Data for (Study ST003565)
(Analysis AN005858)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 |
|---|---|---|---|---|
| "11,12,13-TriHOME" | 1.0078 | 0.9206 | 0.9209 | 1.1507 |
| "11,14,17-Eicosatrienoic acid" | 0.9446 | 1.1145 | 0.9437 | 1.0157 |
| 1-[18-hydroxyoeoyl]-2-[18-hydroxy-linoleoyl]-sn-glycerol | 1.3817 | 0.8090 | 0.8421 | 0.8400 |
| "1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone" | 0.5196 | 1.3377 | 0.8164 | 1.4865 |
| "1,2-dibutyrin" | 0.9950 | 0.8590 | 0.9002 | 1.2474 |
| 1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine | 0.9205 | 0.9449 | 1.0719 | 1.0891 |
| 1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserine | 0.8385 | 0.9528 | 1.1914 | 1.0712 |
| 13-cis-Retinal | 1.0143 | 0.9678 | 0.9469 | 1.0662 |
| 14^-apo-beta-Carotenal | 0.9322 | 1.0495 | 0.9578 | 1.0832 |
| 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone | 1.0717 | 0.9461 | 1.0057 | 0.9527 |
| 1-Arachidonoylglycerophosphoinositol | 0.6751 | 1.3090 | 0.9736 | 1.1506 |
| 1-Deoxy-D-altro-heptulose 7-phosphate | 1.6654 | 0.6750 | 0.7905 | 0.6472 |
| 1-Oleoylglycerophosphoserine | 0.3154 | 1.4353 | 1.0516 | 1.4259 |
| 1-Oleylglycerol | 0.9439 | 1.1625 | 1.0622 | 0.8501 |
| 1-Palmitoylglycerophosphoinositol | 1.1424 | 0.8144 | 1.1889 | 0.8068 |
| "(1R*,3R*,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid" | 0.8886 | 0.9712 | 1.1082 | 1.0692 |
| 1-(sn-Glycero-3-phospho)-myo-inositol | 1.0837 | 1.1003 | 0.8293 | 0.9588 |
| 1-Stearoylglycerophosphoglycerol | 1.1474 | 0.8709 | 1.0663 | 0.8663 |
| 1-Stearoylglycerophosphoinositol | 1.2656 | 0.8699 | 0.9923 | 0.7837 |
| 1-Stearoylglycerophosphoserine | 0.8533 | 1.1359 | 0.9857 | 1.0741 |
| 1-thio-beta-D-glucose | 1.4496 | 0.7330 | 0.9617 | 0.7058 |
| "2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene" | 0.8159 | 1.0884 | 1.0061 | 1.0897 |
| "2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid" | 1.2859 | 0.7552 | 1.1844 | 0.6793 |
| "2,3,5-Trihydroxytoluene" | 1.2077 | 0.9027 | 0.9674 | 0.8529 |
| "2,3,6-Trihydroxypyridine" | 0.9245 | 0.9527 | 0.9923 | 1.1556 |
| "2,3-Diaminosalicylic acid" | 0.9340 | 0.9776 | 1.0650 | 1.0454 |
| "2,3-Dihydroxycyclopentaneundecanoic acid" | 0.9168 | 1.0720 | 1.1271 | 0.9118 |
| "2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehyde" | 1.2937 | NA | 0.6084 | NA |
| "2,5,6-Trihydroxy-5,6-dihydroquinoline" | 1.1144 | 0.9763 | 0.9771 | 0.8940 |
| "2,5-Dimethyl-1H-pyrrole" | 1.1353 | 0.9316 | 0.9384 | 0.9496 |
| "2,5-Dioxopentanoate" | 1.0541 | 0.9899 | 1.0033 | 0.9345 |
| "2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutanedioic acid" | 0.5090 | 1.5835 | 0.5521 | 1.1918 |
| "2,6-Dihydroxy-N-methylmyosmine" | 1.2097 | 0.7770 | 1.2791 | 0.6643 |
| "2,7-Anhydro-alpha-N-acetylneuraminic acid" | 0.9536 | 1.0452 | 0.9943 | 1.0225 |
| 2-Aceto-2-hydroxybutanoic acid | 0.9443 | 1.1360 | 0.9297 | 1.0085 |
| 2-Acetolactate | 0.7889 | 1.1180 | 0.8799 | 1.2836 |
| "2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3" | 0.9290 | 1.0850 | 1.0368 | 0.9730 |
| 2-amino-2-deoxy-isochorismate | 0.9562 | 1.0312 | 0.9669 | 1.0603 |
| 2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid | 1.2711 | 0.8111 | 0.9730 | 0.8544 |
| "2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate" | 0.9719 | 1.0190 | 0.9848 | 1.0337 |
| 2-Amino-3-carboxymuconic acid semialdehyde | 1.3687 | 0.7987 | 1.0563 | 0.6534 |
| "2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-2-pentyl-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid" | NA | 0.8865 | 0.0349 | 1.4352 |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-hydroxy-2-methoxy-1-(7-methyl-2-oxo-2H-chromen-6-yl)ethyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid | 1.3951 | NA | 0.4732 | NA |
| "2-amino-4-[(2-{[1-carboxy-2-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]sulfanyl}-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl)-C-hydroxycarbonimidoyl]butanoic acid" | 1.5955 | 0.5085 | 1.0519 | 0.4684 |
| 2-Amino-4-methylenepentanedioic acid | 1.3334 | 0.7014 | 1.1170 | 0.7371 |
| 2-amino-4-methylphenol | 1.0837 | 0.9662 | 0.9923 | 0.9300 |
| 2-Aminomuconic acid | 1.1731 | 0.9248 | 1.0472 | 0.7971 |
| 2-chloro-2-iodoacetamide | 0.9488 | 0.9375 | 1.0950 | 1.0358 |
| "2-C-methyl-D-erythritol-2,4-cyclodiphosphate" | 2.1293 | 0.3126 | 0.8891 | 0.2927 |
| 2-C-Methyl-D-erythritol 4-phosphate | 0.0338 | 2.0253 | 0.3752 | 1.8878 |
| 2-Decarboxyphyllocactin | 1.2766 | 0.7535 | 0.9959 | 0.8817 |
| 2-Dehydro-3-deoxy-D-glucarate | 1.0660 | 0.9202 | 0.9076 | 1.0841 |
| "2-Deoxy-2,3-dehydro-N-acetylneuraminic acid" | 0.9121 | 1.0435 | 1.0088 | 1.0648 |
| 2^-Deoxy-5-hydroxymethylcytidine-5^-diphosphate | 1.3360 | 0.5919 | 0.6881 | NA |
| 2-Ethylhexanoic acid | 1.0436 | 0.7581 | 1.0439 | 1.1399 |
| "2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid" | 1.1798 | 0.8104 | 1.0219 | 0.9280 |
| "(2-hydroxy-2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propoxy)sulfonic acid" | 2.1558 | 0.1657 | 1.1415 | 0.1517 |
| "2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}acetic acid" | 1.0597 | 0.9943 | 0.9465 | 0.9796 |
| 2-Hydroxydecanoate | 0.9339 | 1.0527 | 1.1011 | 0.9343 |
| 2-Hydroxyethanesulfonate | 0.9641 | 1.0374 | 1.0514 | 0.9589 |
| (2-hydroxyethoxy)sulfonic acid | 1.0914 | 0.9789 | 0.8971 | 1.0021 |
| 2-Hydroxyhexadecanoic acid | 1.0329 | 1.0100 | 0.9849 | 0.9611 |
| 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate | 1.2646 | 0.7540 | 1.0008 | 0.8924 |
| 2-Hydroxymyristic acid | 1.0217 | 1.0675 | 0.9458 | 0.9579 |
| 2-hydroxynonanoic acid | 1.1580 | 1.0248 | 0.9178 | 0.8468 |
| 2^-hydroxypyridoxol | 1.1434 | 0.9596 | 0.9788 | 0.8705 |
| 2-Hydroxystearic acid | 1.0284 | 0.9593 | 0.9598 | 1.0430 |
| 2-hydroxytridecanoate | 1.2476 | 0.7896 | 0.9015 | 0.9787 |
| 2-Hydroxyundecanoate | 1.2621 | 0.8327 | 0.8730 | 0.9448 |
| 2-Keto-glutaramic acid | 1.0044 | 1.0293 | 1.0359 | 0.9289 |
| 2-Methylhexanoic acid | 1.0039 | 0.7672 | 1.0728 | 1.1548 |
| 2-Octenedioic acid | 0.9793 | 1.0065 | 0.9985 | 1.0227 |
| 2-oxobut-3-enanoate | 1.1555 | 0.7462 | 1.2232 | 0.8232 |
| 2-oxopropane sulfonate | 1.0947 | 0.9197 | 0.9796 | 0.9746 |
| "(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate" | 1.0182 | 1.0038 | 0.9701 | 1.0019 |
| "2-trans,6-trans-Farnesal" | 1.3477 | 0.6728 | 1.0400 | 0.8235 |
| "(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol" | 1.0218 | 0.8264 | 1.1268 | 1.0178 |
| "3^-(2^^,3^^-Digalloylglucosyl)-phloroacetophenone" | 1.3186 | NA | 0.3627 | NA |
| "3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]prop-2-enimidic acid" | 2.0382 | 0.3035 | 1.0145 | 0.2978 |
| "3,3^-Thiobispropanoic acid" | 1.2292 | 0.8030 | 1.1136 | 0.7779 |
| "3,4,5-trihydroxy-6-(2-{5-hydroxy-8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl}phenoxy)oxane-2-carboxylic acid" | 1.0177 | 0.8733 | 1.1626 | 0.9406 |
| "3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-carboxylic acid" | 0.7396 | 1.0796 | 1.1123 | 1.1554 |
| "3,4,5-trihydroxy-6-{4-[-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid" | 0.5353 | 1.5926 | 0.7187 | 1.3082 |
| "3,4-Dihydroxybenzylamine" | 1.1953 | 0.8935 | 1.0158 | 0.8303 |
| "3,5-Di-O-galloyl-1,4-galactarolactone" | 2.4051 | 0.4045 | 0.4267 | 0.2954 |
| "{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl}oxidanesulfonic acid" | 1.1826 | 1.0564 | 0.9024 | 0.7978 |
| "3,7-Dimethyl-8,11-dioxo-dodecatrienal" | 1.1063 | 0.9153 | 1.1100 | 0.8331 |
| "3,7-Dimethyl-decadien-1,10-dioic acid" | 0.7292 | 1.1118 | 0.7960 | 1.4532 |
| "3a,7a-Dihydroxycholanoic acid" | 1.6075 | 0.5666 | 1.1027 | 0.5207 |
| "3a,7b,12a-Trihydroxyoxocholanyl-Glycine" | 1.3950 | 0.7059 | 1.0971 | 0.6704 |
| "3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate" | 1.6527 | 0.5180 | 1.1136 | 0.4982 |
| 3-Amino-2-piperidone | 1.3426 | NA | 0.5432 | NA |
| "3-carboxy-2,3-dihydroxypropanoate" | 1.0570 | 0.9487 | 1.0067 | 0.9687 |
| 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid | 0.7263 | 1.2203 | 0.7604 | 1.3842 |
| 3-carboxy-6-(methylsulfanyl)-2-oxohexanoate | 0.4621 | 0.9240 | 1.8331 | 0.9602 |
| 3-Dehydro-L-threonate | 1.2667 | 0.8709 | 0.9957 | 0.7778 |
| 3-Ethylmalate | 0.9818 | 1.0469 | 1.0021 | 0.9753 |
| "3-Glucosyl-2,3^,4,4^,6-pentahydroxybenzophenone" | 0.8231 | 1.0898 | 0.9916 | 1.1545 |
| "3-Hydroxy-2-methylpyridine-4,5-dicarboxylate" | 0.5527 | 1.3537 | 0.7940 | 1.4487 |
| 3-Hydroxyanthranilic acid | 1.2209 | 1.0284 | 0.9124 | 0.7647 |
| 3-hydroxypalmitic acid methyl ester | 1.0437 | 1.0467 | 0.7946 | 1.1004 |
| 3-Isopropenyl-6-oxoheptanoate | 0.9670 | 0.9246 | 1.0166 | 1.1027 |
| 3-ketothreonate | 1.2329 | 0.8471 | 1.0209 | 0.8215 |
| 3-Mercaptolactic acid | 0.9925 | 0.9949 | 1.1361 | 0.8790 |
| 3-Methylbutyl glucosinolate | 1.3810 | NA | 0.4921 | NA |
| 3-Oxododecanoic acid | 1.1092 | 0.9590 | 0.9710 | 0.9244 |
| 3-Oxotetradecanoic acid | 1.0479 | 1.0248 | 0.9863 | 0.9251 |
| 3-Phosphoglyceric acid | 0.8979 | 1.1700 | 0.6978 | 1.2684 |
| 3-Propylmalate | 1.0132 | 1.0379 | 1.0173 | 0.9272 |
| 3-Succinoylpyridine | 1.0709 | 0.8493 | 1.0588 | 0.9974 |
| "4,5-Dihydroorotic acid" | 2.2979 | 0.3006 | 0.5873 | 0.3816 |
| "4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dioxatricyclo[7.3.1.0,]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium" | 1.2171 | 1.0057 | 0.8630 | 0.8418 |
| 4-Amino-4-deoxychorismate | 1.0855 | 0.9767 | 0.9649 | 0.9445 |
| 4-Coumaryl alcohol | 0.8691 | 0.8592 | 0.8815 | 1.4338 |
| 4-Heptyloxyphenol | 0.9976 | 1.0176 | 1.0692 | 0.9164 |
| 4-Hydroxybenzoic acid | 1.1994 | 0.8950 | 0.7181 | 1.1210 |
| 4-Hydroxyhexan-3-one | 0.9228 | 0.9015 | 1.0212 | 1.1802 |
| 4-Hydroxyphenylacetaldehyde-oxime | 1.3640 | 0.8821 | 1.0723 | 0.5603 |
| 4-hydroxy-tridecanoic acid | 0.9699 | 0.9641 | 0.9402 | 1.1358 |
| 4-Methoxyglucobrassicin | 1.6843 | 0.2732 | 0.5434 | 0.3594 |
| 4-methylumbelliferyl-beta-D-cellobioside | 1.0919 | 0.9439 | 1.0682 | 0.8654 |
| 4-O-beta-D-glucosyl-indol-3-yl formamide | 1.4407 | 0.6823 | 1.1279 | 0.6023 |
| 4-Octylphenol | 1.0580 | 0.9771 | 0.9780 | 0.9676 |
| 4^-Phosphopantothenate | 1.9857 | 0.5336 | 0.6477 | 0.5045 |
| 4-Pyridoxic acid | 1.2558 | 0.8759 | 0.9653 | 0.8177 |
| 4-toluenecarboxylate-adenylate | 0.8912 | 1.0913 | 0.9490 | 1.1047 |
| "5-(2^-Formylethyl)-4,6-dihydroxypicolinate" | 0.7654 | 1.0546 | 1.3761 | 0.8822 |
| 5-Acetamidovalerate | 1.2881 | 0.8180 | 1.1406 | 0.6572 |
| 5-Aminolevulinic acid | 0.7621 | 1.1893 | 0.9975 | 1.1304 |
| 5beta-Cyprinolsulfate | 1.0009 | 1.0342 | 1.0371 | 0.9276 |
| 5-Dehydro-4-deoxy-D-glucarate | 1.1221 | 0.8780 | 0.9551 | 1.0041 |
| 5^-dehydrouridine | 1.2163 | NA | 0.1348 | NA |
| 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid | 0.8256 | 1.0044 | 0.9880 | 1.2402 |
| "5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate" | 0.9809 | 0.9151 | 0.9305 | 1.1799 |
| 5-Methyldeoxycytidine diphosphate | 1.1557 | 0.9030 | 1.0209 | 0.8685 |
| 5-methyl-tetradecanedioic acid | 0.8633 | 1.2020 | 0.9735 | 1.0068 |
| "5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone" | 0.7980 | 1.1304 | 0.9963 | 1.1426 |
| 5-Thymidylic acid | 1.3334 | 0.7230 | 1.1158 | 0.7167 |
| (+/-)-6-Acetonyldihydrochelerythrine | 1.3787 | 0.7648 | 1.0572 | 0.5946 |
| 6-formylpterin | 0.7154 | 1.2445 | 0.6754 | 1.4595 |
| 6^^-O-Malonylwistin | 1.2179 | NA | 0.7094 | NA |
| 6-Phosphogluconic acid | 1.0171 | 1.1262 | 0.7536 | 1.0974 |
| 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate | NA | 1.4885 | 0.1389 | 1.0856 |
| "8,13-Abietadien-18-oic acid" | 0.8750 | 1.1126 | 0.9881 | 1.0660 |
| 8-Amino-7-oxononanoate | 1.0654 | 0.5217 | 1.9797 | 0.4115 |
| "8-chloro-6-O-(6""-O-malonyl)-beta-D-glucoside-2-(2-phenylethyl)chromone" | 1.1163 | 0.9162 | 1.1770 | 0.7517 |
| 9-Oxo-nonanoic acid | 0.9496 | 1.1083 | 0.9978 | 0.9611 |
| "a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside" | 1.6762 | 0.5708 | 1.0089 | 0.5186 |
| Acetoacetic acid | 0.9041 | 1.0594 | 0.9781 | 1.0903 |
| Acetohydroxamic Acid | 0.8453 | 0.4076 | 1.4638 | 1.3349 |
| Acetone cyanohydrin | 0.9911 | 1.0379 | 1.0734 | 0.9006 |
| acetylglutathione | 0.9403 | 1.1311 | 0.7480 | 1.2004 |
| Acetylphosphate | 1.5877 | 0.7284 | 0.7455 | 0.7425 |
| Adenosine diphosphate ribose | 1.2106 | 0.8376 | 1.0589 | 0.8226 |
| Adlupone | 1.1379 | 0.7575 | 1.1176 | 0.9411 |
| Adrenic acid | 0.9591 | 1.0618 | 0.9816 | 1.0111 |
| Adrenochrome | 0.9213 | 1.1107 | 0.9937 | 1.0005 |
| Ala/Ala/Asp/Tyr | 2.1309 | 0.2554 | 0.9907 | 0.2460 |
| Ala/Ala/Cys | 0.6292 | 1.2759 | 0.9697 | 1.2488 |
| Ala/Arg/Arg/Tyr/Tyr | 1.2038 | 0.9172 | 1.0403 | 0.7707 |
| Ala/Asn/Pro/Arg/Trp | 1.3120 | 0.7159 | 1.0243 | 0.8438 |
| Ala/Asp/Asp/Asn/Pro | 1.0395 | 0.8842 | 1.1309 | 0.9323 |
| Ala/Asp/Asp/Pro | 1.3062 | 0.9326 | 0.7693 | 0.8012 |
| Ala/Asp/Glu/Lys/Thr | 0.7553 | 1.0738 | 1.0643 | 1.1883 |
| Ala/Asp/Glu/Lys/Tyr | 1.3423 | NA | 0.5436 | NA |
| Ala/Asp/Glu/Met/Gln | 1.2379 | 0.6936 | 1.0866 | 0.9026 |
| Ala/Asp/Gly | 1.7536 | 0.5132 | 0.9702 | 0.5118 |
| Ala/Asp/Gly/Tyr | 1.2547 | 0.7527 | 1.2357 | 0.6720 |
| Ala/Asp/Met/Arg/Thr | 1.2316 | 0.8158 | 1.1111 | 0.7643 |
| Ala/Asp/Phe/Ile/Arg | 0.7499 | 1.1056 | 1.0960 | 1.1320 |
| Ala/Asp/Phe/Lys/Lys | 1.2594 | 0.7523 | 1.1357 | 0.7661 |
| Ala/Asp/Ser/Ser/Thr | 1.2018 | 0.7974 | 1.1479 | 0.7856 |
| Ala/Cys/Asp/Asn/Trp | 0.8719 | 1.0565 | 1.0505 | 1.0637 |
| Ala/Cys/Asp/Asp/Tyr | 0.9985 | 0.7957 | 1.4581 | 0.7481 |
| Ala/Cys/Asp/Glu | 1.4687 | 0.6034 | 1.1238 | 0.6479 |
| Ala/Cys/Asp/Glu/Pro | 0.9740 | 1.1439 | 1.0419 | 0.8489 |
| Ala/Cys/Asp/His/Arg | 1.8484 | 0.3708 | 1.0975 | 0.4006 |
| Ala/Cys/Asp/Lys/Ser | 1.1414 | NA | 0.8115 | NA |
| Ala/Cys/Asp/Met/Met | 1.6980 | 0.4746 | 1.1168 | 0.4779 |
| Ala/Cys/Asp/Ser/Trp | 0.7297 | 1.1270 | 1.1265 | 1.1069 |
| Ala/Cys/Cys/Asn/Tyr | 1.5046 | 0.6548 | 1.0130 | 0.6595 |
| Ala/Cys/Cys/Asp/His | 2.2612 | 0.2977 | 0.7443 | 0.2764 |
| Ala/Cys/Cys/Met/Met | 0.7793 | 1.2999 | 0.8902 | 1.1042 |
| Ala/Cys/Gln/Tyr | 1.1107 | 0.9212 | 1.0112 | 0.9201 |
| Ala/Cys/Glu/Met/Met | 1.3269 | NA | 0.8342 | 0.1897 |
| Ala/Cys/His/Ser/Trp | 0.7191 | 0.9594 | 0.8433 | 1.5718 |
| Ala/Cys/Thr/Thr/Thr | 1.0988 | 0.8942 | 1.1525 | 0.8216 |
| Ala/Gln/Tyr/Tyr/Tyr | 0.7006 | 1.0979 | 1.1602 | 1.1412 |
| Ala/Glu/Ala/Glu | 1.6830 | 0.4470 | 1.1843 | 0.4580 |
| Ala/Glu/Glu/Gln/Gln | 0.8239 | 1.2209 | 1.0110 | 1.0029 |
| Ala/Glu/Glu/Tyr | 1.7725 | 0.5640 | 0.8247 | 0.5812 |
| Ala/Glu/Ile/Thr | 1.8740 | 0.3855 | 1.0414 | 0.4077 |
| Ala/Glu/Pro | 1.3280 | 0.7148 | 1.1068 | 0.7411 |
| Ala/Gly | 2.0932 | 0.3028 | 0.9306 | 0.3090 |
| Ala/Gly/Tyr | 1.6644 | 0.5088 | 1.1154 | 0.4899 |
| Ala/Ile/Arg/Thr/Tyr | 1.3519 | NA | 0.5308 | NA |
| Ala/Ile/Ile/Gln/Val | 0.8254 | 1.1326 | 1.0546 | 1.0455 |
| Ala/Ile/Met/Asn/Arg | 1.3747 | 0.7071 | 1.2522 | 0.5411 |
| Ala/Leu/Asn/Gly | 2.0966 | 0.0692 | 0.7765 | 0.0728 |
| Ala/Leu/Asp/Gly | 1.8477 | 0.3302 | 1.1776 | 0.3620 |
| Ala/Leu/Thr/Ser | 1.3678 | 0.6941 | 1.1330 | 0.6825 |
| Ala/Lys/Asp/Pro | 1.2314 | NA | 0.6915 | NA |
| Ala/Lys/Ser/Ser/Trp | 1.3886 | NA | 0.4818 | NA |
| Ala/Met/Gln/Ser | 0.9062 | 1.1322 | 0.9929 | 1.0000 |
| Ala/Met/Met/Met | 1.2255 | 0.8735 | 0.8718 | 0.9540 |
| Ala/Phe/Met/Pro/Arg | 0.8738 | 1.1496 | 0.9269 | 1.0918 |
| Ala/Ser | 2.1653 | 0.2152 | 1.0145 | 0.2166 |
| Ala/Ser/Ser/Ser/Thr | 0.9892 | 1.0312 | 0.9780 | 1.0053 |
| Ala/Thr/Thr/Ala | 1.1527 | 0.8465 | 1.1018 | 0.8481 |
| Ala/Thr/Val/Ser | 1.6260 | 0.4691 | 1.2452 | 0.4509 |
| Ala/Val/Asp/Asp | 1.4615 | 0.5172 | 1.2703 | 0.5972 |
| Ala/Val/Asp/Ser | 1.5176 | 0.5689 | 1.1491 | 0.5919 |
| Albomaculine | 1.0881 | 0.9814 | 1.0065 | 0.8946 |
| aldehydo-octose 8-phosphate | 1.1273 | 1.0489 | 1.0266 | 0.7548 |
| "alpha,alpha^-Diethyl-4,4^-bis(2-propynyloxy)stilbene" | 1.3279 | 0.7808 | 1.1329 | 0.6492 |
| alpha-glutamyl-L-hydroxyproline | 1.4217 | 0.6394 | 1.1375 | 0.6608 |
| alpha-Irone | 1.3529 | 0.7571 | 1.1485 | 0.6239 |
| Alpha-Ketooctanoic acid | 1.1487 | 0.7868 | 1.1227 | 0.8923 |
| Alpha-Linolenic acid | 1.1230 | 0.9541 | 0.9894 | 0.8925 |
| Amidosulfonic acid | 1.0685 | 0.9328 | 1.0249 | 0.9510 |
| ancymidol | 1.0589 | 0.9113 | 0.9678 | 1.0423 |
| Anisatin | 0.9060 | 1.1453 | 0.9843 | 0.9956 |
| Apiole | 0.9729 | 1.0012 | 1.0140 | 1.0210 |
| apo-14^-zeta-carotenal | 1.0648 | 1.0137 | 0.9049 | 0.9949 |
| a polyisoprenyl-major wall teichoic acid (B. subtilis 168) | 1.2820 | 0.7779 | 1.0621 | 0.7840 |
| Arabinonate | 0.8788 | 1.1681 | 0.9384 | 1.0550 |
| Arachidic acid | 1.0357 | 0.9964 | 1.0597 | 0.8963 |
| Arachidonic acid | 0.8447 | 1.1651 | 0.9676 | 1.0744 |
| Arecoline | 1.0263 | 0.9853 | 1.1003 | 0.8793 |
| Arg/Asn/Asp/Cys | 1.7956 | 0.5008 | 1.0178 | 0.4206 |
| Arg/Ile/Ile/Phe | 0.7861 | 1.0005 | 1.1454 | 1.1393 |
| Arg/Phe/Phe/His | 0.9921 | 0.9386 | 1.2713 | 0.8006 |
| Ascorbate | 1.4167 | 0.5946 | 0.3693 | NA |
| Asn/Arg/Thr/Thr/Tyr | 0.7327 | 1.0254 | 1.1577 | 1.1734 |
| Asn/Asp | 1.6300 | 0.5864 | 0.9620 | 0.6116 |
| Asn/Asp/Cys/Pro | 1.2673 | 1.0177 | 0.9239 | 0.7021 |
| Asn/Cys/Ser | 1.0298 | 0.8875 | 1.1476 | 0.9252 |
| Asn/Gly | 1.5708 | 0.5286 | 1.1590 | 0.5514 |
| Asn/Ile/Ile/Ser | 1.1110 | 0.9072 | 1.0775 | 0.8673 |
| Asn/Leu/Asn/Asp | 1.1511 | 0.7922 | 1.1910 | 0.8153 |
| Asn/Leu/Gln/Ser | 1.2157 | 0.7670 | 1.1936 | 0.7519 |
| Asn/Leu/Ser/Tyr | 1.3708 | 0.1649 | 0.7840 | NA |
| Asn/Met/Asp/Gln | 1.0209 | 0.9116 | 1.0224 | 1.0381 |
| Asn/Met/Cys/Gly | 0.8330 | 1.0347 | 1.0233 | 1.1647 |
| Asn/Met/Pro/Ser | 1.2833 | 0.8267 | 1.0249 | 0.7707 |
| Asn/Met/Thr/Gln | 1.1970 | 0.7697 | 1.1857 | 0.7819 |
| Asn/Pro/Pro | 1.2539 | 0.8000 | 1.0630 | 0.7985 |
| Asn/Ser | 0.8101 | 1.0496 | 1.0772 | 1.1265 |
| Asn/Val/Ser/Ser | 1.2946 | NA | 0.6072 | NA |
| Asp/Arg/Ser/Ser/Tyr | 1.0405 | 0.9243 | 1.2388 | 0.7828 |
| Aspartate-semialdehyde | 0.8654 | 1.0982 | 0.9929 | 1.0883 |
| Asp/Asn/Thr/Thr/Thr | 1.3304 | 0.7581 | 0.9839 | 0.8175 |
| Asp/Asp/Asn/Asn/Asn | 1.9119 | 0.3746 | 1.0284 | 0.3811 |
| Asp/Asp/Asp/Arg/Thr | 1.2755 | 0.7916 | 1.0512 | 0.7899 |
| Asp/Asp/Glu/Glu/Pro | 1.3344 | NA | 0.5541 | NA |
| Asp/Asp/Gly/His/Trp | 1.5217 | 0.6558 | 0.8295 | 0.7043 |
| Asp/Asp/Ile/Trp/Tyr | 0.8668 | 0.9246 | 1.2507 | 1.0024 |
| Asp/Cys/Gly | 1.3971 | 0.6863 | 1.0231 | 0.7612 |
| Asp/Glu/Arg/Thr/Tyr | 0.8481 | 1.1334 | 1.0559 | 1.0133 |
| Asp/Glu/Glu/Thr | 2.0179 | 0.2771 | 1.0777 | 0.2881 |
| Asp/Glu/Ile/Gln/Gln | 1.6040 | 0.1253 | 1.0677 | 0.1302 |
| Asp/Glu/Ile/Lys/Pro | 1.6239 | 0.4943 | 1.1875 | 0.4863 |
| Asp/Glu/Lys/Lys/Lys | 0.9010 | 1.0505 | 1.0435 | 1.0380 |
| Asp/Glu/Lys/Thr/Thr | 1.0267 | 0.8989 | 1.1807 | 0.8848 |
| Asp/Glu/Phe/Phe/Trp | 0.6548 | 1.2395 | 0.9400 | 1.2808 |
| Asp/Gly | 1.5799 | 0.5773 | 1.0626 | 0.5870 |
| Asp/Gly/Asn/Asn/Trp | 2.1577 | 0.3170 | 0.8300 | 0.3093 |
| Asp/Gly/Pro | 1.1168 | 1.0157 | 1.0531 | 0.7755 |
| Asp/Gly/Tyr/Tyr/Tyr | 0.8254 | 1.2225 | 0.9544 | 1.0560 |
| Asp/His/Met/Pro/Arg | 1.1390 | 0.9016 | 1.0730 | 0.8401 |
| Asp/Ile/Arg/Thr/Tyr | 1.6035 | 0.3201 | 1.5138 | 0.3614 |
| Asp/Ile/Ile/Met/Trp | 1.1427 | 0.8564 | 0.9881 | 0.9652 |
| Asp/Ile/Ile/Thr/Thr | 1.4686 | 0.3288 | 0.8098 | 0.3675 |
| Asp/Leu | 1.6503 | 0.6060 | 0.9685 | 0.5584 |
| Asp/Leu/Ser | 2.2696 | 0.1342 | 1.0417 | 0.1313 |
| Asp/Lys/Met/Gln/Thr | 2.2446 | 0.0745 | 1.1837 | 0.0823 |
| Asp/Met/Asp/Gly | 1.2246 | 0.8041 | 0.9295 | 0.9669 |
| Asp/Met/Phe/Phe | 0.8009 | 1.1017 | 1.0127 | 1.1510 |
| Asp/Phe/Cys/Gly | 1.4296 | 0.7163 | 0.9561 | 0.7548 |
| Asp/Phe/Phe/Met/Tyr | 1.3634 | 0.3452 | 1.2442 | 0.3564 |
| Asp/Pro/Ser | 1.8571 | 0.3946 | 1.0773 | 0.3854 |
| Asp/Pro/Ser/Tyr | 1.1940 | 0.8443 | 1.0881 | 0.8090 |
| Asp/Ser | 1.8963 | 0.4046 | 1.0103 | 0.3900 |
| Asp/Thr/Ser/Ser | 2.1497 | 0.2635 | 0.8936 | 0.3099 |
| Asp/Tyr | 1.4966 | 0.5625 | 1.1317 | 0.6437 |
| Azelaic acid | 0.8663 | 1.1173 | 1.1109 | 0.9502 |
| Behenic acid | 0.4449 | 1.4038 | 0.9817 | 1.3548 |
| Bendiocarb | 1.1910 | 0.9623 | 1.0251 | 0.7580 |
| Bile salt | 1.6692 | 0.5044 | 1.1476 | 0.4558 |
| Botrydial | 1.0116 | 0.9879 | 1.0972 | 0.8995 |
| Brassicanal B | 0.9564 | 1.0065 | 1.0358 | 1.0158 |
| Candimine | 1.2562 | NA | 0.6584 | NA |
| Capric acid | 1.1243 | 0.7502 | 1.0541 | 1.0300 |
| CDP-Ethanolamine | 1.4725 | 0.7537 | 0.9079 | 0.7084 |
| CDP-N-dimethylethanolamine | 1.5485 | 0.7999 | 0.7332 | 0.7356 |
| Cer(d33:1) | 1.0348 | 1.0095 | 0.8972 | 1.0468 |
| Cer(d34:2) | 1.0477 | 1.0255 | 0.9716 | 0.9393 |
| Cer(d36:1) | 1.0394 | 1.0208 | 0.9962 | 0.9304 |
| Cer(d38:2) | 0.8798 | 1.1140 | 0.8788 | 1.1675 |
| Cer(d40:1) | 1.4404 | 0.7844 | 0.9389 | 0.6896 |
| Cer(d40:2) | 1.4039 | 1.0862 | 0.5408 | 0.8345 |
| Cer(d41:2) | 1.0035 | 1.0913 | 0.9121 | 0.9919 |
| Chaetoglobosin A | 0.6709 | 0.8810 | 1.7394 | 0.8184 |
| Chelirubine | 1.1014 | 0.9910 | 0.7519 | 1.1220 |
| Chenodeoxyglycocholate | 1.4304 | 0.6600 | 1.1366 | 0.6295 |
| Chlorate | 0.8078 | 1.1695 | 0.8216 | 1.2652 |
| Chlorotrianisene | 1.8529 | 0.4880 | 0.9754 | 0.3994 |
| Cholic acid | 1.8672 | 0.3905 | 1.0730 | 0.3802 |
| Cidofovir | 1.3035 | 0.9144 | 0.9202 | 0.7607 |
| cis-Aconitic acid | 1.4074 | 0.7971 | 0.8904 | 0.7693 |
| cis-(homo)3aconitate | 0.9323 | 1.0793 | 0.9973 | 1.0137 |
| Citric acid | 1.3878 | 1.0930 | 0.0935 | 1.2964 |
| Cladinose | 0.8931 | 0.9741 | 1.2213 | 0.9471 |
| Clavulanate | 1.5393 | 0.7297 | 1.0376 | 0.5136 |
| coptisine | 1.2413 | 0.8250 | 1.0690 | 0.7842 |
| Cyclic ADP-ribose | 1.2058 | 0.8450 | 1.0349 | 0.8457 |
| cyclopentanehexanoic acid | 1.0155 | 1.0182 | 0.8681 | 1.0929 |
| "cyclopropane phosphatidylglycerol (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)" | 1.4931 | 0.6953 | 0.9598 | 0.6874 |
| Cys/Asn/Gln/Arg/Arg | 1.0605 | 1.0354 | 0.9829 | 0.9010 |
| Cys/Asp/Asp/Gly/Pro | 0.8095 | 0.9888 | 1.0148 | 1.2504 |
| Cys/Asp/Asp/Ser/Thr | 1.2705 | 0.8077 | 1.1886 | 0.6430 |
| Cys/Asp/Gly/Pro/Ser | 1.4847 | 0.5703 | 1.1463 | 0.6371 |
| Cys/Asp/Phe/His/Arg | 1.9204 | 0.3412 | 1.0959 | 0.3357 |
| Cys/Cys/Asp/Met/Pro | 1.3419 | 0.8223 | 0.9399 | 0.7819 |
| Cys/Cys/Asp/Met/Thr | 0.8771 | 0.9693 | 1.1676 | 1.0270 |
| Cys/Cys/Cys/Gly/Ser | 1.8553 | 0.7948 | 0.4932 | 0.5717 |
| Cys/Cys/Cys/His/Thr | 0.9373 | 0.8218 | 1.4247 | 0.8372 |
| Cys/Cys/Cys/Leu/Trp | NA | 1.3682 | 0.3647 | 1.2670 |
| Cys/Cys/Gly/His/Arg | 1.0894 | 0.8871 | 1.0784 | 0.9153 |
| Cys/Cys/His/Asn/Gln | 1.1996 | 0.8560 | 1.0415 | 0.5089 |
| Cys/Cys/His/Gln/Gln | 0.8735 | 1.1977 | 0.9490 | 1.0221 |
| Cys/Cys/Leu/Met/Trp | NA | 1.4679 | 0.2613 | 1.2708 |
| Cys/Cys/Met/Met/Met | 1.5924 | 0.4847 | 0.7392 | 0.4435 |
| Cys/Gln/Gln/Arg/Arg | 2.3383 | 0.0952 | 1.0450 | 0.0753 |
| Cys/Gly | 1.3281 | 0.6960 | 1.2227 | 0.6439 |
| Cys/Gly/Lys/Ser/Tyr | 1.3119 | NA | 0.5841 | NA |
| Cys/Gly/Trp/Trp/Trp | 0.9272 | 1.0135 | 0.9911 | 1.0924 |
| Cys/His/Asn/Ser/Ser | 0.8950 | 1.1561 | 0.8076 | 1.1764 |
| Cys/His/Pro/Arg/Thr | 1.1583 | NA | 0.7889 | NA |
| Cys/Ile/Arg/Trp/Trp | 1.1800 | 0.9253 | 0.9707 | 0.8641 |
| Cys/Ile/Ile/Lys/Trp | 0.7249 | 1.2148 | 0.9667 | 1.1854 |
| Cys/Ile/Ile/Met/Met | 1.1339 | 0.8821 | 1.0553 | 0.8842 |
| Cys/Met/Gln/Pro | 0.6728 | 1.3324 | 0.7907 | 1.3133 |
| Cys/Met/Gly/Pro | 1.0416 | 0.8189 | 1.0913 | 1.0344 |
| Cys/Met/Met/Phe | 0.9693 | 0.9830 | 0.8119 | 1.2461 |
| Cys/Phe/Gly/Asn/Trp | 0.7799 | 1.1514 | 0.9913 | 1.1507 |
| Cys/Ser/His | 1.2323 | 0.5960 | 1.4312 | 0.6630 |
| cysteine-adenylate | 1.1573 | NA | 0.7903 | NA |
| cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate} | 0.9075 | 1.0620 | 1.0257 | 1.0356 |
| demethyl-phosphinothricin | 1.1438 | 0.6893 | 1.1852 | 0.9336 |
| deoxypumiloside | 1.8166 | 0.4529 | 0.9931 | 0.4651 |
| Deoxyribose | 0.8844 | 1.1296 | 0.9205 | 1.1040 |
| Deoxyribose 5-phosphate | 1.2631 | 1.0809 | 0.6339 | 0.9345 |
| DG(11D3/11M3/0:0) | 1.0251 | 0.8829 | 0.9739 | 1.1097 |
| DG(11D3/11M5/0:0) | 0.9747 | 1.1964 | 0.8646 | 0.9727 |
| DG(11M3/9D3/0:0) | 1.2568 | 0.7797 | 1.0290 | 0.8489 |
| Dictyoquinazol C | 1.0729 | 0.9189 | 1.0825 | 0.9014 |
| Diethyl adipate | 1.0948 | 0.9408 | 0.8842 | 1.0485 |
| Diethyl oxalpropionate | 1.0133 | 0.8868 | 1.1232 | 0.9722 |
| Diethyl tartrate | 0.9488 | 0.9765 | 0.9577 | 1.1341 |
| Dihydroclavaminic acid | 1.5078 | 0.5165 | 1.3178 | 0.4886 |
| Dihydroxyacetone phosphate | 0.3083 | 1.5480 | 0.2741 | 1.8696 |
| Diketogulonic acid | 1.1736 | 0.9286 | 0.7564 | 1.0836 |
| Dimethyl adipate | 1.0336 | 0.8131 | 1.2751 | 0.8670 |
| Docosahexaenoic acid | 0.8136 | 1.2412 | 0.9428 | 1.0645 |
| Docosapentaenoic acid (22n-3) | 0.8574 | 1.1371 | 1.0123 | 1.0408 |
| Dodecanedioic acid | 1.0859 | 0.9819 | 1.0612 | 0.8423 |
| Dodecanoic acid | 1.0864 | 0.9069 | 0.9617 | 1.0162 |
| Dopamine | 1.3155 | 0.8006 | 1.0677 | 0.7110 |
| Dopaquinone | 1.1899 | 0.7766 | 1.0531 | 0.9171 |
| Drotaverine | 0.8791 | 1.0514 | 1.0394 | 1.0703 |
| dTDP | 0.8193 | 0.8616 | 1.4829 | 0.8965 |
| Eicosenoic acid | 0.7956 | 1.1290 | 1.0602 | 1.0834 |
| Epinephrine sulfate | 1.1543 | 0.9099 | 1.1670 | 0.7173 |
| erucamide | 1.0209 | 1.0309 | 0.9796 | 0.9616 |
| erythro-L-galacto-Nonulose | 1.0870 | 1.1040 | 0.8590 | 0.9210 |
| Erythronic acid | 1.4562 | 0.6713 | 1.1487 | 0.5717 |
| ethyl-(2R)-methyl-(3S)-hydroxybutanoate | 0.9481 | 0.9347 | 0.9280 | 1.2064 |
| Ethyl 3-oxohexanoate | 1.0631 | 0.9382 | 1.0411 | 0.9366 |
| Ethyladipic acid | 0.9107 | 1.0528 | 0.8800 | 1.1863 |
| Ethylene brassylate | 0.9286 | 0.9472 | 1.0380 | 1.1100 |
| Euchrenone b3 | 0.9907 | 1.1000 | 1.0168 | 0.8956 |
| FA (19:1) | 0.9441 | 0.9840 | 1.0891 | 1.0015 |
| FA (23:1) | 0.6652 | 1.2896 | 1.0330 | 1.1237 |
| FA dioxo(10:0) | 0.8950 | 1.0707 | 0.9097 | 1.1596 |
| FA methyl(16:1) | 1.1812 | 0.9326 | 0.9443 | 0.8815 |
| FA methyl(8:0) | 1.0929 | 0.7502 | 1.0191 | 1.1069 |
| FA oxo(7:0) | 1.1272 | 0.7486 | 1.2021 | 0.8798 |
| ferric dicitrate | 1.2084 | 0.9692 | 0.9669 | 0.7860 |
| Ferruginol | 0.8234 | 1.1127 | 0.9187 | 1.2040 |
| Flavaprin | 0.8392 | 1.1378 | 0.9772 | 1.0994 |
| Flucythrinate | 1.2136 | 0.8662 | 1.0389 | 0.8101 |
| Fluocinolone | 0.9046 | 0.9885 | 1.0578 | 1.0809 |
| Formylglutathione | 1.0811 | 1.0452 | 0.7951 | 1.0515 |
| formyl-isoglutamine | 1.8460 | 0.4108 | 1.0217 | 0.4395 |
| Formylpyruvate | 1.4813 | 0.7285 | 0.9333 | 0.6964 |
| Fructose | 0.9741 | 1.0805 | 0.9757 | 0.9782 |
| Fructose 6-phosphate | 1.1100 | 1.0679 | 0.8195 | 0.9659 |
| Fucose 1-phosphate | 1.9907 | 0.3052 | 0.9703 | 0.4036 |
| Fumaric acid | 1.3568 | 0.7591 | 1.0712 | 0.6939 |
| Fumarycarnitine | 0.8459 | 1.0361 | 0.9655 | 1.2040 |
| Galactinoldihydrate | 0.8604 | 1.1706 | 0.9137 | 1.1018 |
| Galacto-2-heptulose | 0.9536 | 0.9567 | 1.0306 | 1.0746 |
| Galactonic acid | 1.1213 | 0.9251 | 0.9880 | 0.9252 |
| Galactose | 0.8516 | 1.0876 | 0.9838 | 1.1265 |
| gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide | 1.6278 | 0.4618 | 1.1868 | 0.5143 |
| "GDP-3,6-dideoxy-D-galactose" | 1.2611 | 0.8289 | 1.0499 | 0.7730 |
| Genipin | 1.1915 | 0.7029 | 1.1995 | 0.8423 |
| Gentisyl alcohol | 1.0894 | 0.9743 | 0.9848 | 0.9218 |
| Gln/Val/Pro/Pro | 1.3188 | 0.8213 | 1.0111 | 0.7425 |
| Glu/Ala/Gly | 1.4517 | 0.8152 | 0.8584 | 0.7242 |
| Glu/Ala/Ile | 1.3769 | NA | 0.4975 | NA |
| Glu/Ala/Ser | 1.7577 | 0.4634 | 0.9999 | 0.5264 |
| Glu/Asp/Phe | 1.3999 | 0.7128 | 0.9271 | 0.8269 |
| Glu/Asp/Pro | 1.7231 | 0.5292 | 1.0417 | 0.4650 |
| Glucosamine 6-phosphate | 0.6816 | 1.3083 | 0.8571 | 1.2591 |
| glucosylglycerate | 0.9689 | 0.9961 | 0.9381 | 1.1073 |
| Glucuronic acid | 0.8712 | 1.2098 | 0.7434 | 1.2185 |
| Glu/Glu/Glu/Phe/Pro | 0.9943 | 0.9594 | 1.1507 | 0.8975 |
| Glu/Gly/Val | 1.3677 | 0.7588 | 0.9683 | 0.7826 |
| Glu/Leu | 2.0052 | 0.2945 | 1.0248 | 0.3404 |
| Glu/Lys/Met/Met/Pro | 1.3843 | NA | 0.7266 | 0.2833 |
| Glu/Met/Ser | 0.5155 | 1.4981 | 0.6932 | 1.4547 |
| Glu/Phe/Asp/Asp | 0.9094 | 1.1999 | 0.9357 | 0.9852 |
| Glutamate methylester | 1.0141 | 0.9811 | 1.1221 | 0.8779 |
| Glutamic acid | 0.8105 | 1.1632 | 0.8959 | 1.1937 |
| Glutamic gamma-semialdehyde | 1.4868 | 0.5881 | 1.1878 | 0.5750 |
| glutathione sulfinate | 1.0876 | 0.9477 | 1.0482 | 0.8874 |
| Glu/Thr | 1.8419 | 0.4595 | 0.9540 | 0.4639 |
| Glu/Thr/Val/Gly | 1.3436 | 0.7925 | 1.0772 | 0.6722 |
| Glu/Val/Val | 1.4453 | 0.6788 | 1.0572 | 0.6703 |
| Glyceraldehyde 3-phosphate | 1.3315 | 0.5463 | 0.1276 | NA |
| Glyceric acid | 1.2219 | 0.9285 | 0.8493 | 0.9264 |
| "Glyceric acid 1,3-biphosphate" | 1.4199 | 0.7378 | 0.8755 | 0.8268 |
| "Glycerol 1,3-didodecanoate 2-decanoate" | 1.2730 | 0.8426 | 0.9216 | 0.8719 |
| Glycerol 3-phosphate | 0.5801 | 1.4795 | 0.6685 | 1.4118 |
| glycero-L-galacto-Octulose | 0.8641 | 1.0791 | 1.0593 | 1.0429 |
| Glycerol tributanoate | 1.1632 | 0.8304 | 1.0500 | 0.9020 |
| Glycerol tripropanoate | 0.8407 | 1.0557 | 0.9571 | 1.1996 |
| Glycerophosphoglycerol | 1.2129 | 0.9105 | 0.9177 | 0.8879 |
| Glycine | 1.0469 | 1.0251 | 1.0003 | 0.9122 |
| glycyl-L-hydroxyproline | 2.1522 | 0.2043 | 1.0598 | 0.1997 |
| Gly/Ser | 1.7843 | 0.4157 | 1.0652 | 0.4734 |
| Gly/Ser/Tyr | 1.3231 | 0.7599 | 1.0867 | 0.7226 |
| "Gossypetin 7,4^-dimethyl ether 8-acetate" | 0.7810 | 1.1351 | 0.9745 | 1.1824 |
| Guanosine diphosphate mannose | 1.1829 | 0.9524 | 0.9344 | 0.8694 |
| "Gulono-1,4-lactone" | 0.9629 | 1.0362 | 0.9847 | 1.0285 |
| Heptadecanoic acid | 0.6837 | 1.1822 | 0.9579 | 1.2817 |
| heptaprenylphospho-beta-D-mannose | 1.2425 | 0.8889 | 1.0948 | 0.6930 |
| Hericenone C | 1.2797 | 0.8198 | 1.0583 | 0.7489 |
| hexafluorophosphate | 1.0203 | 0.8925 | 1.0472 | 1.0332 |
| His/Arg/Arg/Val/Trp | 1.0061 | 1.0209 | 0.9680 | 1.0029 |
| Hydantoin-5-propionic acid | 1.7822 | 0.4468 | 1.0524 | 0.4580 |
| Hydrogen phosphate | 0.9723 | 0.9714 | 1.0337 | 1.0317 |
| hydroxy-3-(tetradecenoyloxy)-propanoic acid | 0.9338 | 1.0102 | 1.0206 | 1.0575 |
| hydroxylauric acid | 1.1560 | 0.8618 | 0.9631 | 0.9671 |
| Hydroxymethylphosphonate | 1.3397 | 0.7605 | 0.9665 | 0.8201 |
| Hydroxypropionic acid | 1.0811 | 0.9753 | 1.0330 | 0.8835 |
| Hydroxypyruvic acid | 0.8368 | 1.2264 | 0.5281 | 1.4630 |
| Hymenoflorin | 0.6129 | 1.1927 | 0.8003 | 1.3941 |
| Hymenoxon | 0.5789 | 1.4177 | 0.7185 | 1.4252 |
| Hymexazol O-glucoside | 1.5479 | 0.6899 | 0.9279 | 0.6517 |
| Ile/Ala/Ser | 1.8280 | 0.3946 | 1.0899 | 0.4115 |
| Ile/Asp/Gly | 1.8177 | 0.3913 | 1.0729 | 0.4456 |
| Ile/Lys/Lys/Ser/Val | 0.9799 | 0.9235 | 1.0570 | 1.0463 |
| Ile/Met/Met | 1.3853 | 0.6909 | 1.1115 | 0.6838 |
| Ile/Ser/Thr | 1.1677 | 0.8452 | 1.0510 | 0.8802 |
| Ile/Trp | 1.2895 | NA | 0.6140 | NA |
| Ile/Tyr | 1.0892 | 0.8688 | 1.1683 | 0.8440 |
| Imidazoleacetic acid ribotide | 1.7257 | 0.2905 | 0.9535 | 0.3154 |
| Iminodiacetic acid | 1.2419 | 0.8371 | 1.1455 | 0.6949 |
| Indoleacrylic acid | 1.0416 | 0.9415 | 1.0377 | 0.9654 |
| Inosine | 0.9775 | 0.9071 | 1.0488 | 1.0742 |
| Inosinic acid | 1.0641 | 1.1433 | 0.6787 | 1.0926 |
| Inositol cyclic phosphate | 1.1639 | 0.8647 | 0.9826 | 0.9342 |
| iodovulone I | 1.1520 | 0.8378 | 1.2143 | 0.7453 |
| Ketoleucine | 0.9752 | 0.8381 | 1.3075 | 0.8874 |
| kifunensine | 1.2198 | 0.8123 | 1.0829 | 0.8118 |
| LacCer(d32:1) | 1.0199 | 0.9917 | 0.9256 | 1.0562 |
| Lactic acid | 1.2854 | 0.7882 | 1.1171 | 0.7142 |
| Lactosylceramide (d18:1/12:0) | 1.0440 | 0.9134 | 1.1650 | 0.8629 |
| lesquerolate | 1.0969 | 0.7820 | 1.2451 | 0.8760 |
| Leu/Ala/Ala | 1.7014 | NA | 0.6886 | 0.0642 |
| Leucodopachrome | 0.5234 | 1.4351 | 0.5214 | 1.6790 |
| Linoleic acid | 1.0857 | 0.7763 | 1.0594 | 1.0499 |
| Longifolonine | 1.1564 | 0.9947 | 1.0665 | 0.7302 |
| Lynestrenol | 0.9021 | 1.0391 | 0.9850 | 1.1065 |
| Lys/Arg/Arg/Arg/Arg | 1.5473 | 0.6349 | 0.9412 | 0.6941 |
| Lys/Gly | 1.7879 | 0.2198 | 0.7297 | NA |
| LysoPA(16:0) | 1.9620 | 0.5769 | 0.5408 | 0.5996 |
| LysoPA(18:1) | 1.4426 | 0.8143 | 0.7844 | 0.8112 |
| LysoPC(20:3) | NA | 1.0123 | 0.4773 | 1.1619 |
| LysoPE(18:2) | 0.9956 | 1.0574 | 0.9758 | 0.9727 |
| LysoPE(18:3) | 1.0647 | 0.9629 | 1.0592 | 0.8917 |
| LysoPE(20:4) | 0.7384 | 1.2221 | 0.7437 | 1.3830 |
| LysoPG(16:0) | 1.0940 | 0.9152 | 1.1008 | 0.8586 |
| LysoPG(18:1) | 0.9964 | 0.9947 | 1.0987 | 0.9114 |
| LysoPG(18:2) | 1.0877 | 0.8903 | 1.1205 | 0.8723 |
| LysoPI(17:0) | 1.2746 | 0.8649 | 0.9908 | 0.7781 |
| LysoPI(20:3) | 0.6891 | 1.2894 | 0.9710 | 1.1541 |
| LysoPS(16:0) | 0.5717 | 1.1887 | 1.1827 | 1.1997 |
| LysoPS(20:4) | 0.3253 | 1.4831 | 0.9322 | 1.4844 |
| LysoPS(20:5) | 0.4013 | 1.5035 | 0.9311 | 1.3636 |
| Maleic acid homopolymer | 0.9586 | 0.7231 | 1.1477 | 1.1843 |
| Malic acid | 1.5249 | 0.7678 | 0.8579 | 0.6744 |
| Malonic semialdehyde | 0.9914 | 1.0357 | 0.9837 | 0.9921 |
| malyl alpha-D-glucosaminide | NA | 1.5752 | 0.1421 | 1.2826 |
| mandeloylglutathione | 0.9242 | 1.2091 | 0.8668 | 1.0252 |
| Mannitol | 0.8293 | 1.1350 | 0.9524 | 1.1401 |
| Mannitol 1-phosphate | 1.2318 | 0.9731 | 0.8292 | 0.8886 |
| Melatonin glucuronide | 0.9659 | 1.1042 | 0.9136 | 1.0277 |
| Metazocine | 1.0645 | 1.0227 | 0.9730 | 0.9183 |
| methyl-5^-thioinosine | 1.4801 | 0.5404 | 1.2324 | 0.5871 |
| Methyl jasmonate | 0.9038 | 1.0895 | 0.9426 | 1.0961 |
| Methylmalonic acid | 1.2848 | 0.8451 | 0.9338 | 0.8413 |
| Met/Val | 1.3069 | NA | 0.3862 | NA |
| MG(14:1) | 1.0265 | 1.0303 | 0.8899 | 1.0445 |
| Miraxanthin-III | 1.0089 | 0.9426 | 1.2336 | 0.8119 |
| monic acid | 1.0061 | 1.0648 | 1.0086 | 0.9184 |
| monolinuron | 1.0715 | 0.7696 | 1.1239 | 1.0112 |
| Monomethyl sulfate | 1.2774 | 0.8221 | 0.9462 | 0.8618 |
| Muricatenol | 1.3768 | 0.7653 | 0.8781 | 0.8542 |
| mycosporine glycine | 1.2296 | 0.8777 | 0.9858 | 0.8304 |
| Myristic acid | 0.9841 | 1.1090 | 0.9444 | 0.9677 |
| N-23-dihydroxybenzoyl-L-serine | 1.0197 | 1.3114 | 0.7803 | 0.8329 |
| N2-Succinyl-L-glutamic acid 5-semialdehyde | 0.3980 | 1.4598 | 0.4061 | 1.9367 |
| "N3-fumaramoyl-L-2,3-diaminopropanoate" | 1.0725 | 0.8996 | 0.9203 | 1.1251 |
| N3-hydroxyethylcytosine | 1.2800 | 0.7739 | 1.0997 | 0.7531 |
| N4-acetyl-N4-hydroxy-1-aminopropane | 1.3480 | 0.7519 | 1.0015 | 0.7826 |
| N-(4-oxoglutaryl)-L-cysteinylglycine | 1.6320 | 0.6022 | 0.9468 | 0.6084 |
| N-Acetylanthranilate | 1.0966 | 0.9453 | 1.0386 | 0.8872 |
| N-Acetylasparagine | 1.3421 | 0.8204 | 0.8629 | 0.8607 |
| N-Acetylaspartylglutamic acid | 1.2810 | 0.8884 | 0.9039 | 0.8329 |
| N-acetyldemethylphosphinothricyl-L-alanyl-L-leucine | 0.7085 | 1.2382 | 0.9264 | 1.2240 |
| N-Acetyl-D-glucosaminate | 0.9714 | 1.0551 | 0.9368 | 1.0463 |
| N-Acetyl-D-Glucosamine 6-Phosphate | 1.1367 | 0.9479 | 0.8911 | 0.9787 |
| N-Acetylglutamic acid | 0.9468 | 1.0769 | 0.9043 | 1.0898 |
| N-Acetyl-L-aspartic acid | 1.3169 | 0.8072 | 1.0012 | 0.7691 |
| N-Acetyl-L-methionine | 1.1503 | 0.8284 | 1.3082 | 0.6630 |
| N-Acetyl-S-(N-methylcarbamoyl)cysteine | 0.9952 | 1.0110 | 0.9737 | 1.0217 |
| NAD stem group | 1.5640 | 0.5811 | 0.9671 | 0.6999 |
| Narceine | 1.9771 | 0.3573 | 1.0557 | 0.2842 |
| N-Benzyloxycarbonylglycine | 1.0771 | 0.9860 | 1.0139 | 0.8974 |
| N-(butyryl)-L-homoserine | 1.4396 | 0.5765 | 1.3234 | 0.5140 |
| N-Decanoylglycine | 1.1801 | 0.7404 | 1.3791 | 0.6403 |
| Neodulin | 1.2498 | 0.8914 | 0.9243 | 0.8512 |
| Nervonic acid | 0.6590 | 1.2846 | 0.8258 | 1.3442 |
| N-Formimino-L-glutamate | 1.4485 | 0.5414 | 1.2417 | 0.6189 |
| N-Gluconyl ethanolamine phosphate | 0.6392 | 1.5544 | 0.5972 | 1.3295 |
| nhatrangin B | 1.7208 | 0.2914 | 0.2751 | NA |
| N-Hydroxy-L-tyrosine | 0.7029 | 1.2724 | 0.7583 | 1.3655 |
| nicotinamide guanine dinucleotide | 1.5900 | 0.6445 | 0.8998 | 0.6691 |
| nicotinic acid N-oxide | 1.0387 | 0.9904 | 0.9939 | 0.9641 |
| Nitroethane | 1.0722 | 0.8721 | 1.1623 | 0.8694 |
| N-Lignoceroylsphingosine | 1.3092 | 0.9416 | 0.8999 | 0.7461 |
| N-methylmaleimide | 1.1101 | 0.9443 | 1.0826 | 0.8264 |
| "N,N-Dihydroxy-L-tyrosine" | 1.2148 | 0.8108 | 1.1241 | 0.7787 |
| "N,N-Dimethylsphingosine" | 0.5888 | 1.2576 | 1.0722 | 1.2184 |
| N-Nitrosoproline | 1.2184 | 0.8159 | 1.0901 | 0.8028 |
| N-Nonanoylglycine | 1.1928 | 0.7927 | 1.5492 | 0.4010 |
| nocardicin E | 0.6260 | 1.5301 | 0.7248 | 1.2438 |
| nocardicin G | 0.9129 | 1.0638 | 0.9730 | 1.0793 |
| N-Oleoylethanolamine | 0.6395 | 1.2255 | 1.0919 | 1.1633 |
| Nonate | 0.9790 | 0.7159 | 1.3139 | 0.9982 |
| Norepinephrine sulfate | 0.4472 | 1.6224 | 0.7295 | 1.3851 |
| N-Palmitoylsphingosine | 1.0939 | 1.0109 | 0.8037 | 1.0602 |
| N-Succinyl-L-glutamate | 1.3418 | 0.7668 | 1.0706 | 0.7069 |
| O-Acetylserine | 1.1108 | 0.8998 | 1.1827 | 0.7698 |
| Oleoyl-CoA | 1.4097 | 0.7545 | 1.1373 | 0.5619 |
| Orotic acid | 1.6669 | 0.4866 | 1.1500 | 0.4743 |
| Orotidine | 1.1300 | 0.9084 | 1.0075 | 0.9108 |
| Oxamate | 0.8702 | 1.1096 | 0.9227 | 1.1408 |
| Oxoglutaric acid | 1.9669 | 0.6036 | 0.5818 | 0.5253 |
| PA(32:1) | 1.6952 | 0.7162 | 0.7437 | 0.6132 |
| PA(33:1) | 1.7434 | 0.6663 | 0.7367 | 0.6057 |
| PA(34:1) | 1.3503 | 0.8022 | 1.0722 | 0.6586 |
| PA(38:6) | 1.4838 | 0.8522 | 0.7957 | 0.7070 |
| Palmitoleic acid | 1.3216 | 0.8494 | 0.9459 | 0.7759 |
| Palmitoylethanolamide | 0.6819 | 1.2307 | 0.9764 | 1.2169 |
| p-aminobenzoyl glutamate | 1.0103 | 1.0802 | 0.8522 | 1.0538 |
| Pantetheine 4^-phosphate | 0.9063 | 0.8343 | 1.5025 | 0.7882 |
| PC(31:1) | 1.0692 | 1.0652 | 0.9663 | 0.8762 |
| PC(31:3) | 0.9978 | 0.9229 | 1.1746 | 0.9054 |
| PC(33:2) | 1.0536 | 0.9519 | 0.9387 | 1.0379 |
| "PC(DiMe(11,3)/MonoMe(11,3))" | 1.4012 | 0.9330 | 0.8773 | 0.6548 |
| P-DPD | 1.5155 | 0.7508 | 0.7674 | 0.7946 |
| PE(30:4) | 1.1355 | 1.0329 | 0.9864 | 0.8001 |
| PE(34:3) | 1.1334 | 0.9097 | 0.9501 | 0.9624 |
| PE(36:5) | 0.9887 | 1.0178 | 0.9554 | 1.0418 |
| PE(38:3) | 1.0866 | 0.8377 | 1.0584 | 0.9885 |
| PE(P-36:3) | 0.8556 | 0.9910 | 0.9420 | 1.2595 |
| PE(P-36:4) | 0.9692 | 1.0213 | 1.0088 | 1.0110 |
| PE(P-38:5) | 1.1970 | 0.9191 | 0.9854 | 0.8328 |
| peroxysulfate | 0.8582 | 1.0178 | 1.2039 | 0.9674 |
| PG(17:0) | 1.2072 | 0.7991 | 1.1819 | 0.7428 |
| PG(33:1) | 1.6115 | 0.5717 | 1.0147 | 0.5982 |
| PG(33:2) | 1.3968 | 0.6709 | 0.9021 | 0.8980 |
| PG(34:2) | 1.7439 | 0.4835 | 1.0087 | 0.5159 |
| PG(34:3) | 1.4118 | 0.7529 | 1.0749 | 0.6232 |
| PG(35:1) | 1.8754 | 0.4699 | 0.7870 | 0.5758 |
| PG(35:2) | 1.6673 | 0.5704 | 0.9166 | 0.6234 |
| PG(35:3) | 1.6137 | 0.6162 | 0.9170 | 0.6486 |
| PG(37:5) | 1.4466 | 0.7242 | 0.9289 | 0.7515 |
| PG(40:10) | 0.8775 | 1.3919 | 0.8246 | 0.9468 |
| Phe/Asp | 1.9687 | 0.3616 | 0.9874 | 0.3594 |
| Phe/His/His/His/Pro | 0.6374 | 1.1730 | 1.0864 | 1.2241 |
| Phe/Lys/Met/Arg/Arg | 0.9253 | 1.1370 | 0.9503 | 1.0124 |
| Phenethylamine glucuronide | 0.7728 | 1.2464 | 0.7506 | 1.3059 |
| Phenolsulfonphthalein | 1.3658 | 0.7351 | 1.0780 | 0.6992 |
| Phe/Pro/Pro/Thr/Trp | 0.6198 | 1.2300 | 1.0810 | 1.1960 |
| PHHdiA-PE | 0.6305 | 1.1479 | 0.3828 | 1.1810 |
| PHODiA-PE | 0.5300 | 1.3682 | 0.5016 | 1.7568 |
| Phosphodimethylethanolamine | 0.9423 | 0.8893 | 1.2366 | 0.9510 |
| Phosphoenolpyruvic acid | NA | 1.1563 | 0.6082 | 1.1049 |
| Phosphoserine | 1.4575 | 0.6959 | 0.8982 | 0.6939 |
| Phyllospadine | 0.8928 | 1.1146 | 0.9456 | 1.0827 |
| PI(16:1) | 1.1033 | 0.8636 | 1.2536 | 0.7450 |
| PI(18:2) | 0.6918 | 1.1837 | 1.0829 | 1.1443 |
| PI(18:3) | 0.9241 | 0.9122 | 1.2462 | 0.9428 |
| PI(20:5) | 0.9110 | 0.9909 | 1.1368 | 0.9908 |
| PI(34:1) | 1.0332 | 1.0665 | 0.9566 | 0.9327 |
| PI(36:2) | 1.0199 | 1.1465 | 0.7792 | 1.0478 |
| PI(38:4) | 0.8201 | 1.3339 | 0.8606 | 1.0454 |
| P-IsoPGF2-PC | 1.2422 | 0.8327 | 0.9972 | 0.8472 |
| Plaunol D | 0.7975 | 1.0425 | 0.9913 | 1.2363 |
| "Polyethylene, oxidized" | 1.0339 | 0.9843 | 0.7417 | 1.2288 |
| Ponatinib | 1.7147 | 0.5012 | 0.8684 | 0.6774 |
| potassium dihydrogen phosphate | 0.9910 | 1.1679 | 1.1259 | 0.7183 |
| Proacacipetalin | 0.8920 | 1.0733 | 1.0502 | 1.0206 |
| PS(18:3) | 0.4540 | 1.3412 | 1.0767 | 1.3101 |
| PS(36:2) | 0.9873 | 0.9389 | 0.8995 | 1.1786 |
| PS(40:6) | 0.9478 | 1.1574 | 0.7520 | 1.1601 |
| Pseudouridine | 0.9514 | 0.8764 | 1.2142 | 0.9742 |
| PS(O-34:1) | 0.8906 | 0.9840 | 1.1504 | 1.0114 |
| PS(O-36:2) | 0.8585 | 1.0965 | 1.0683 | 1.0238 |
| PS(O-42:2) | 0.9384 | 1.0674 | 0.9807 | 1.0340 |
| PS(P-34:0) | 0.9243 | 1.0847 | 0.9049 | 1.1112 |
| PS(P-42:1) | 0.9038 | 1.0280 | 0.9446 | 1.1557 |
| Pyrimidine 5^-deoxynucleotide | 0.9303 | 0.9016 | 1.0645 | 1.1268 |
| Pyroglutamic acid | 1.1489 | 0.9086 | 1.0723 | 0.8206 |
| Pyrophosphate | 1.0427 | 1.0148 | 1.0296 | 0.8986 |
| Pyruvaldehyde | 0.6066 | 1.3771 | 0.5570 | 1.5904 |
| Pyruvate oxime | 0.8288 | 1.2049 | 0.9272 | 1.0961 |
| Pyruvic acid | 1.8925 | 0.4041 | 0.9980 | 0.4080 |
| Quinic acid | 0.9034 | 1.0661 | 0.9985 | 1.0643 |
| Reduced coenzyme F420 | 1.4018 | 0.5781 | 0.6049 | NA |
| Reticuline | 1.0239 | 1.0298 | 0.9263 | 1.0120 |
| Ribose | 1.1566 | 0.9409 | 1.0518 | 0.7984 |
| Ribose 5-phosphate | 1.2914 | 0.9762 | 0.7408 | 0.8945 |
| Rishitin | 1.0286 | 0.9917 | 1.0067 | 0.9635 |
| Rugosal | 0.5103 | 1.1170 | 0.5957 | 1.3442 |
| Sarcinic acid | 0.9216 | 1.1427 | 0.9361 | 1.0257 |
| Secobarbital | 0.9702 | 1.0543 | 0.9886 | 0.9969 |
| Sedoheptulose 7-phosphate(2-) | 1.7421 | 0.5036 | 0.9757 | 0.5312 |
| Ser/Ser/Ser/Thr/Thr | 1.5224 | 0.6872 | 1.0233 | 0.5930 |
| "(S,E)-Zearalenone" | 1.0473 | 0.9417 | 1.1498 | 0.8454 |
| sinapoyltyramine | 0.9073 | 0.9895 | 1.1852 | 0.9489 |
| Sphingosine 1-phosphate | 1.0882 | 0.9670 | 1.0989 | 0.8165 |
| Stearic acid | 0.5058 | 1.3452 | 0.9916 | 1.3221 |
| Succinic acid | 0.8359 | 1.0820 | 0.9507 | 1.1861 |
| Succinyladenosine | 1.3436 | 0.7605 | 0.9753 | 0.8060 |
| Sulfate | 1.0666 | 1.1113 | 0.7117 | 1.0882 |
| Sulfinpyrazone sulfide | 1.2329 | 0.8149 | 1.0189 | 0.8556 |
| Sulfoacetaldehyde | 1.1618 | 0.9232 | 0.9272 | 0.9338 |
| Sulforhodamine B | 1.7965 | 0.6100 | 0.7426 | 0.5854 |
| Talbutal | 1.0291 | 0.9519 | 1.1108 | 0.8985 |
| Tauro-b-muricholic acid | 1.2748 | 0.8415 | 1.0395 | 0.7525 |
| Taurohyocholate | 1.2906 | 0.7031 | 1.2480 | 0.6615 |
| Tetracosanoic acid | 0.7845 | 1.1519 | 1.0316 | 1.1038 |
| Tetranor-PGF1alpha | 0.9675 | 0.9966 | 0.9657 | 1.0811 |
| TG(36:0) | 1.1883 | 1.0964 | 0.6099 | 1.0425 |
| TG(49:6) | 0.8735 | 1.0789 | 1.0297 | 1.0601 |
| Thr/Ala/Pro | 2.2287 | 0.1209 | 0.8508 | 0.0851 |
| Thr/Asn | 1.7877 | 0.4120 | 1.1453 | 0.3923 |
| Thr/Asp | 2.1524 | 0.4155 | 0.6764 | 0.3717 |
| threo-1-(p-Hydroxyphenyl)propylene glycol 4^-glucoside | 0.7306 | 1.1493 | 0.9299 | 1.2800 |
| Thr/Ser | 1.8603 | 0.3591 | 1.1238 | 0.3700 |
| Thr/Ser/Ser | 0.9205 | 0.9122 | 1.0774 | 1.1164 |
| Thr/Thr | 1.9595 | 0.3591 | 0.9758 | 0.3857 |
| Thr/Thr/Ala | 1.2613 | NA | 0.6516 | NA |
| Thymidine | 0.6429 | 1.0903 | 1.2757 | 1.1103 |
| Thymidine 5^-triphosphate | 0.3399 | 1.5078 | 0.9015 | 1.2507 |
| Thymine | 0.6750 | 0.9440 | 1.5405 | 0.9489 |
| trans-Aconitic acid | 0.9932 | 0.9598 | 1.1353 | 0.9139 |
| trans-Dodec-2-enoic acid | 1.0340 | 0.9772 | 1.0063 | 0.9711 |
| trans-Tetra-dec-2-enoic acid | 1.4468 | 0.7957 | 0.8664 | 0.7421 |
| Tricosanoic acid | 0.8206 | 1.1390 | 0.8778 | 1.1028 |
| Tridecanoic acid | 1.0927 | 1.0285 | 0.9507 | 0.8972 |
| Tridecanoylglycine | 1.1626 | 0.9148 | 1.1446 | 0.5431 |
| Trifluoroacetic acid | 0.8811 | 1.0942 | 0.9483 | 1.1161 |
| Trigonelline | 1.1356 | 0.9044 | 1.1114 | 0.8034 |
| Trp/Pro/Tyr | 1.8146 | 0.4276 | 1.0804 | 0.4059 |
| Tuberculostearic acid | 0.7135 | 1.1807 | 1.0345 | 1.1668 |
| Tyrosine | 0.9092 | 1.0979 | 1.0288 | 0.9943 |
| UDP-glucose | 1.0048 | 1.0268 | 0.9794 | 0.9874 |
| Undecanedioic acid | 0.8757 | 1.0753 | 1.1534 | 0.9371 |
| Undecanoic acid | 1.0935 | 0.7976 | 1.0501 | 1.0276 |
| unstable precolibactin intermediate | 0.6253 | 1.4074 | 1.0279 | 1.0643 |
| Uplandicine | 0.8158 | 1.0956 | 1.0201 | 1.1299 |
| Ureidoisobutyric acid | 2.1647 | 0.2317 | 0.9793 | 0.2361 |
| Ureidosuccinic acid | 1.2393 | NA | 0.0429 | NA |
| Uridine | 1.5857 | 0.6097 | 0.8191 | 0.7902 |
| Uridine 5^-monophosphate | 2.5600 | 0.1924 | 0.5603 | 0.1673 |
| Uridine diphosphate glucuronic acid | 0.7927 | 1.2258 | 0.9762 | 1.0744 |
| Uridine diphosphate-N-acetylglucosamine | 1.1435 | 0.9830 | 0.9044 | 0.9213 |
| Uridine triphosphate | 1.0847 | 0.8940 | 1.0901 | 0.9030 |
| Val/Ser | 1.9252 | 0.3658 | 0.9847 | 0.4159 |
| Val/Thr | 2.2934 | 0.1590 | 0.9522 | 0.1642 |
| Vinylacetylglycine | 1.1146 | 0.8597 | 1.3054 | 0.6820 |
| Vitamin A | 0.9381 | 1.0853 | 0.9083 | 1.0889 |
| Vitisin B | 1.1641 | 0.8428 | 1.0198 | 0.9186 |
| Xanthosine | 0.3706 | 1.5996 | 0.5901 | 1.6495 |
| Xanthoxin | 0.8890 | 0.7908 | 1.1373 | 1.2200 |
| xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside | 1.0474 | 0.9061 | 0.9181 | 1.1125 |
| xi-7-Hydroxyhexadecanedioic acid | NA | 1.5063 | 0.7977 | 0.6960 |
| xi-gamma-Undecalactone | 1.1899 | 0.9208 | 0.9719 | 0.8542 |
| Xylobiose | 1.0024 | 0.9870 | 1.0639 | 0.9459 |
| Xylose | 0.9812 | 1.1175 | 0.9450 | 0.9625 |
Factors:
| F1 | Treatment:DMSO |
| F2 | Treatment:KAE609_20x_IC50 |
| F3 | Treatment:KAE609_5x_IC50 |
| F4 | Treatment:WEHI-1888504 |
