Data for (Study ST003790)
(Analysis AN006230)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 |
|---|---|---|---|---|---|---|
| (10S)-Juvenile hormone III acid diol isomer | 1.5443 | 1.9698 | 0.6075 | 0.6786 | 0.5767 | 0.7240 |
| 11(R)-HETE isomer | 0.4479 | 0.4900 | 1.7433 | 1.2233 | 1.2109 | 1.2148 |
| 1_25-Dihydroxyvitamin D3-26_23-lactone | 1.3209 | 1.5394 | 0.4849 | 0.6697 | 0.6394 | 1.3457 |
| 1-(4-Hydroxyphenyl)piperidin-2-one | 2.0255 | 2.1031 | 0.3959 | 0.4637 | 0.5077 | 0.7419 |
| 16alpha-Hydroxyprednisolone isomer | 1.2051 | 1.2817 | NA | 0.0164 | NA | NA |
| 1_6-anhydro-b-D-Glucose | 1.1566 | 1.4201 | 0.6080 | 0.8715 | 0.9750 | 1.3021 |
| (17alpha-23S)-Epoxy-28-29-dihydroxy-27-norlanost-8-ene-3-24-dione | 2.8847 | 3.0757 | 0.0068 | 0.0077 | 0.0083 | 0.0168 |
| 1-Aminocyclopropane-1-carboxylic acid | 1.4372 | 1.4799 | 0.4532 | 0.7274 | 1.2068 | 1.0023 |
| 1-Aminoproline | 1.5274 | 1.0350 | 0.4354 | 0.5977 | 1.7368 | 0.9856 |
| 1-Oxo-14_17_20_23-tetraoxa-2-thiapentacosan-25-oic acid isomer | 0.7230 | 0.8227 | 0.9672 | 1.2746 | 1.0299 | 1.3896 |
| 2_2^-(3-methylcyclohexane-1_1-diyl)diacetic acid | 1.4026 | 1.3289 | 0.9601 | 0.9326 | 0.8003 | 0.7404 |
| 2_3-Dihydroxybenzoic acid | 1.9458 | 2.8235 | 0.3408 | 0.4203 | 0.3816 | 0.4132 |
| 2_4-diamino-6-nitrotoluene isomer | 2.7235 | 3.2239 | 0.0308 | 0.0492 | 0.0612 | 0.0778 |
| 2_4-Dinitrophenylhydrazine isomer | 1.4811 | 0.6228 | 1.5741 | 0.8587 | 1.0369 | 0.7579 |
| 2-Amino-3_7-dideoxy-D-threo-hept-6-ulosonic acid | 1.8546 | 2.9349 | 0.2432 | 0.2862 | 0.3635 | 0.6485 |
| 2-Aminobutyric acid | 1.8897 | 1.3757 | 0.3600 | 0.6877 | 1.0987 | 0.9203 |
| 2-aminohexadecanoic acid | 0.0650 | 0.0812 | 0.4137 | 1.4035 | 0.3595 | 2.2973 |
| 2-Dehydro-D-xylonate isomer | 1.9972 | 1.8989 | 0.4476 | 0.6122 | 0.7463 | 0.6158 |
| 2-dehydrogluconate | 2.5336 | 0.9378 | 1.0557 | 0.6513 | 0.6850 | 0.4678 |
| 2-Deoxyglucose | 0.4812 | 0.6395 | 1.0477 | 1.3539 | 1.1266 | 1.6843 |
| 2-Ethylbutyraldehyde isomer | 1.3693 | 1.7130 | 0.4331 | 0.7907 | 1.1694 | 0.7739 |
| 2-Hydroxy-5-oxo-L-proline isomer | 1.2733 | 1.6674 | 0.5863 | 0.7966 | 0.9877 | 0.9852 |
| 2-Hydroxydecanedioic acid | 2.4153 | 2.9560 | 0.2166 | 0.2513 | 0.1965 | 0.2912 |
| 2-hydroxyglutarate | 3.0850 | 1.8359 | 0.4016 | 0.2198 | 0.6094 | 0.1807 |
| 2-hydroxymexiletine | 1.5075 | 1.7330 | 0.5054 | 0.6339 | 0.7968 | 1.0634 |
| 2-Hydroxypyridine isomer | 2.5843 | 3.4066 | 0.0374 | 0.0484 | 0.0306 | 0.0629 |
| 2-Hydroxyvaleric acid | 1.0123 | 0.6551 | 0.3287 | 0.5186 | 3.4494 | 0.3613 |
| 2-Isopropylmalic acid | 2.2687 | 2.3099 | 0.2106 | 0.2030 | 1.1150 | 0.2102 |
| 2-keto-isocaproate | 2.2996 | 2.5686 | 0.2896 | 0.3352 | 0.3799 | 0.3582 |
| 2-keto-isovalerate | 1.5740 | 1.8771 | 0.5324 | 0.6539 | 0.7866 | 0.7693 |
| 2-Methylbutyroylcarnitine | 2.4588 | 2.5951 | 0.2616 | 0.2196 | 0.2026 | 0.5513 |
| 2-Nonenoic acid isomer | 2.2090 | 1.6783 | 0.8252 | 0.6116 | 0.4384 | 0.5180 |
| 2-O-Ethyl ascorbic acid isomer | 2.1229 | 2.3932 | 0.3280 | 0.4401 | 0.4902 | 0.5500 |
| 2-O-Methylascorbic acid | 0.9009 | 1.2163 | 0.8235 | 1.2948 | 1.1068 | 0.9899 |
| 2-Oxoadipic acid | 1.8750 | 0.9245 | 0.9017 | 0.8379 | 0.6356 | 1.1552 |
| 2-Phenylethanol glucuronide | 1.9920 | 2.0891 | 0.3672 | 0.5503 | 0.4807 | 0.8439 |
| 2-Pyridylacetic acid | 2.0562 | 2.5794 | 0.2718 | 0.3093 | 0.4013 | 0.7037 |
| 3-(3-Methoxyphenyl)propionic acid | 1.3066 | 1.9702 | 0.7204 | 0.9147 | 0.5487 | 0.6639 |
| 3_4-Dihydroxyphenylglycol O-sulfate | 2.5470 | 1.3721 | 0.6725 | 0.4115 | 0.3115 | 0.6854 |
| 3_4-Dimethoxyphenylacetic acid | 1.4211 | 1.5514 | 0.5023 | 0.7195 | 0.9071 | 1.1833 |
| 3alpha-Hydroxyoreadone isomer | 1.2090 | 1.5741 | 0.9452 | 0.6272 | 0.4716 | 1.4455 |
| 3-Dehydro-2-deoxyecdysone | 1.5552 | 1.5202 | 0.7054 | 0.7936 | 0.5073 | 1.2498 |
| 3-Dehydrocholate | 0.5181 | 0.4175 | 1.7576 | 1.2689 | 1.3525 | 1.0187 |
| 3-Furoic acid | 1.5288 | 1.2089 | 1.0403 | 0.9821 | 0.7491 | 0.7543 |
| 3-(Hexane-1-sulfinyl)-N-N-bis(2-hydroxyethyl)prop-2-enamide isomer | 0.9726 | 0.6779 | 0.6593 | 0.6427 | 0.6547 | 2.3928 |
| 3-Hydroxyanthranilic acid | 1.9338 | 2.0141 | 0.4225 | 0.6193 | 0.6311 | 0.6711 |
| 3-hydroxybutyrate | 0.6828 | 0.9907 | 0.9724 | 1.0097 | 0.7167 | 1.9541 |
| 3 Hydroxycoumarin isomer | 2.2768 | 2.2497 | 0.3246 | 0.6052 | 0.3264 | 0.5246 |
| 3-Hydroxymelatonin | 0.6203 | 0.7473 | 1.9782 | 1.2890 | 0.5431 | 0.8220 |
| 3-Hydroxypropionic Acid | 1.7986 | 1.6962 | 1.2212 | 0.4683 | 0.6826 | 0.4551 |
| 3-Indolebutyric acid | 0.1401 | 0.1069 | 1.3265 | 1.3221 | 1.3803 | 2.0557 |
| 3-Isopropylmalic acid isomer | 1.6936 | 1.9040 | 0.6089 | 0.7935 | 0.9964 | 0.3355 |
| (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate | 2.0657 | 2.3565 | 0.2917 | 0.4339 | 0.4449 | 0.4073 |
| 3-Methylglutaconic Acid | 0.4520 | 0.4973 | 1.2790 | 1.8661 | 1.0978 | 1.1395 |
| 3-Methyl-L-histidine isomer | 0.7390 | 0.9602 | 1.3686 | 1.2197 | 0.5410 | 1.5032 |
| 3-Nitro-L- tyrosine | 2.9915 | 3.1945 | 0.0324 | 0.0330 | 0.0348 | 0.0457 |
| 3-O-alpha-D-Glucopyranuronosyl-D-xylose | 1.0799 | 1.0598 | 0.8931 | 1.7501 | 0.8847 | 0.3324 |
| 3-Phenylpropionate | 2.2958 | 3.0424 | 0.1720 | 0.3170 | 0.1035 | 0.3972 |
| 3-Ureidopropionic acid | 2.8696 | 0.9733 | 1.1465 | 0.3568 | 0.6997 | 0.2808 |
| 4-Acetamidobutyric acid | 2.8290 | 0.8460 | 0.9378 | 0.6270 | 0.6989 | 0.3775 |
| 4-Aminoisophthalic acid | 2.2608 | 2.2095 | 0.2323 | 0.3524 | 0.8725 | 0.3918 |
| 4-Ethylphenol | 3.1508 | 2.7110 | 0.1009 | 0.1102 | 0.0472 | 0.0502 |
| 4-Ethylphenyl sulfate | 1.7213 | 2.3436 | 0.5196 | 0.5746 | 0.4668 | 0.6920 |
| 4-formyl Indole | 2.3084 | 0.8355 | 1.1060 | 0.6306 | 0.6403 | 0.7944 |
| 4-hydroxybutyrate | 0.7008 | 0.9918 | 0.9655 | 1.0092 | 0.7576 | 1.8981 |
| 4-Hydroxy-L-phenylglycine | 2.0486 | 2.4376 | 0.3413 | 0.5266 | 0.3673 | 0.5908 |
| 4-hydroxyphenylacetate | 2.3002 | 1.4984 | 0.5561 | 0.6027 | 0.2726 | 1.1018 |
| 4-Methyleneglutamic acid isomer | 2.8956 | 3.2520 | 0.0369 | 0.0381 | 0.0405 | 0.0696 |
| 4-methylene-glutamine | 1.5568 | 2.6000 | 0.3128 | 0.4416 | 0.3935 | 1.0066 |
| 4-Methylene-L-glutamine isomer | 2.5482 | 3.1424 | 0.1110 | 0.1593 | 0.1526 | 0.2140 |
| 4-Methylvaleric acid | 0.8678 | 0.7474 | 0.6689 | 1.0135 | 0.9261 | 2.0560 |
| 4-Pyridoxic acid | 1.4893 | 2.2403 | 1.0137 | 0.5644 | 0.5237 | 0.5017 |
| 5_6-Dihydrouridine | 2.3534 | 0.8199 | 0.4370 | 0.4813 | 1.0410 | 0.8674 |
| 5_6-Dihydroxyprostaglandin F1a | 2.3251 | 2.5921 | 0.2871 | 0.3416 | 0.2949 | 0.4825 |
| 5-aminovaleric acid | 1.6829 | 1.2756 | 0.6120 | 0.7910 | 1.1638 | 0.8076 |
| 5^-Carboxy-alpha-chromanol | 0.6824 | 1.0789 | 0.6988 | 0.8472 | 0.4485 | 2.5043 |
| 5-hydroxyindole-3-acetic acid | 3.2893 | 2.8103 | 0.0548 | 0.0467 | 0.0412 | 0.0910 |
| 5-Keto-D-gluconic acid | 0.4825 | 0.6411 | 0.7557 | 1.2814 | 1.7134 | 1.3500 |
| 5-L-Glutamyl-L-alanine isomer | 1.8273 | 1.8637 | 0.3614 | 0.5614 | 0.7361 | 0.8164 |
| 5-L-Hydroxytryptophan | 2.5264 | 2.6671 | 0.2368 | 0.2666 | 0.2330 | 0.3882 |
| 5-Methoxytryptophan | 2.2167 | 2.6317 | 0.2343 | 0.2370 | 0.2810 | 0.7215 |
| 6-Aminopenicillanate | 2.4966 | 2.9939 | 0.0009 | 0.0010 | 0.0008 | 0.0087 |
| 6-Deoxohomodolichosterone | 0.6530 | 0.6665 | 1.0826 | 1.3450 | 1.0293 | 1.5569 |
| [6]-Gingerdiol 3-5-diacetate isomer | 0.6973 | 0.4892 | 0.8699 | 1.5345 | 1.2404 | 1.4948 |
| 7-Ethoxycoumarin isomer | 2.8852 | 3.2299 | 0.0401 | 0.0651 | 0.0348 | 0.0752 |
| 7-methylguanosine | 0.5516 | 0.5254 | 0.9249 | 1.3482 | 0.5895 | 2.0604 |
| 7-Sulfocholic acid | 0.4848 | 0.5862 | 0.5459 | 1.3145 | 1.6009 | 1.6344 |
| Acetylglycine | 1.2920 | 1.6301 | 0.8416 | 0.9051 | 0.9917 | 0.6506 |
| Acetyl-N-(2-sulfoethyl)-L-alpha-glutamine | 1.1005 | 1.6396 | 1.3130 | 0.3884 | 0.2462 | 1.3123 |
| Achalensolide | 1.4820 | 1.2503 | 0.4331 | 0.9256 | 0.1691 | 1.6888 |
| adenine | 1.6690 | 1.4321 | 0.3537 | 0.5969 | 0.5666 | 1.7106 |
| Adipic acid isomer | 0.7296 | 0.8406 | 0.9189 | 1.2726 | 1.0882 | 1.4777 |
| Adonitol | 2.4691 | 1.6309 | 0.7440 | 0.5015 | 0.6741 | 0.3087 |
| Adynerin isomer | 2.7873 | 2.2786 | 0.5530 | 0.1012 | 0.0425 | 0.0931 |
| a-ketoglutarate | 1.6229 | 1.4717 | 0.7896 | 0.5961 | 0.8770 | 0.8086 |
| alanine | 1.7605 | 1.2857 | 0.5639 | 0.6374 | 1.3207 | 0.7636 |
| Ala Ser | 0.8225 | 0.5099 | 0.2047 | 0.9442 | 2.9950 | 0.8569 |
| Ala Thr Gln | 2.1341 | 2.1239 | 0.2269 | 0.1889 | 0.2949 | 1.0313 |
| alpha-Ketoglutaramate | 1.9611 | 2.3404 | 0.4650 | 0.4553 | 0.3093 | 0.7980 |
| Aminoadipic acid | 2.1212 | 2.0953 | 0.4666 | 0.5149 | 0.6396 | 0.4856 |
| aminohydroxyphenylalanine isomer | 1.3051 | 1.3872 | 0.6605 | 1.0762 | 0.5915 | 1.2769 |
| Aminolevulinic acid | 1.2666 | 3.3948 | 0.3655 | 0.3262 | 0.8493 | 0.1301 |
| AMP | 2.2360 | 1.2772 | 0.2018 | 0.4183 | 1.9443 | 0.2089 |
| anthranilate | 0.6218 | 0.7003 | 0.9849 | 0.9848 | 1.2667 | 1.7705 |
| Apigenin 7-sulfate | 2.5468 | 2.4009 | 0.0429 | 0.0041 | 0.0032 | 0.0057 |
| Arabinonic acid isomer | 0.8414 | 0.5800 | 0.3331 | 2.4757 | 2.0172 | 0.0601 |
| arachidoyl carnitine C20:0 isomer | 0.8073 | 1.0017 | 0.1048 | 2.0258 | 1.0732 | 1.0492 |
| arginine | 2.2839 | 1.4233 | 0.2034 | 0.5769 | 0.9014 | 0.9441 |
| Arg Thr Arg Asn isomer | 2.9678 | 1.1169 | 0.2830 | 0.4214 | 0.4429 | 0.9344 |
| Arteether isomer | 1.3926 | 1.6459 | 0.6490 | 0.7205 | 0.7966 | 1.0824 |
| Ascorbate 2-sulfate isomer | 0.5477 | 0.5796 | 0.9467 | 2.2470 | 0.9836 | 0.6956 |
| asparagine | 2.3948 | 1.8311 | 0.4524 | 0.4361 | 0.0708 | 1.1467 |
| Asparaginyl-Hydroxyproline isomer | 1.6219 | 2.2565 | 0.4735 | 0.4765 | 0.3190 | 0.8526 |
| Asparagoside A isomer | 0.7503 | 1.0827 | 1.6919 | 0.6797 | 0.9678 | 0.8276 |
| aspartate | 1.2005 | 0.4425 | 0.1762 | 1.3860 | 2.3302 | 0.7979 |
| Aspartylhydroxyproline | 1.6666 | 1.9613 | 0.4375 | 0.4958 | 0.9132 | 0.6911 |
| aspartyltaurine | 1.1757 | 1.0684 | 1.2386 | 0.4543 | 0.7573 | 1.3057 |
| Asp Gly | 2.1821 | 2.0381 | 0.3543 | 0.5050 | 0.6499 | 0.5878 |
| athyriol isomer | 1.2414 | 1.4395 | 0.4429 | 0.7839 | 0.6100 | 1.4173 |
| Azadirone isomer | 1.7186 | 2.5327 | 0.1748 | 0.2383 | 1.0746 | 0.1396 |
| Benozic acid | 0.9313 | 1.0973 | 1.2986 | 1.2543 | 0.7373 | 0.9738 |
| Benzoic acid isomer | 1.9630 | 2.2952 | 0.3873 | 0.8465 | 0.4212 | 0.3214 |
| Benzyl b-L-arabinopyranoside | 1.8134 | 2.3825 | 0.4541 | 0.6400 | 0.5388 | 0.3676 |
| BICINE | 2.2290 | 1.8837 | 0.3256 | 0.4229 | 0.4484 | 1.0201 |
| biotin | 2.0680 | 2.0604 | 0.1762 | 0.3449 | 0.1643 | 1.3512 |
| C11:0(Undecanoic acid) | 0.6899 | 0.4105 | 1.7075 | 0.8560 | 1.7629 | 0.8674 |
| C14:0(Myristic acid) | 0.8775 | 0.5196 | 1.0734 | 1.3699 | 1.3732 | 1.1069 |
| C14:2 | 0.7974 | 0.5653 | 1.5033 | 1.1038 | 0.6302 | 1.7270 |
| C15:0 | 0.4059 | 0.2228 | 0.6005 | 1.5320 | 1.8911 | 1.6794 |
| C15:1 | 2.4808 | 2.0733 | 0.5086 | 0.4604 | 0.3118 | 0.4906 |
| C16:0 | 1.2226 | 1.0566 | 0.8314 | 1.1094 | 0.8109 | 1.2786 |
| C16:1 | 1.3157 | 1.1275 | 0.9804 | 0.9838 | 0.7000 | 1.2219 |
| C16:2 | 1.8674 | 1.6653 | 0.9020 | 0.6216 | 0.3582 | 0.9168 |
| C17:0 | 0.7541 | 0.6047 | 0.9008 | 1.5200 | 1.5287 | 1.0155 |
| C17:1 | 1.6207 | 1.4343 | 0.8285 | 0.8552 | 0.6245 | 0.9638 |
| C17:2 | 2.5090 | 2.2266 | 0.3972 | 0.3018 | 0.2524 | 0.4775 |
| C18:0 | 0.6535 | 0.6300 | 1.1760 | 1.3662 | 1.1919 | 1.2830 |
| C18:1 | 1.9239 | 1.7984 | 0.4753 | 0.5930 | 0.4115 | 1.1306 |
| C18:2 | 2.7388 | 2.7189 | 0.2794 | 0.1758 | 0.1570 | 0.2634 |
| C18:4 | 3.1213 | 2.8412 | 0.1097 | 0.0787 | 0.0486 | 0.1333 |
| C19:0 | 0.5649 | 0.5454 | 1.3209 | 1.4219 | 1.2489 | 1.2140 |
| C19:1 | 0.7498 | 0.7360 | 1.0289 | 0.9951 | 0.6556 | 2.1649 |
| C19:2 | 1.7232 | 1.7798 | 0.6695 | 0.6643 | 0.4053 | 1.0864 |
| C19:3 | 0.9252 | 0.9081 | 1.2253 | 1.0431 | 0.5942 | 1.6265 |
| C20:0(Arachidic acid) | 0.6528 | 0.6817 | 1.2983 | 1.5410 | 1.0709 | 1.0792 |
| C20:1 | 1.0152 | 1.0037 | 0.8901 | 1.3186 | 0.5716 | 1.5339 |
| C20:2 | 0.7605 | 0.7660 | 1.1423 | 1.4406 | 0.5682 | 1.6558 |
| C20:3 | 0.7664 | 0.7328 | 0.9499 | 1.1135 | 0.7046 | 2.0662 |
| C20:4 | 0.4958 | 0.6369 | 1.0592 | 1.1333 | 0.9866 | 2.0215 |
| C20:5 | 2.7504 | 2.8701 | 0.1575 | 0.1355 | 0.1996 | 0.2192 |
| C21:0 | 0.2762 | 0.2983 | 1.6416 | 1.8583 | 1.2298 | 1.0202 |
| C21:1 | 0.4200 | 0.3844 | 1.3396 | 1.6618 | 1.2396 | 1.2844 |
| C21:2 | 1.1323 | 1.3911 | 0.8211 | 1.2271 | 0.7375 | 1.0182 |
| C21:3 | 1.2643 | 1.1068 | 0.9021 | 0.9876 | 0.5671 | 1.3376 |
| C21:4 | 2.6883 | 2.4122 | 0.3112 | 0.2580 | 0.1674 | 0.3293 |
| C22:1 | 0.7469 | 0.7521 | 0.9356 | 1.4994 | 1.0654 | 1.3321 |
| C22:2 | 0.9384 | 0.8672 | 1.0174 | 1.5740 | 0.6007 | 1.3352 |
| C22:3 | 1.6178 | 1.3124 | 0.6673 | 1.1469 | 0.3807 | 1.2082 |
| C22:4 | 1.1829 | 1.1809 | 0.7626 | 1.0381 | 0.6098 | 1.3923 |
| C22:5 | 1.6856 | 1.4938 | 0.5584 | 0.7070 | 0.5196 | 1.2022 |
| C22:6 | 1.8944 | 1.8814 | 0.4460 | 0.5370 | 0.3773 | 1.1972 |
| C23:0 | 0.5543 | 0.6414 | 1.2568 | 1.6479 | 1.3196 | 0.9075 |
| C23:1 | 0.6271 | 0.5944 | 1.1335 | 1.6262 | 1.1249 | 1.2261 |
| C23:2 | 1.1197 | 1.2231 | 0.7832 | 1.0890 | 0.8689 | 1.0801 |
| C24:0(Lignoceric acid) | 0.6566 | 0.7305 | 1.2680 | 1.5944 | 1.2716 | 0.8036 |
| C24:1 | 0.7414 | 0.8272 | 1.0758 | 1.5453 | 1.0594 | 1.0839 |
| C24:2 | 1.0345 | 1.0136 | 0.7677 | 1.3418 | 0.9898 | 1.1857 |
| C24:3 | 0.8071 | 0.7614 | 0.9002 | 1.4313 | 0.9220 | 1.3445 |
| C24:4 | 0.5545 | 0.5603 | 0.9715 | 1.5008 | 0.8192 | 1.9266 |
| C24:5 | 1.0986 | 1.0197 | 0.6930 | 1.0665 | 0.5718 | 1.5503 |
| C24:6 | 1.3730 | 1.5845 | 0.5123 | 0.7529 | 0.4307 | 1.3467 |
| C25:0 | 0.6874 | 0.7501 | 1.1903 | 1.5468 | 1.2664 | 0.8371 |
| C25:1 | 0.4866 | 0.5765 | 1.3829 | 1.7631 | 1.2058 | 0.9144 |
| C25:2 | 1.3346 | 1.2891 | 0.7365 | 1.0332 | 0.8531 | 0.9172 |
| C25:3 | 3.0077 | 2.7491 | 0.0181 | 0.0274 | 0.0120 | 0.0281 |
| C26:0(Cerotic acid) | 0.6470 | 0.6554 | 1.1438 | 1.6912 | 1.3520 | 0.7935 |
| C26:1 | 0.4814 | 0.5972 | 1.5296 | 1.7189 | 1.1436 | 0.8606 |
| C26:2 | 0.7363 | 0.8683 | 0.9836 | 1.3101 | 1.0436 | 1.2243 |
| C26:3 | 1.0012 | 0.8720 | 0.6265 | 1.0654 | 0.8593 | 1.5755 |
| C26:4 | 1.0509 | 0.9846 | 1.4417 | 1.0016 | 0.4137 | 1.4399 |
| C26:5 | 1.5424 | 1.2718 | 0.7286 | 0.8069 | 0.4397 | 1.2106 |
| C26:6 | 1.8754 | 2.3224 | 0.2976 | 0.4068 | 0.2988 | 0.7989 |
| Capryloyl glycine | 0.9654 | 0.6885 | 0.6890 | 0.9298 | 2.3790 | 0.6480 |
| Carnosic acid isomer | 2.7087 | 2.7334 | 0.0108 | 0.0360 | 0.0129 | 0.0141 |
| Castanospermine isomer | 2.8988 | 3.3312 | 0.0140 | 0.0169 | 0.0301 | 0.0395 |
| Catechol | 2.0429 | 3.2634 | 0.2091 | 0.2855 | 0.2113 | 0.3134 |
| Chenodeoxycholic acid | 0.7868 | 0.4827 | 0.8788 | 1.4109 | 0.7021 | 2.0720 |
| Cholesteryl sulfate | 0.7812 | 0.7625 | 1.0438 | 1.1841 | 0.9733 | 1.5883 |
| cholic acid | 0.7838 | 0.5687 | 1.3112 | 1.4191 | 0.7307 | 1.5200 |
| Chondroitin isomer | 2.0691 | 2.6111 | 0.0220 | 0.0348 | 0.0394 | 1.2236 |
| Cincassiol B isomer | 0.9572 | 1.1114 | 1.0625 | 1.0062 | 0.5358 | 1.6131 |
| Cinnamic acid | 1.6436 | 1.7063 | 0.4774 | 0.8683 | 1.4945 | 0.1265 |
| Citronellyl propionate isomer | 0.5089 | 0.4095 | 2.6122 | 0.9641 | 0.7988 | 0.8832 |
| Corey PG-Lactone Diol isomer | 2.0876 | 2.9808 | 0.2679 | 0.3233 | 0.2343 | 0.4153 |
| Corosolic acid isomer | 2.7501 | 2.8864 | 0.0491 | 0.0431 | 0.0397 | 0.0722 |
| Corticosterone | 1.0532 | 1.3444 | 0.7866 | 1.0353 | 0.9123 | 1.3917 |
| Cortisol 21-acetate isomer | 0.3042 | 0.3499 | 0.9951 | 1.3038 | 1.3275 | 1.5299 |
| cresol | 1.9142 | 1.9982 | 0.5456 | 0.5776 | 0.3274 | 0.9269 |
| Curlone isomer | 1.5044 | 1.2020 | 0.5744 | 0.8478 | 0.6447 | 2.0419 |
| Cyclic-ADP-ribose | 1.4665 | 1.1176 | 0.2130 | 0.7684 | 1.9732 | 0.6277 |
| cyclic AMP | 0.9442 | 0.8655 | 0.4739 | 0.9402 | 2.1757 | 0.6004 |
| Cystathionine ketimine isomer | 1.9348 | 2.6861 | 0.5258 | 0.4214 | 0.3524 | 0.4120 |
| Cysteine S-sulfate | 1.0280 | 1.1032 | 1.5724 | 0.8690 | 0.6679 | 0.9189 |
| cytidine | 0.9703 | 0.7852 | 0.7841 | 0.9463 | 0.8644 | 1.9824 |
| D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose | 0.1675 | 0.2022 | 0.7072 | 0.9142 | 0.8723 | 3.1366 |
| DAG(34:1) | 0.7775 | 0.8554 | 0.7993 | 0.9531 | 1.1800 | 1.4987 |
| DAG(34:2) | 0.6221 | 0.6244 | 0.7710 | 0.9210 | 1.1705 | 2.0473 |
| DAG(39:6) | 0.8439 | 0.9677 | 0.2859 | 0.8778 | 2.5942 | 0.4305 |
| Dehydrocholic acid | 0.9703 | 0.8113 | 0.6656 | 0.8694 | 0.9460 | 1.9310 |
| dehydroretinal isomer | 2.0773 | 1.6358 | 0.3830 | 0.5817 | 0.2783 | 0.9410 |
| De-O-methylsterigmatocystin | 2.0915 | 2.4291 | 0.4110 | 0.3497 | 0.2294 | 0.4893 |
| deoxyguanosine | 1.2674 | 1.2717 | 0.3140 | 0.5594 | 0.4601 | 2.4602 |
| deoxyinosine | 1.6006 | 1.9633 | 0.4825 | 0.6783 | 0.5050 | 0.7703 |
| deoxyuridine | 1.5143 | 1.0657 | 0.3494 | 0.9205 | 1.1222 | 1.3606 |
| D-Galactonic acid | 2.9192 | 2.4944 | 0.2216 | 0.1652 | 0.3969 | 0.1333 |
| D-(+)-Glucuronic acid-lactone | 1.4717 | 1.8148 | 0.6694 | 0.8147 | 0.8311 | 0.7311 |
| DiHETE isomer | 0.7119 | 0.8524 | 2.2763 | 0.9452 | 0.6180 | 0.9152 |
| Dihydroroseoside isomer | 1.6614 | 2.1536 | 0.6584 | 0.6251 | 0.3959 | 0.7710 |
| Dihydrothymine isomer | 2.0269 | 1.4369 | 1.0433 | 0.5641 | 0.8392 | 0.4068 |
| Dihydrouracil | 2.0040 | 2.5357 | 0.3269 | 0.3753 | 0.4241 | 0.4301 |
| dihydroxycholesterol | 1.2665 | 1.1361 | 0.6668 | 1.1459 | 0.5000 | 1.4513 |
| Dimethylformamide | 0.9952 | 1.2055 | 0.9740 | 1.0585 | 1.3717 | 0.6901 |
| Dimethylmalonic acid | 1.0770 | 1.1935 | 0.8383 | 1.2344 | 0.8474 | 1.1377 |
| DL-4-Hydroxy-3-methoxymandelic acid | 1.8482 | 2.3337 | 0.4117 | 0.7556 | 0.6793 | 0.2959 |
| Docosyl 4-hydroxybenzoate isomer | 0.5551 | 0.5569 | 0.8961 | 1.0401 | 1.0869 | 2.0315 |
| Dopamine | 1.0999 | 1.1474 | 0.8638 | 0.6487 | 0.8701 | 1.6884 |
| D-Phenyllactic acid | 2.8254 | 2.5684 | 0.1929 | 0.2665 | 0.4079 | 0.0639 |
| D-phospho-L-serine | 1.1105 | 0.7944 | 0.6517 | 1.0418 | 1.2780 | 1.1237 |
| Ecgonine | 0.5820 | 0.6140 | 1.0122 | 1.0086 | 1.4791 | 1.6193 |
| Enilconazole | 0.9972 | 1.3532 | 0.6177 | 0.3627 | 2.3556 | 0.3136 |
| epsilon-(gamma-Glutamyl)-lysine | 1.5930 | 1.6667 | 0.5264 | 0.7155 | 0.7558 | 1.0620 |
| Esculentic acid isomer | 2.2230 | 3.2618 | 0.0027 | 0.0060 | 0.0019 | 0.0085 |
| Ethyl 7-(2-formyl-5-oxopyrrolidin-1-yl)heptanoate isomer | 2.8810 | 3.3508 | 0.0232 | 0.0148 | 0.0262 | 0.0291 |
| Ethyl glucuronide | 0.9283 | 1.0317 | 0.5703 | 0.5824 | 0.3845 | 2.8309 |
| Ethylmethylmaleimide isomer | 0.9618 | 1.1341 | 0.8724 | 0.9079 | 0.8137 | 1.6417 |
| Etiprednol isomer | 1.5105 | 1.8494 | 0.3773 | 0.3029 | 0.2493 | 1.9982 |
| Fasciculol C isomer | 0.0851 | 0.0250 | 1.3644 | 1.4947 | 1.3738 | 1.6570 |
| FMN | 1.8069 | 1.5949 | 0.2826 | 0.5411 | 1.3492 | 0.4254 |
| Fructoselysine | 2.6581 | 2.4788 | 0.2121 | 0.1947 | 0.1510 | 0.3051 |
| Fructosyl-glycine | 1.8721 | 0.8971 | 0.8075 | 0.9400 | 0.6124 | 1.0371 |
| fumarate | 1.0853 | 1.2490 | 0.2562 | 0.4271 | 3.1493 | 0.1581 |
| Fumarylacetoacetate | 2.4944 | 2.6698 | 0.2510 | 0.3680 | 0.3074 | 0.2323 |
| Galacturonic acid | 2.5005 | 0.9641 | 1.0516 | 0.6598 | 0.6830 | 0.4725 |
| gamma-D-Glutamylglycine | 0.0783 | 0.1701 | 2.5440 | 1.4976 | 0.7819 | 1.0942 |
| Gamma-Glu-Leu | 1.6752 | 2.0091 | 0.4999 | 0.4287 | 0.5392 | 1.1778 |
| gamma-Glutamyltyrosine | 2.4112 | 2.9099 | 0.1106 | 0.2546 | 0.1333 | 0.3450 |
| Ganoderic acid isomer | 1.4275 | 1.4048 | NA | NA | 0.0003 | 0.0020 |
| Gelcohol | 1.1256 | 1.1905 | 0.8692 | 0.9662 | 0.6018 | 1.4642 |
| Gibberellin A14 isomer | 2.8987 | 3.1004 | 0.0937 | 0.0917 | 0.0213 | 0.1266 |
| Ginsenoside Rh3 isomer | 0.2342 | 0.2502 | 1.1437 | 1.3799 | 0.4259 | 2.5661 |
| glucono-lactone | 1.0838 | 1.3726 | 0.8942 | 0.9677 | 0.7172 | 1.2973 |
| glucosamine | 2.6936 | 3.1212 | 0.0748 | 0.1353 | 0.1643 | 0.1417 |
| Glucose | 0.1494 | 0.2844 | 1.0260 | 1.0109 | 1.7696 | 2.0930 |
| glucose-6-phosphate | 1.4446 | 1.1479 | 0.1759 | 0.2386 | 3.0745 | 0.1189 |
| Glucosyl (2E-6E-10x)-10-11-dihydroxy-2-6-farnesadienoate | 1.3304 | 0.9828 | 0.8455 | 1.1826 | 0.7763 | 1.2066 |
| Glu-Gly isomer | 0.5690 | 0.8041 | 1.1609 | 0.9439 | 0.5063 | 2.3485 |
| Glu-Phe | 2.3261 | 2.6140 | 0.1709 | 0.2594 | 0.2441 | 0.3855 |
| Glutaconic acid | 2.9580 | 1.8613 | 0.4237 | 0.2575 | 0.5571 | 0.2678 |
| glutamate | 1.8741 | 1.3607 | 0.3687 | 0.6991 | 1.1027 | 0.9278 |
| glutamine | 2.0879 | 1.4893 | 0.6876 | 0.6669 | 1.1340 | 0.2431 |
| Glutamylaspartic acid | 2.5385 | 2.9190 | 0.1280 | 0.1198 | 0.1468 | 0.1479 |
| Glutaurine | 2.2061 | 2.1000 | 0.1917 | 0.1899 | 0.7741 | 0.5382 |
| Glu-Val | 2.2000 | 2.3603 | 0.3596 | 0.3716 | 0.5918 | 0.4468 |
| glycerate | 1.4540 | 1.9754 | 0.9720 | 0.5078 | 1.1728 | 0.2464 |
| Glycerol 3-phosphate | 0.9487 | 0.8293 | 0.3407 | 0.8520 | 2.7335 | 0.4373 |
| Glycerophosphoglycerol | 1.7426 | 1.8318 | 0.2920 | 0.5476 | 1.0758 | 0.8426 |
| Glycerylphosphorylethanolamine | 1.2719 | 2.0997 | 0.3519 | 0.3260 | 2.0912 | 0.1891 |
| glycine | 1.7480 | 1.2483 | 0.3420 | 0.6652 | 1.4117 | 0.9125 |
| glycocholic acid | 0.6793 | 0.5572 | 2.1000 | 0.9688 | 0.8493 | 0.9585 |
| Glycolic acid | 1.5273 | 1.8903 | 0.8712 | 0.7927 | 0.6231 | 0.6135 |
| Gly-His | 1.7270 | 1.3051 | 0.3153 | 0.8726 | 0.8988 | 0.8644 |
| Glyoxylic acid | 1.1065 | 1.2469 | 0.9098 | 0.9572 | 1.1327 | 0.9564 |
| Gly-Phe | 1.8098 | 1.9453 | 0.5229 | 0.6409 | 0.3696 | 1.0180 |
| Guaiacol | 1.0034 | 1.5569 | 0.7639 | 1.3127 | 0.3968 | 1.2705 |
| guanine | 2.8794 | 2.9859 | 0.0088 | 0.0489 | 0.0443 | 0.0327 |
| Guanosine | 1.5084 | 1.3080 | 0.5273 | 0.7715 | 0.9479 | 1.1035 |
| Gynocardin isomer | 2.2643 | 2.5178 | 0.2474 | 0.2948 | 0.2790 | 0.5624 |
| Hecogenin acetate isomer 2 | 2.5353 | 2.9377 | 0.1436 | 0.1320 | 0.0858 | 0.1656 |
| Hematoporphyrin | 1.5569 | 1.1207 | 0.3775 | 0.5851 | 0.8006 | 1.8945 |
| hexadecadienoyl carnitine C16:2 isomer 1 | 0.7291 | 0.4632 | 0.8803 | 1.2720 | 0.7287 | 1.9267 |
| Hexanoyl Glycine | 2.9227 | 0.4856 | 1.0907 | 0.4472 | 1.0132 | 0.3603 |
| Hexosal isomer | 1.1305 | 0.9283 | 0.8848 | 1.1046 | 1.6275 | 0.6561 |
| Homobaldrinal isomer | 1.2862 | 1.5069 | 0.9029 | 0.8340 | 0.7180 | 1.0742 |
| homocysteic acid | 1.5019 | 2.0085 | 0.5925 | 0.6523 | 0.7182 | 0.8546 |
| Homogentisic acid | 1.1794 | 1.7016 | 0.7172 | 1.1777 | 0.4206 | 1.1178 |
| Hydrogen iodide | 0.5452 | 0.2137 | 2.3685 | 1.2820 | 0.8848 | 0.9337 |
| Hydroquinone | 2.3657 | 3.0574 | 0.1803 | 0.2448 | 0.2224 | 0.2479 |
| Hydroxybutyrylcarnitine | 2.1678 | 3.4088 | 0.1094 | 0.1793 | 0.1616 | 0.1339 |
| Hydroxyhexanoycarnitine | 2.4591 | 3.0721 | 0.0782 | 0.1380 | 0.1071 | 0.4702 |
| Hydroxy Hippuric Acid | 2.6190 | 2.5730 | 0.3361 | 0.3103 | 0.2171 | 0.2589 |
| Hydroxy-methoxycinnamic acid | 1.7704 | 1.6955 | 0.7060 | 1.1483 | 0.5397 | 0.4396 |
| Hydroxymethylphosphonate | 0.8630 | 0.7019 | 1.3772 | 1.2358 | 1.5828 | 0.5525 |
| Hydroxyphenyllactic acid | 1.8804 | 2.3327 | 0.8011 | 0.6134 | 0.3854 | 0.3048 |
| hydroxyphenylpyruvate | 2.1698 | 1.5891 | 0.7939 | 0.6738 | 0.5734 | 0.4895 |
| Hydroxyprolyl-Valine | 1.5702 | 2.7556 | 0.4326 | 0.4662 | 0.4644 | 0.6300 |
| hydroxyvalerylglycine | 0.4256 | 0.5521 | 1.2964 | 1.7856 | 0.7801 | 1.4930 |
| Idebenone isomer | 1.2404 | 1.1657 | 0.8110 | 0.8776 | 0.6622 | 1.5523 |
| Imidazoleacetic acid ribotide isomer | 1.5026 | 1.4634 | 0.5653 | 0.8297 | 0.9586 | 0.6804 |
| Indican isomer | 2.1131 | 2.2581 | 0.3338 | 0.3832 | 0.3929 | 0.8473 |
| Indole | 1.9370 | 1.4930 | 0.4307 | 0.5279 | 0.3311 | 1.2803 |
| Indole-3-acetamide isomer | 1.1028 | 1.0759 | 0.9907 | 1.1364 | 0.8047 | 1.2208 |
| Indole-3-acetic acid | 1.1105 | 1.2918 | 0.7761 | 0.8962 | 0.9806 | 1.2733 |
| Indole-3-carboxylic acid | 2.5372 | 2.7109 | 0.1828 | 0.2414 | 0.1937 | 0.4671 |
| Indole-3-propionic acid | 1.2368 | 1.4056 | 0.6104 | 0.7374 | 1.1718 | 1.1652 |
| Indole-3-pyruvic acid | 1.2603 | 1.5471 | 0.7583 | 1.0639 | 0.7686 | 0.9180 |
| Indole-5_6-quinone | 1.3553 | 1.2626 | 0.8818 | 0.8991 | 0.5010 | 1.4063 |
| Indoleacetic acid | 2.0513 | 1.9503 | 0.4779 | 0.6639 | 0.5625 | 0.5854 |
| Indolelactic acid | 3.0256 | 2.0159 | 0.3240 | 0.2202 | 0.7065 | 0.0407 |
| inosine | 0.9435 | 0.9230 | 0.7981 | 1.1777 | 0.9759 | 1.5151 |
| Inositol cyclic phosphate isomer 1 | 1.5531 | 1.4475 | 0.5239 | 0.8448 | 1.0014 | 0.6294 |
| Isethionate | 1.0994 | 2.2782 | 0.8821 | 0.7491 | 0.4407 | 0.8832 |
| Isoalantolactone | 0.4769 | 0.5766 | 1.5216 | 1.1835 | 0.6723 | 1.2412 |
| isoglutamine | 0.8245 | 0.5124 | 0.2020 | 0.9491 | 2.9917 | 0.8529 |
| Isoliquiritigenin isomer | 2.2262 | 3.9722 | 0.0338 | 0.0280 | 0.0236 | 0.0491 |
| Isovaleric acid | 1.1284 | 1.1579 | 0.8116 | 1.0565 | 0.8305 | 1.2974 |
| Isovalerylglycine | 2.1337 | 2.6929 | 0.2835 | 0.2999 | 0.2383 | 0.6833 |
| Isovalerylglycine isomer | 1.8218 | 1.1591 | 0.9857 | 0.6830 | 1.0516 | 0.5746 |
| Kynurenic acid | 1.3715 | 1.3381 | 1.6714 | 0.8475 | 0.4082 | 0.6942 |
| lactate | 1.7881 | 1.6997 | 1.2017 | 0.4703 | 0.6905 | 0.4690 |
| Laurate | 0.5613 | 0.4214 | 2.4433 | 1.0374 | 0.9942 | 0.7289 |
| L-Cysteic acid | 2.1892 | 2.1385 | 0.1448 | 0.4338 | 0.9183 | 0.3416 |
| L-Dopa | 2.5201 | 2.8704 | 0.1740 | 0.2850 | 0.2022 | 0.2724 |
| Leu-Ala isomer | 1.6059 | 1.5924 | 0.5129 | 0.5486 | 1.3643 | 0.7058 |
| Leu-Arg | 1.4403 | 1.4785 | 0.3861 | 0.6310 | 1.4466 | 0.6175 |
| leucine | 1.8197 | 1.5523 | 0.7064 | 0.9109 | 0.5482 | 0.7954 |
| Leucinic acid | 0.8532 | 0.4551 | 0.6204 | 0.8155 | 3.2956 | 0.2855 |
| Leu-Gly | 1.2844 | 0.7478 | 0.2459 | 0.9844 | 2.3538 | 0.7166 |
| Leu-Ser isomer | 1.4077 | 1.6700 | 0.4444 | 0.5179 | 1.4950 | 0.7962 |
| Leu-Tyr | 0.9683 | 1.7756 | 0.4244 | 0.4683 | 0.6832 | 1.9989 |
| Leu-Val isomer | 0.8351 | 1.7678 | 1.1111 | 0.7386 | 0.7832 | 1.0866 |
| Lithocholic acid | 0.9199 | 0.8373 | 0.8202 | 1.0832 | 0.5657 | 2.1071 |
| L-Leucyl-L- Alanine | 1.5882 | 2.3086 | 0.3292 | 0.4265 | 0.9601 | 0.7160 |
| L-Menthyl acetoacetate isomer | 0.5841 | 0.6337 | 1.1660 | 1.2269 | 0.9575 | 1.7367 |
| L-Rhamnose | 0.4068 | 0.5037 | 1.0299 | 1.4082 | 1.2266 | 1.7581 |
| L-Threonic acid | 2.0368 | 1.4692 | 0.6438 | 0.3346 | 1.3372 | 0.3439 |
| Lys-Asp | 1.2875 | 1.5693 | 0.6780 | 0.5666 | 0.8240 | 1.2354 |
| lysine | 2.1727 | 1.3469 | 0.2658 | 0.6551 | 0.7207 | 1.0047 |
| LysoPE(20:1) | 1.1015 | 1.5815 | 1.1839 | 0.8195 | 0.3395 | 0.3186 |
| LysoPE(22:4) | 1.1628 | 0.7612 | 0.9493 | 1.1851 | 0.8029 | 1.3047 |
| LysoPG(18:0) | 0.7564 | 0.8082 | 0.3440 | 0.3843 | 3.3943 | 0.3128 |
| LysoPI(16:0) | 2.2899 | 2.8364 | 0.2522 | 0.1600 | 0.0834 | 0.0672 |
| Lys-Val | 1.2877 | 1.2207 | 0.5231 | 0.7802 | 1.1445 | 1.0438 |
| Macrocarpal C isomer | 1.5130 | 1.8810 | 0.0880 | 0.2034 | 1.7827 | 0.0698 |
| Maesol isomer | 2.7283 | 3.0117 | 0.0503 | 0.0666 | 0.0461 | 0.0971 |
| malate | 3.2567 | 2.2451 | 0.0873 | 0.0953 | 0.5593 | 0.0881 |
| Maleylacetate | 2.0624 | 1.9561 | 0.4056 | 0.5474 | 1.0234 | 0.2818 |
| Melibiouronic acid | 0.9954 | 0.9638 | 0.5440 | 0.9400 | 1.5046 | 1.2176 |
| Mescaline isomer | 0.5452 | 0.5799 | 1.0986 | 1.2123 | 0.8070 | 2.0281 |
| methionine | 1.0650 | 0.8940 | 0.5352 | 0.6206 | 1.8620 | 1.0231 |
| Methyl beta-glucuronide isomer | 2.0686 | 2.5085 | 0.2659 | 0.4177 | 0.4849 | 0.4205 |
| Methyl farnesoate isomer | 2.6760 | 2.2074 | 0.3059 | 0.3322 | 0.1857 | 0.6234 |
| Methylglucoside | 2.0090 | 1.6530 | 0.5068 | 0.6599 | 0.6256 | 0.8775 |
| Methylglucoside isomer | 1.5161 | 1.5253 | 0.5967 | 0.6881 | 0.7768 | 1.2281 |
| Methyl pantothenate isomer | 2.1857 | 3.4234 | 0.1723 | 0.1352 | 0.1335 | 0.2746 |
| Methylsuccinic acid | 2.5699 | 1.6723 | 0.1956 | 0.3295 | 1.1683 | 0.3007 |
| Methylsynephrine isomer | 1.5704 | 1.9967 | 0.4326 | 0.7142 | 0.3240 | 1.2021 |
| Momordicilin isomer | 1.6467 | 1.8747 | 0.4867 | 0.6012 | 0.5017 | 0.8891 |
| Muramic acid | 2.2175 | 1.9110 | 0.1577 | 0.2883 | 0.3621 | 1.0634 |
| Muramicitol isomer | 0.2807 | 0.1383 | 0.6890 | 1.8562 | 1.3385 | 1.5759 |
| Myristoleic acid C14:1 | 0.6737 | 0.4489 | 2.3580 | 1.0577 | 0.7054 | 1.0788 |
| N5-methyl-L-glutamine | 2.1675 | 1.5621 | 0.2644 | 0.5639 | 0.9501 | 0.8252 |
| N6-Galacturonyl-L-lysine isomer | 2.2347 | 2.4624 | 0.2177 | 0.2659 | 0.3278 | 0.4915 |
| N-Acetylasparagine | 1.5299 | 1.5867 | 0.9217 | 0.6578 | 1.0147 | 0.6206 |
| N-acetyl-aspartate | 1.3957 | 3.7385 | 0.4056 | 0.3745 | 0.2720 | 0.1469 |
| N-Acetyl-D-fucosamine | 2.5710 | 2.4693 | 0.5360 | 0.3007 | 0.1695 | 0.2864 |
| N-Acetyl-glucosamine | 1.9120 | 2.1111 | 0.4684 | 0.4540 | 0.4665 | 0.9194 |
| N-acetyl-glucosamine-6-Phosphate | 2.1617 | 1.8015 | 0.2411 | 0.3261 | 1.5269 | 0.1084 |
| N-acetyl-glutamate | 1.7931 | 1.6150 | 0.3772 | 0.7156 | 1.0431 | 0.7893 |
| N-acetyl-glutamine | 1.4869 | 1.1595 | 0.7604 | 0.8038 | 1.5321 | 0.5870 |
| N-acetyl-L-2-aminoadipate | 0.9259 | 1.1136 | 2.4167 | 0.6594 | 0.3838 | 0.8335 |
| N-Acetyl-L-alanine | 1.5384 | 1.9227 | 0.9236 | 0.5528 | 0.5657 | 0.8211 |
| N-Acetyl-L-citrulline | 1.3947 | 1.7509 | 1.4845 | 0.3911 | 0.5658 | 0.5789 |
| N-Acetylproline | 0.9347 | 1.8796 | 0.0692 | 0.1112 | 0.9208 | 2.2670 |
| N-Acetylserine | 0.6966 | 0.7034 | 0.3677 | 0.2582 | 4.0504 | 0.2271 |
| N-Acetylthreonine | 2.0852 | 2.3166 | 0.3011 | 0.4056 | 0.7200 | 0.5043 |
| N-acetyl-trp | 0.9892 | 0.6422 | 0.8923 | 1.1727 | 2.0686 | 0.3847 |
| N-acetyl-tyr | 1.8200 | 1.8561 | 0.4823 | 0.5425 | 0.6087 | 0.8433 |
| N-carbamoyl-asp (Ureidosuccinic acid) | 0.6825 | 0.8904 | 0.3061 | 0.3020 | 3.4787 | 0.2084 |
| N-Carboxyethyl-g-aminobutyric acid | 2.5801 | 2.5224 | 0.0643 | 0.1930 | 0.7238 | 0.2486 |
| N-Decanoylglycine | 0.7544 | 0.9937 | 0.8049 | 0.9370 | 1.6657 | 0.9145 |
| Nelarabine | 2.2438 | 2.4081 | 0.4120 | 0.3784 | 0.1162 | 0.6488 |
| Neosolaspigenin isomer | 0.9122 | 0.7760 | 1.0397 | 1.1927 | 0.5664 | 1.8458 |
| Neuraminic acid | 2.1927 | 1.8685 | 0.1776 | 0.4230 | 0.9216 | 0.4167 |
| N-Formyl-L-aspartate | 1.7539 | 2.6650 | 0.3786 | 0.4208 | 0.6862 | 0.4035 |
| N-Formyl-L-methionine | 0.5241 | 0.4966 | 0.7276 | 0.4302 | 1.2638 | 2.5577 |
| N-Gluconyl ethanolamine isomer | 2.3764 | 2.5912 | 0.1625 | 0.2258 | 0.5876 | 0.2179 |
| N-Heptanoylglycine | 1.6049 | 0.6837 | 0.6608 | 0.6000 | 2.2634 | 0.4771 |
| Nicotinamide riboside | 1.8661 | 3.1615 | 0.2102 | 0.2640 | 0.2187 | 0.4624 |
| nicotinate | 1.0840 | 0.7283 | 0.4764 | 0.9833 | 1.0733 | 1.9827 |
| N-Lactoylleucine | 2.6951 | 3.2384 | 0.0385 | 0.0535 | 0.1676 | 0.1362 |
| N-Methyl-a-aminoisobutyric acid | 1.7836 | 2.7556 | 0.4098 | 0.3093 | 0.8811 | 0.1932 |
| N-Methylanthranilic acid | 1.9588 | 2.2409 | 0.4307 | 0.3680 | 0.3162 | 0.9754 |
| N-Methylanthranilic acid isomer | 2.6644 | 3.2760 | 0.0526 | 0.0615 | 0.1898 | 0.0825 |
| N-Nitroso-3-hydroxypyrrolidine | 1.4499 | 0.9422 | 0.4914 | 0.7449 | 1.5747 | 1.0883 |
| Norepinephrine | 2.0236 | 2.1033 | 0.3381 | 0.3784 | 0.4161 | 0.9958 |
| N-Propionylglycine | 1.2744 | 3.3778 | 0.3689 | 0.3290 | 0.8462 | 0.1360 |
| Oleandolide isomer | 1.7681 | 2.0191 | 0.5358 | 0.6079 | 0.5141 | 0.8641 |
| oleanolic acid 3-O-beta-D-glucosiduronic acid | 1.0156 | 1.3111 | 0.0287 | NA | 0.0111 | NA |
| O-Phospho-4-hydroxy-L-threonine | 0.6836 | 0.9363 | 0.9097 | 1.2315 | 0.5752 | 1.5929 |
| ophthalmic acid | 2.3129 | 3.2530 | 0.0896 | 0.1056 | 0.0974 | 0.1415 |
| O-Succinyl-L-homoserine | 2.4475 | 2.4309 | 0.2237 | 0.5147 | 0.2269 | 0.4881 |
| O-Succinyl-L-homoserine isomer | 2.2949 | 2.5458 | 0.3169 | 0.3348 | 0.3000 | 0.5371 |
| Oxalic acid | 1.1076 | 1.1700 | 1.0233 | 1.1261 | 0.8979 | 0.7880 |
| Oxoadipic acid isomer | 1.4693 | 1.9203 | 0.8199 | 0.8065 | 0.5331 | 0.7825 |
| p-Acetaminobenzaldehyde isomer | 2.5459 | 2.9956 | 0.2279 | 0.1872 | 0.1653 | 0.2057 |
| Palythinol isomer | 1.7243 | 2.0477 | 0.6239 | 0.3430 | 0.4778 | 0.9493 |
| p-aminobenzoate | 0.5656 | 0.6335 | 1.0053 | 1.0042 | 1.2981 | 1.8227 |
| Pantetheine | 0.8999 | 0.3648 | 0.4259 | 1.4130 | 1.1136 | 1.8528 |
| Pantothenic Acid | 1.8278 | 0.9790 | 0.2938 | 0.8643 | 0.8169 | 1.5515 |
| Pantothenic Acid isomer | 2.5882 | 2.7332 | 0.1780 | 0.1972 | 0.2189 | 0.4123 |
| PE(16:1/16:0) | 0.8652 | 1.1240 | 0.5840 | 0.4983 | 2.1215 | 0.7725 |
| PE(16:1/16:1) | 0.4328 | 0.4410 | 0.0858 | 0.5476 | 3.0727 | 0.4897 |
| PE(18:0/18:2) | 0.3097 | 0.1759 | 1.9538 | 0.7999 | 1.7830 | 0.5879 |
| PE(39:3) | 0.2409 | 0.1230 | 0.5738 | 1.0390 | 0.6147 | 2.1717 |
| PE(P-38:6) | NA | NA | 1.2901 | 0.4596 | 1.4821 | 0.3045 |
| Perfluorooctanesulfonic acid | 1.2332 | 1.2361 | 0.6378 | 0.6296 | 0.9782 | 1.2851 |
| PG(16:0/18:2) | 1.2344 | 1.6227 | 0.6224 | 0.5382 | 1.2028 | 0.7795 |
| PG(16:1/16:0) | 1.3044 | 1.7720 | 0.6442 | 0.6047 | 1.3321 | 0.3427 |
| PG(18:0/18:2) | 1.4172 | 1.3489 | 0.5402 | 0.6339 | 1.4002 | 0.6595 |
| PG(18:1/16:0) | 1.3282 | 1.5932 | 0.5957 | 0.6250 | 1.0307 | 0.8271 |
| PG(18:1/22:6) | 1.4538 | 2.3495 | 0.8357 | 0.5479 | 0.2881 | 0.5251 |
| PG(18:2/18:2) | 0.6723 | 1.0703 | 0.7576 | 0.8620 | 2.2307 | 0.4071 |
| PG(18:2/22:6) | 1.8975 | 2.9355 | 0.4927 | 0.2918 | 0.1296 | 0.2530 |
| PG (22:6/18:3) | 0.7554 | 1.3883 | 0.1378 | NA | NA | NA |
| Phenylacetic acid | 1.9193 | 1.3187 | 0.4338 | 0.7144 | 0.3225 | 1.6090 |
| phenylalanine | 1.4804 | 1.8396 | 0.5767 | 0.9849 | 0.8923 | 0.5589 |
| Phenylethanolamine | 0.8393 | 1.0196 | 0.5151 | 1.0807 | 1.0946 | 1.7803 |
| Phenyl glucuronide | 1.2702 | 1.3074 | 0.9302 | 1.2649 | 0.8565 | 0.6958 |
| Phenylpropionylglycine | 2.3948 | 1.6321 | 0.5770 | 0.5376 | 0.7149 | 0.4200 |
| phenylpyruvate | 1.3638 | 1.5593 | 0.8265 | 1.1466 | 0.7212 | 0.6339 |
| Phorbol isomer | 2.8343 | 2.9524 | 0.0633 | 0.0460 | 0.0456 | 0.0686 |
| p-hydroxyphenylacetylglycine isomer | 2.1951 | 2.4554 | 0.3412 | 0.5063 | 0.3107 | 0.5120 |
| phytosphingosine | 0.1464 | 0.1094 | 0.4518 | 1.6188 | 0.2190 | 3.9456 |
| PI(20:4/18:0) | 0.0994 | 0.0316 | 1.8188 | 0.6507 | 1.7537 | 0.0999 |
| PI(34:0) | 0.9879 | 0.4252 | 1.2170 | 1.2211 | 0.6013 | 1.5475 |
| Pimelic acid | 1.6469 | 0.9061 | 0.1064 | 0.1390 | 3.3295 | 0.2029 |
| Pipecolic acid isomer | 2.3274 | 2.0792 | 0.5320 | 0.3252 | 0.3366 | 0.7316 |
| Plumbagin | 2.5659 | 2.9597 | 0.2097 | 0.2295 | 0.1874 | 0.1700 |
| Podecdysone B isomer | 2.5293 | 2.5800 | 0.1904 | 0.1783 | 0.1779 | 0.5106 |
| Podophyllotoxone isomer | 0.8038 | 1.2442 | 0.5387 | 0.4870 | 0.3464 | 2.4383 |
| Pregnenolone acetate isomer | NA | NA | 0.8910 | 0.9338 | 0.6091 | 1.5661 |
| Pro-Asn isomer | 1.7282 | 2.2049 | 1.0668 | 0.2915 | 0.4264 | 0.2959 |
| Pro-Glu | 2.7968 | 3.1995 | 0.0785 | 0.0797 | 0.0743 | 0.1039 |
| proline | 1.6635 | 1.8924 | 0.3316 | 0.5263 | 0.8954 | 1.0240 |
| Propenoyl carnitine C3:1 | 1.5970 | 1.3296 | 0.7525 | 0.9133 | 0.7582 | 0.9667 |
| propenoyl carnitine isomer 2 | 2.3145 | 3.1366 | 0.1365 | 0.2021 | 0.2758 | 0.2378 |
| Propionyl-L-carnitine isomer 1 | 2.3724 | 2.8104 | 0.1775 | 0.2389 | 0.1858 | 0.5153 |
| prostaglandin E2 | 1.3826 | 1.7169 | 0.6503 | 0.9156 | 0.5775 | 1.1016 |
| Prostaglandin E3 isomer 1 | 1.3283 | 1.4484 | 0.8627 | 0.8352 | 0.6017 | 1.2478 |
| Pro-Tyr | 1.8387 | 2.1026 | 0.5903 | 0.6594 | 0.4505 | 0.6178 |
| Pterine | 1.0439 | 1.0657 | 0.4633 | 1.2755 | 1.4067 | 0.7450 |
| Pubescenol isomer | 2.2665 | 2.2732 | 0.4090 | 0.4729 | 0.3319 | 0.5787 |
| Pyridoxamine isomer | 1.6210 | 2.2727 | 0.4619 | 0.7205 | 0.3678 | 0.8708 |
| pyridoxine | 0.6885 | 1.1651 | 0.6920 | 0.4869 | 0.6130 | 2.6731 |
| Pyroglutamic acid | 1.1819 | 1.5440 | 0.5734 | 0.6614 | 1.8773 | 0.4800 |
| Pyruvaldehyde | 0.7125 | 0.8182 | 0.8696 | 1.0844 | 0.8164 | 1.8655 |
| pyruvate | 2.0768 | 2.0965 | 0.3984 | 0.4082 | 0.7834 | 0.5032 |
| Quadrone | 1.4550 | 1.7556 | 0.8207 | 0.6497 | 0.5317 | 0.8283 |
| Quinaldic acid | 2.3744 | 2.1473 | 0.4824 | 0.3731 | 0.3256 | 0.4117 |
| quinolinate | 2.0654 | 2.6912 | 0.3195 | 0.4076 | 0.4598 | 0.3860 |
| (R)-(+)-2-Pyrrolidone-5-carboxylic acid | 1.4198 | 1.4706 | 0.5475 | 0.6314 | 1.7916 | 0.4579 |
| Raffinose | 1.8859 | 1.3192 | 0.2526 | 0.5186 | 0.7459 | 1.6107 |
| Retinol isomer | 0.3810 | 0.5123 | 0.8451 | 0.8864 | 1.9502 | 0.7904 |
| Ribose | 0.8361 | 0.6342 | 1.0532 | 1.4444 | 1.7703 | 0.5929 |
| ribose isomer 2 | 1.0484 | 0.8350 | 0.9772 | 1.4002 | 1.5367 | 0.5344 |
| Ribothymidine | 2.0658 | 2.4360 | 0.3711 | 0.3363 | 0.3372 | 0.7848 |
| Ribothymidine isomer | 0.4774 | 0.5121 | 0.1758 | 0.4501 | 3.7548 | 0.6297 |
| Rubrosterone isomer | 3.0229 | 3.2709 | 0.0105 | 0.0086 | 0.0101 | 0.0093 |
| Salsolinol isomer | 2.0230 | 2.3723 | 0.3585 | 0.4773 | 0.3631 | 0.4908 |
| Salvigenin isomer | 2.1257 | 1.9141 | 0.5274 | 0.4433 | 0.5772 | 0.6746 |
| Sebacic acid | 1.7730 | 2.2219 | 0.5479 | 0.5307 | 0.5081 | 0.6311 |
| Sepiapterin | 1.1493 | 0.4417 | 1.2838 | 1.3484 | 1.8786 | 0.2271 |
| serine | 1.5601 | 1.2292 | 0.5677 | 0.6730 | 1.6180 | 0.6839 |
| Ser Thr Glu isomer | 1.5961 | 1.4933 | 0.4993 | 0.7350 | 0.7268 | 0.9495 |
| (S)-N-(4-5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine | 2.9046 | 3.0655 | 0.0069 | 0.0064 | 0.0048 | 0.0118 |
| sn-glycero-3-phospho-1-Inositol | 1.2120 | 1.0849 | 1.5859 | 0.9628 | 0.5348 | 0.6196 |
| sorbitol | 1.7092 | 1.6879 | 0.4925 | 0.5533 | 1.2710 | 0.6186 |
| sphingosine(d18:1) | 0.0643 | 0.0450 | 0.5130 | 1.7532 | 0.4487 | 3.1759 |
| Stoloniferone C isomer | 0.1917 | 0.1469 | 0.9299 | 1.6696 | 1.1698 | 1.8920 |
| Suberyl Glycine | 1.2352 | 1.1784 | 0.9684 | 0.4816 | 1.4408 | 1.0232 |
| Suberylglycine isomer | 2.2974 | 3.6045 | 0.0549 | 0.1059 | 0.1398 | 0.1163 |
| succinate | 0.2969 | 0.4731 | 0.2404 | 0.6129 | 4.6520 | 0.0561 |
| sulfate | 0.8377 | 0.9862 | 1.0932 | 1.8608 | 0.7993 | 0.6369 |
| Sulfoglycolithocholate | 0.2128 | 0.2982 | 2.2375 | 1.1908 | 1.0185 | 1.0422 |
| Sulfoglycolithocholate isomer | 0.2201 | 0.3065 | 2.2864 | 1.2302 | 1.0434 | 1.0801 |
| Sulfoglycolithocholate isomer 2 | 0.5363 | 0.5754 | 0.8952 | 1.2647 | 0.7984 | 1.9300 |
| Synephrine | 2.6384 | 2.4825 | 0.2299 | 0.2308 | 0.2777 | 0.4489 |
| taurine | 1.3649 | 1.7321 | 0.6847 | 0.6832 | 1.3186 | 0.5498 |
| Taurocholic acid | 0.6388 | 0.5762 | 1.4845 | 1.2130 | 0.5337 | 1.5538 |
| Taurocholic acid isomer | 0.2976 | 0.2862 | 2.9367 | 1.1359 | 0.3634 | 1.1468 |
| Taurodehydrocholic acid | 0.2021 | 0.1666 | 0.8905 | 1.1847 | 1.6988 | 1.5913 |
| Taurodeoxycholic acid | 0.4384 | 0.4449 | 2.8355 | 1.1694 | 0.6167 | 0.4952 |
| Taurolithocholic acid | 0.8919 | 0.9771 | 1.5486 | 1.2084 | 0.5452 | 0.8288 |
| tetradecenoylcarnitine isomer 1 | 0.2446 | 0.2255 | 0.6488 | 1.0053 | 0.9068 | 2.9690 |
| Tetrahydrocortisone | 0.6135 | 0.6593 | 0.8746 | 1.3201 | 1.5583 | 1.1406 |
| threonine | 1.8590 | 1.4481 | 0.2501 | 0.5636 | 1.3505 | 0.8599 |
| Thr-Ser | 1.4504 | 1.3572 | 0.8746 | 0.5778 | 1.2009 | 0.8587 |
| thymidine | 1.0220 | 0.8321 | 0.3825 | 0.9547 | 1.0550 | 2.0870 |
| Tiglic acid | 0.6897 | 0.7533 | 0.8137 | 0.9888 | 0.8978 | 2.1490 |
| trans-4-Hydroxycyclohexylacetic acid | 0.9823 | 0.9472 | 0.9708 | 1.0227 | 0.9348 | 1.2155 |
| trans-Cinnamate | 1.5403 | 1.9193 | 0.5552 | 0.9887 | 0.8491 | 0.4777 |
| Traumatic Acid | 1.6138 | 1.8133 | 0.7041 | 0.6519 | 0.7691 | 0.7418 |
| trehalose-6-Phosphate | 1.5730 | 1.5996 | 0.3170 | 0.1642 | 0.8565 | 1.4895 |
| Tricarballylic acid | 2.0550 | 1.8390 | 0.4521 | 0.5281 | 1.0723 | 0.3150 |
| Tridecanoic acid | 0.6600 | 0.4131 | 0.9313 | 1.2994 | 1.5307 | 1.4379 |
| Trihydroxycoprostanoic acid | 1.2168 | 1.2791 | 0.7423 | 0.9144 | 0.7873 | 1.3900 |
| tryptophan | 2.1587 | 2.4793 | 0.2369 | 0.2268 | 0.3906 | 0.8407 |
| Tuberonic acid isomer | 1.9305 | 2.5917 | 0.9011 | 0.3434 | 0.2796 | 0.2337 |
| tyrosine | 3.4174 | 2.6884 | 0.0285 | 0.0485 | 0.0328 | 0.1171 |
| Tyrosol 4-sulfate | 2.0515 | 2.8308 | 0.2051 | 0.3164 | 0.2286 | 0.7001 |
| UDP-D-glucose | 1.1717 | 0.3389 | 0.1923 | 0.8613 | 3.2500 | 0.1857 |
| UDP-glucosamine | 0.2155 | 0.2688 | 0.0791 | 0.2330 | 5.0255 | 0.0246 |
| UDP-N-acetyl-glucosamine | 1.1852 | 0.6514 | 0.5194 | 1.3014 | 2.1311 | 0.2115 |
| UMP | 2.5146 | 1.5018 | 0.1472 | 0.3965 | 1.5179 | 0.2374 |
| uracil | 1.0711 | 0.8157 | 0.5220 | 1.0716 | 1.2382 | 1.6135 |
| uridine | 1.1863 | 0.9269 | 0.4175 | 0.8959 | 1.1311 | 1.7756 |
| Urocanic acid | 1.0510 | 1.0205 | 1.2085 | 1.1343 | 0.6281 | 1.2704 |
| Valeric acid | 1.3644 | 1.0676 | 0.6961 | 0.8960 | 0.8090 | 1.4984 |
| VaL-Gly | 1.7977 | 1.4860 | 0.8919 | 0.7348 | 0.8148 | 0.4409 |
| valine | 1.6834 | 1.2751 | 0.6118 | 0.7909 | 1.1639 | 0.8077 |
| Val-Ser isomer | 1.8362 | 1.9518 | 0.6115 | 0.5431 | 0.5372 | 0.6842 |
| Vanilloylglycine | 1.8665 | 2.0762 | 0.5962 | 0.6609 | 0.4304 | 0.7014 |
| xanthine | 1.5356 | 0.8292 | 0.1763 | 1.0141 | 2.4214 | 0.1894 |
| xanthosine | 1.2684 | 0.6615 | 0.6015 | 1.0708 | 1.2204 | 1.1775 |
Factors:
| F1 | Sample source:Feces | Diet:Chow | Treatment:anti-PD-1 |
| F2 | Sample source:Feces | Diet:Chow | Treatment:isotype control |
| F3 | Sample source:Feces | Diet:HC_In0 | Treatment:anti-PD-1 |
| F4 | Sample source:Feces | Diet:HC_In1.9 | Treatment:anti-PD-1 |
| F5 | Sample source:Feces | Diet:HC_In8 | Treatment:anti-PD-1 |
| F6 | Sample source:Feces | Diet:LC_In0 | Treatment:anti-PD-1 |