 50730 29074 38758 44118 39414 50546 43328 43216 42014 45400 Sphinganine Sphinganine 2928 1328 2626 1512 9986 5180 7114 8670 5082 7858 2388 1582 1636 1518 1868 984 1680 1340 1126 1120 1148 Sphingosine Sphingosine 28686 16520 15920 25246 16034 14290 50853 44188 52822 67162 45354 56176 18996 12090 16084 18200 14834 17472 9590 13308 12120 9736 12862 13316 Stearic acid Stearic acid 1168 1294 1652 1278 1208 1302 1456 1280 1380 1326 1360 1470 1234 1191 1338 1364 1218 1350 1504 1644 1828 1302 1526 1572 Succinylacetone Succinylacetone 19920 5414 8710 21232 5346 8776 14740 16036 13464 16462 16296 12982 12098 9494 13676 12404 8568 13086 14004 9648 9836 11994 10612 11674 Threonic acid Threonic acid 31656 44605 46980 32646 47878 45710 104704 86514 129786 115452 101954 128600 59421 75420 82686 58920 73620 74626 66274 55702 68042 63360 66328 62200 Trimethylamine Trimethylamine 778 1040 576 742 1318 812 1804 2110 2108 2322 2100 2316 1230 2244 2162 1402 1540 2794 1668 1668 1624 1094 2240 1248 Trimethylamine N-oxide Trimethylamine N-oxide 920 234 752 446 256 406 1416 1732 2990 1698 2710 2258 Xanthine Xanthine 10782 16722 12892 13086 15496 13984 25844 16660 26262 27688 18172 27480 32492 33302 27104 35530 34480 31780 22892 21118 20650 22058 24990 20286 Xanthosine Xanthosine 6912 8824 8560 7920 9460 8766 21120 23226 27010 23778 23430 27828 21804 21512 20664 20606 20038 19192 16180 15722 14888 15468 17626 19256