Data for (Study ST003179)

(Analysis AN005222)

Values for each metabolite have been scaled by dividing by the mean across all factors

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MetaboliteF1F2F3F4
"11,12,13-TriHOME" 1.1248 1.0275 1.0278 0.8198
"11,14,17-Eicosatrienoic acid" 0.9588 1.1313 0.9578 0.9658
1-[18-hydroxyoeoyl]-2-[18-hydroxy-linoleoyl]-sn-glycerol 1.3973 0.8182 0.8516 0.8005
"1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone" 0.6041 1.5552 0.9491 1.0236
"1,2-dibutyrin" 1.0607 0.9157 0.9596 1.0438
1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine 0.9802 1.0062 1.1415 0.8787
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserine 0.8220 0.9341 1.1680 1.1353
13-cis-Retinal 1.0084 0.9622 0.9414 1.0852
14^-apo-beta-Carotenal 0.9482 1.0675 0.9743 1.0272
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone 1.0860 0.9588 1.0192 0.9074
1-Arachidonoylglycerophosphoinositol 0.6535 1.2670 0.9424 1.2526
1-Deoxy-D-altro-heptulose 7-phosphate 1.6430 0.6659 0.7799 0.6969
1-Oleoylglycerophosphoserine 0.3119 1.4191 1.0398 1.4586
1-Oleylglycerol 0.9298 1.1450 1.0463 0.9023
1-Palmitoylglycerophosphoinositol 1.1309 0.8062 1.1770 0.8423
"(1R*,3R*,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid" 0.8957 0.9789 1.1170 1.0432
1-(sn-Glycero-3-phospho)-myo-inositol 1.0085 1.0240 0.7718 1.1928
1-Stearoylglycerophosphoglycerol 1.1580 0.8789 1.0761 0.8343
1-Stearoylglycerophosphoinositol 1.2283 0.8443 0.9630 0.8882
1-Stearoylglycerophosphoserine 0.8424 1.1214 0.9731 1.1156
1-thio-beta-D-glucose 1.4475 0.7320 0.9603 0.7111
"2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene" 0.8570 1.1432 1.0568 0.9430
"2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid" 1.2757 0.7492 1.1750 0.7081
"2,3,5-Trihydroxytoluene" 1.2064 0.9018 0.9664 0.8566
"2,3,6-Trihydroxypyridine" 0.9484 0.9773 1.0179 1.0736
"2,3-Diaminosalicylic acid" 0.9487 0.9930 1.0818 0.9936
"2,3-Dihydroxycyclopentaneundecanoic acid" 0.8917 1.0426 1.0962 1.0055
"2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehyde" 1.3473 NA 0.6336 0.7100
"2,5,6-Trihydroxy-5,6-dihydroquinoline" 1.1033 0.9666 0.9674 0.9283
"2,5-Dimethyl-1H-pyrrole" 1.1266 0.9245 0.9312 0.9754
"2,5-Dioxopentanoate" 1.0587 0.9943 1.0077 0.9197
"2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutanedioic acid" 0.4489 1.3964 0.4869 1.4841
"2,6-Dihydroxy-N-methylmyosmine" 1.2218 0.7847 1.2918 0.6277
"2,7-Anhydro-alpha-N-acetylneuraminic acid" 0.9596 1.0518 1.0005 1.0016
2-Aceto-2-hydroxybutanoic acid 0.9316 1.1207 0.9171 1.0535
2-Acetolactate 0.8174 1.1584 0.9117 1.1734
"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3" 0.9019 1.0534 1.0066 1.0708
2-amino-2-deoxy-isochorismate 0.9615 1.0369 0.9723 1.0421
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid 1.2695 0.8101 0.9718 0.8589
"2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate" 0.9629 1.0095 0.9757 1.0643
2-Amino-3-carboxymuconic acid semialdehyde 1.3623 0.7949 1.0514 0.6706
"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-2-pentyl-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid" NA 1.3286 0.0524 0.9809
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" 1.6193 0.5161 1.0675 0.5907
2-Amino-4-methylenepentanedioic acid 1.3132 0.6908 1.1001 0.7915
2-amino-4-methylphenol 1.0413 0.9284 0.9535 1.0631
2-Aminomuconic acid 1.1748 0.9261 1.0487 0.7922
2-chloro-2-iodoacetamide 0.9670 0.9555 1.1161 0.9724
"2-C-methyl-D-erythritol-2,4-cyclodiphosphate" 2.1258 0.3121 0.8876 0.2993
2-C-Methyl-D-erythritol 4-phosphate 0.0362 2.1726 0.4025 1.7099
2-Decarboxyphyllocactin 1.3118 0.7743 1.0234 0.7865
2-Dehydro-3-deoxy-D-glucarate 1.0859 0.9374 0.9245 1.0237
"2-Deoxy-2,3-dehydro-N-acetylneuraminic acid" 0.9108 1.0420 1.0074 1.0695
2^-Deoxy-5-hydroxymethylcytidine-5^-diphosphate 1.4151 0.6270 0.7288 0.5261
2-Ethylhexanoic acid 1.1214 0.8147 1.1218 0.9016
"2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid" 1.1939 0.8201 1.0341 0.8873
"(2-hydroxy-2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propoxy)sulfonic acid" 2.1413 0.1646 1.1338 0.1799
"2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}acetic acid" 1.0512 0.9863 0.9389 1.0065
2-Hydroxydecanoate 0.9094 1.0251 1.0722 1.0235
2-Hydroxyethanesulfonate 0.9770 1.0513 1.0655 0.9139
(2-hydroxyethoxy)sulfonic acid 1.1121 0.9974 0.9141 0.9391
2-Hydroxyhexadecanoic acid 1.0390 1.0159 0.9907 0.9414
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate 1.2859 0.7668 1.0177 0.8343
2-Hydroxymyristic acid 1.0247 1.0706 0.9485 0.9480
2-hydroxynonanoic acid 1.1408 1.0096 0.9042 0.8985
2^-hydroxypyridoxol 1.1296 0.9480 0.9670 0.9122
2-Hydroxystearic acid 1.0571 0.9861 0.9865 0.9512
2-hydroxytridecanoate 1.3541 0.8569 0.9784 0.6926
2-Hydroxyundecanoate 1.3661 0.9013 0.9450 0.6656
2-Keto-glutaramic acid 1.0213 1.0467 1.0533 0.8716
2-Methylhexanoic acid 1.0696 0.8174 1.1430 0.9468
2-Octenedioic acid 1.0170 1.0453 1.0370 0.8950
2-oxobut-3-enanoate 1.1193 0.7229 1.1849 0.9331
2-oxopropane sulfonate 1.1247 0.9449 1.0064 0.8824
"(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate" 1.0721 1.0569 1.0215 0.8255
"2-trans,6-trans-Farnesal" 1.3816 0.6898 1.0661 0.7353
"(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol" 1.0882 0.8801 1.2001 0.8023
"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" 2.0153 0.3001 1.0031 0.3430
"3,3^-Thiobispropanoic acid" 1.2306 0.8039 1.1149 0.7737
"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" 1.0053 0.8626 1.1483 0.9820
"3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-carboxylic acid" 0.7284 1.0632 1.0955 1.2034
"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" 0.4963 1.4767 0.6664 1.5284
"3,4-Dihydroxybenzylamine" 1.1815 0.8832 1.0042 0.8705
"3,5-Di-O-galloyl-1,4-galactarolactone" 2.2936 0.3857 0.4069 0.4825
"{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl}oxidanesulfonic acid" 1.0992 0.9818 0.8387 1.0472
"3,7-Dimethyl-8,11-dioxo-dodecatrienal" 1.0968 0.9075 1.1005 0.8629
"3,7-Dimethyl-decadien-1,10-dioic acid" 0.8821 1.3449 0.9629 0.8495
"3a,7a-Dihydroxycholanoic acid" 1.5923 0.5612 1.0922 0.5568
"3a,7b,12a-Trihydroxyoxocholanyl-Glycine" 1.4104 0.7137 1.1092 0.6299
"3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate" 1.6731 0.5244 1.1274 0.4507
3-Amino-2-piperidone 1.3426 NA 0.5432 NA
"3-carboxy-2,3-dihydroxypropanoate" 1.0622 0.9534 1.0117 0.9520
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid 0.8062 1.3545 0.8440 1.0600
3-carboxy-6-(methylsulfanyl)-2-oxohexanoate 0.4842 0.9682 1.9208 0.7987
3-Dehydro-L-threonate 1.2840 0.8827 1.0093 0.7293
3-Ethylmalate 0.9797 1.0447 0.9999 0.9824
"3-Glucosyl-2,3^,4,4^,6-pentahydroxybenzophenone" 0.8311 1.1003 1.0011 1.1238
"3-Hydroxy-2-methylpyridine-4,5-dicarboxylate" 0.6111 1.4966 0.8778 1.1442
3-Hydroxyanthranilic acid 1.2020 1.0125 0.8983 0.8199
3-hydroxypalmitic acid methyl ester 1.1348 1.1379 0.8639 0.8185
3-Isopropenyl-6-oxoheptanoate 1.0149 0.9703 1.0669 0.9429
3-ketothreonate 1.2630 0.8678 1.0459 0.7356
3-Mercaptolactic acid 0.9869 0.9892 1.1296 0.8988
3-Methylbutyl glucosinolate 1.3810 NA 0.4921 NA
3-Oxododecanoic acid 1.1108 0.9604 0.9724 0.9195
3-Oxotetradecanoic acid 1.0161 0.9937 0.9564 1.0285
3-Phosphoglyceric acid 0.8844 1.1524 0.6873 1.3144
3-Propylmalate 0.9948 1.0191 0.9989 0.9890
3-Succinoylpyridine 1.0812 0.8576 1.0690 0.9651
"4,5-Dihydroorotic acid" 2.3143 0.3028 0.5915 0.3534
"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" 1.1737 0.9699 0.8323 0.9662
4-Amino-4-deoxychorismate 1.0918 0.9823 0.9705 0.9247
4-Coumaryl alcohol 1.0424 1.0304 1.0572 0.8559
4-Heptyloxyphenol 1.0020 1.0221 1.0739 0.9013
4-Hydroxybenzoic acid 1.2498 0.9327 0.7483 0.9860
4-Hydroxyhexan-3-one 0.9826 0.9600 1.0875 0.9757
4-Hydroxyphenylacetaldehyde-oxime 1.2922 0.8356 1.0158 0.7590
4-hydroxy-tridecanoic acid 1.0918 1.0853 1.0583 0.7340
4-Methoxyglucobrassicin 1.8807 0.3050 0.6067 0.4507
4-methylumbelliferyl-beta-D-cellobioside 1.0630 0.9189 1.0399 0.9573
4-O-beta-D-glucosyl-indol-3-yl formamide 1.4464 0.6850 1.1324 0.5874
4-Octylphenol 1.0533 0.9728 0.9737 0.9823
4^-Phosphopantothenate 1.9906 0.5350 0.6493 0.4950
4-Pyridoxic acid 1.2470 0.8697 0.9585 0.8424
4-toluenecarboxylate-adenylate 0.9135 1.1187 0.9728 1.0239
"5-(2^-Formylethyl)-4,6-dihydroxypicolinate" 0.7596 1.0466 1.3657 0.9082
5-Acetamidovalerate 1.2872 0.8174 1.1398 0.6599
5-Aminolevulinic acid 0.7806 1.2182 1.0218 1.0525
5beta-Cyprinolsulfate 0.9815 1.0141 1.0170 0.9936
5-Dehydro-4-deoxy-D-glucarate 1.1377 0.8903 0.9684 0.9577
5^-dehydrouridine 1.2163 NA 0.1348 NA
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid 0.8650 1.0524 1.0352 1.0923
"5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate" 1.0704 0.9986 1.0153 0.8923
5-Methyldeoxycytidine diphosphate 1.1462 0.8956 1.0126 0.8968
5-methyl-tetradecanedioic acid 0.8535 1.1884 0.9624 1.0446
"5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone" 0.8093 1.1465 1.0105 1.0972
5-Thymidylic acid 1.3351 0.7239 1.1172 0.7121
(+/-)-6-Acetonyldihydrochelerythrine 1.2955 0.7187 0.9934 0.8002
6-formylpterin 0.8124 1.4133 0.7670 1.0697
6^^-O-Malonylwistin 1.2179 NA 0.7094 NA
6-Phosphogluconic acid 1.0244 1.1342 0.7590 1.0742
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate NA 1.5100 0.1409 1.0628
"8,13-Abietadien-18-oic acid" 0.8781 1.1166 0.9916 1.0544
8-Amino-7-oxononanoate 0.9052 0.4432 1.6820 1.0012
"8-chloro-6-O-(6""-O-malonyl)-beta-D-glucoside-2-(2-phenylethyl)chromone" 1.1278 0.9256 1.1890 0.7150
9-Oxo-nonanoic acid 0.9534 1.1127 1.0018 0.9475
"a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside" 1.6721 0.5694 1.0064 0.5280
Acetoacetic acid 0.9055 1.0610 0.9796 1.0853
Acetohydroxamic Acid 1.0686 0.5153 1.8507 0.5425
Acetone cyanohydrin 1.0207 1.0689 1.1055 0.7979
acetylglutathione 1.0353 1.2453 0.8236 0.8840
Acetylphosphate 1.5802 0.7250 0.7420 0.7593
Adenosine diphosphate ribose 1.2096 0.8369 1.0581 0.8255
Adlupone 1.1756 0.7825 1.1545 0.8289
Adrenic acid 0.9483 1.0499 0.9705 1.0484
Adrenochrome 0.8901 1.0731 0.9601 1.1133
Ala/Ala/Asp/Tyr 2.1372 0.2562 0.9936 0.2340
Ala/Ala/Cys 0.6483 1.3147 0.9992 1.1550
Ala/Arg/Arg/Tyr/Tyr 1.1611 0.8846 1.0034 0.8972
Ala/Asn/Pro/Arg/Trp 1.2988 0.7087 1.0139 0.8790
Ala/Asp/Asp/Asn/Pro 1.0570 0.8991 1.1499 0.8751
Ala/Asp/Asp/Pro 1.2476 0.8908 0.7348 1.0079
Ala/Asp/Glu/Lys/Thr 0.7666 1.0900 1.0803 1.1409
Ala/Asp/Glu/Lys/Tyr 1.3423 NA 0.5436 NA
Ala/Asp/Glu/Met/Gln 1.3209 0.7401 1.1594 0.6726
Ala/Asp/Gly 1.7300 0.5063 0.9571 0.5632
Ala/Asp/Gly/Tyr 1.2435 0.7460 1.2247 0.7046
Ala/Asp/Met/Arg/Thr 1.2258 0.8119 1.1058 0.7812
Ala/Asp/Phe/Ile/Arg 0.7620 1.1234 1.1137 1.0803
Ala/Asp/Phe/Lys/Lys 1.2414 0.7416 1.1195 0.8171
Ala/Asp/Ser/Ser/Thr 1.1935 0.7919 1.1400 0.8100
Ala/Cys/Asp/Asn/Trp 0.8580 1.0397 1.0338 1.1158
Ala/Cys/Asp/Asp/Tyr 0.9853 0.7852 1.4388 0.7955
Ala/Cys/Asp/Glu 1.4311 0.5879 1.0950 0.7423
Ala/Cys/Asp/Glu/Pro 0.9490 1.1146 1.0152 0.9382
Ala/Cys/Asp/His/Arg 1.8248 0.3661 1.0835 0.4507
Ala/Cys/Asp/Lys/Ser 1.1414 NA 0.8115 NA
Ala/Cys/Asp/Met/Met 1.6787 0.4692 1.1041 0.5217
Ala/Cys/Asp/Ser/Trp 0.7314 1.1297 1.1291 1.0993
Ala/Cys/Cys/Asn/Tyr 1.5379 0.6693 1.0354 0.5782
Ala/Cys/Cys/Asp/His 2.2518 0.2964 0.7412 0.2933
Ala/Cys/Cys/Met/Met 0.7709 1.2860 0.8806 1.1389
Ala/Cys/Gln/Tyr 1.0909 0.9048 0.9931 0.9809
Ala/Cys/Glu/Met/Met 1.4224 NA 0.8942 0.3139
Ala/Cys/His/Ser/Trp 0.8475 1.1306 0.9939 1.0788
Ala/Cys/Thr/Thr/Thr 1.0764 0.8760 1.1290 0.8932
Ala/Gln/Tyr/Tyr/Tyr 0.7125 1.1165 1.1799 1.0869
Ala/Glu/Ala/Glu 1.6732 0.4444 1.1774 0.4806
Ala/Glu/Glu/Gln/Gln 0.8227 1.2192 1.0096 1.0075
Ala/Glu/Glu/Tyr 1.8088 0.5755 0.8416 0.5045
Ala/Glu/Ile/Thr 1.8855 0.3879 1.0478 0.3836
Ala/Glu/Pro 1.3329 0.7174 1.1108 0.7280
Ala/Gly 2.0970 0.3034 0.9323 0.3017
Ala/Gly/Tyr 1.6682 0.5100 1.1180 0.4810
Ala/Ile/Arg/Thr/Tyr 1.3519 NA 0.5308 NA
Ala/Ile/Ile/Gln/Val 0.8270 1.1348 1.0567 1.0392
Ala/Ile/Met/Asn/Arg 1.3675 0.7034 1.2457 0.5608
Ala/Leu/Asn/Gly 1.9187 0.0634 0.7106 0.0666
Ala/Leu/Asp/Gly 1.8737 0.3348 1.1941 0.3061
Ala/Leu/Thr/Ser 1.3666 0.6935 1.1320 0.6857
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 0.9226 1.1527 1.0110 0.9395
Ala/Met/Met/Met 1.3474 0.9604 0.9585 0.6179
Ala/Phe/Met/Pro/Arg 0.8762 1.1528 0.9295 1.0828
Ala/Ser 2.1668 0.2154 1.0152 0.2137
Ala/Ser/Ser/Ser/Thr 0.9782 1.0197 0.9671 1.0423
Ala/Thr/Thr/Ala 1.1701 0.8592 1.1184 0.7956
Ala/Thr/Val/Ser 1.6227 0.4682 1.2427 0.4588
Ala/Val/Asp/Asp 1.4836 0.5250 1.2895 0.5406
Ala/Val/Asp/Ser 1.5400 0.5773 1.1660 0.5367
Albomaculine 1.0489 0.9461 0.9703 1.0184
aldehydo-octose 8-phosphate 1.0913 1.0154 0.9938 0.8691
"alpha,alpha^-Diethyl-4,4^-bis(2-propynyloxy)stilbene" 1.2912 0.7592 1.1016 0.7510
alpha-glutamyl-L-hydroxyproline 1.4581 0.6558 1.1666 0.5668
alpha-Irone 1.2996 0.7272 1.1032 0.7701
Alpha-Ketooctanoic acid 1.1754 0.8050 1.1488 0.8123
Alpha-Linolenic acid 1.1321 0.9618 0.9974 0.8648
Amidosulfonic acid 1.0693 0.9335 1.0257 0.9484
ancymidol 1.0727 0.9232 0.9804 0.9995
Anisatin 0.9099 1.1502 0.9885 0.9814
Apiole 0.9749 1.0032 1.0161 1.0142
apo-14^-zeta-carotenal 1.0436 0.9935 0.8869 1.0614
a polyisoprenyl-major wall teichoic acid (B. subtilis 168) 1.2741 0.7732 1.0556 0.8058
Arabinonate 0.8903 1.1834 0.9506 1.0123
Arachidic acid 1.0270 0.9880 1.0509 0.9251
Arachidonic acid 0.8532 1.1769 0.9774 1.0413
Arecoline 1.0262 0.9851 1.1002 0.8798
Arg/Asn/Asp/Cys 1.7886 0.4989 1.0139 0.4357
Arg/Ile/Ile/Phe 0.8117 1.0331 1.1827 1.0354
Arg/Phe/Phe/His 0.9524 0.9011 1.2204 0.9419
Ascorbate 1.4167 0.5946 0.3693 NA
Asn/Arg/Thr/Thr/Tyr 0.7718 1.0801 1.2195 1.0047
Asn/Asp 1.6367 0.5889 0.9660 0.5961
Asn/Asp/Cys/Pro 1.2265 0.9850 0.8942 0.8188
Asn/Cys/Ser 1.0008 0.8625 1.1153 1.0211
Asn/Gly 1.5573 0.5241 1.1491 0.5837
Asn/Ile/Ile/Ser 1.1157 0.9110 1.0821 0.8526
Asn/Leu/Asn/Asp 1.1601 0.7984 1.2004 0.7877
Asn/Leu/Gln/Ser 1.2327 0.7777 1.2104 0.7016
Asn/Leu/Ser/Tyr 1.3708 0.1649 0.7840 NA
Asn/Met/Asp/Gln 1.0670 0.9528 1.0686 0.8893
Asn/Met/Cys/Gly 0.8298 1.0307 1.0194 1.1768
Asn/Met/Pro/Ser 1.2858 0.8283 1.0270 0.7636
Asn/Met/Thr/Gln 1.1888 0.7644 1.1776 0.8062
Asn/Pro/Pro 1.2647 0.8068 1.0721 0.7682
Asn/Ser 0.8174 1.0591 1.0869 1.0975
Asn/Val/Ser/Ser 1.2946 NA 0.6072 NA
Asp/Arg/Ser/Ser/Tyr 1.0223 0.9081 1.2171 0.8450
Aspartate-semialdehyde 0.8709 1.1052 0.9992 1.0678
Asp/Asn/Thr/Thr/Thr 1.3627 0.7766 1.0078 0.7321
Asp/Asp/Asn/Asn/Asn 1.9467 0.3815 1.0472 0.3090
Asp/Asp/Asp/Arg/Thr 1.2797 0.7942 1.0547 0.7782
Asp/Asp/Glu/Glu/Pro 1.3344 NA 0.5541 NA
Asp/Asp/Gly/His/Trp 1.4834 0.6392 0.8086 0.3620
Asp/Asp/Ile/Trp/Tyr 0.8985 0.9584 1.2964 0.8806
Asp/Cys/Gly 1.3938 0.6847 1.0207 0.7695
Asp/Glu/Arg/Thr/Tyr 0.8369 1.1184 1.0420 1.0570
Asp/Glu/Glu/Thr 2.0252 0.2781 1.0816 0.2734
Asp/Glu/Ile/Gln/Gln 1.7428 0.1362 1.1601 0.1381
Asp/Glu/Ile/Lys/Pro 1.6117 0.4906 1.1785 0.5153
Asp/Glu/Lys/Lys/Lys 0.9214 1.0743 1.0671 0.9635
Asp/Glu/Lys/Thr/Thr 1.0337 0.9050 1.1887 0.8613
Asp/Glu/Phe/Phe/Trp 0.6388 1.2092 0.9170 1.3554
Asp/Gly 1.6335 0.5968 1.0986 0.4598
Asp/Gly/Asn/Asn/Trp 2.1466 0.3154 0.8258 0.3299
Asp/Gly/Pro 1.1255 1.0237 1.0613 0.7476
Asp/Gly/Tyr/Tyr/Tyr 0.8064 1.1944 0.9325 1.1312
Asp/His/Met/Pro/Arg 1.1438 0.9054 1.0775 0.8254
Asp/Ile/Arg/Thr/Tyr 1.6220 0.3238 1.5313 0.3155
Asp/Ile/Ile/Met/Trp 1.1638 0.8722 1.0063 0.9030
Asp/Ile/Ile/Thr/Thr 1.3610 0.3047 0.7504 NA
Asp/Leu 1.6452 0.6041 0.9655 0.5702
Asp/Leu/Ser 2.2798 0.1349 1.0464 0.1123
Asp/Lys/Met/Gln/Thr 2.2468 0.0746 1.1849 0.0781
Asp/Met/Asp/Gly 1.2142 0.7972 0.9216 0.9956
Asp/Met/Phe/Phe 0.7882 1.0842 0.9966 1.2017
Asp/Phe/Cys/Gly 1.4550 0.7290 0.9731 0.6911
Asp/Phe/Phe/Met/Tyr 1.2868 0.3258 1.1743 0.5892
Asp/Pro/Ser 1.8682 0.3969 1.0838 0.3616
Asp/Pro/Ser/Tyr 1.2036 0.8511 1.0968 0.7807
Asp/Ser 1.8707 0.3992 0.9967 0.4432
Asp/Thr/Ser/Ser 2.1738 0.2665 0.9037 0.2648
Asp/Tyr 1.4994 0.5636 1.1339 0.4549
Azelaic acid 0.8626 1.1126 1.1062 0.9644
Behenic acid 0.4547 1.4347 1.0033 1.2890
Bendiocarb 1.1359 0.9178 0.9777 0.9233
Bile salt 1.6408 0.4958 1.1281 0.5217
Botrydial 1.0669 1.0419 1.1571 0.7117
Brassicanal B 0.9503 1.0001 1.0292 1.0369
Candimine 1.2562 NA 0.6584 NA
Capric acid 1.1631 0.7761 1.0905 0.9160
CDP-Ethanolamine 1.4718 0.7534 0.9075 0.7100
CDP-N-dimethylethanolamine 1.5971 0.8250 0.7563 0.6225
Cer(d33:1) 1.0279 1.0028 0.8912 1.0688
Cer(d34:2) 1.0142 0.9927 0.9405 1.0479
Cer(d36:1) 0.9849 0.9672 0.9440 1.1089
Cer(d38:2) 0.8603 1.0892 0.8592 1.2378
Cer(d40:1) 1.3868 0.7552 0.9039 0.8252
Cer(d40:2) 1.2166 0.9413 0.4686 1.3013
Cer(d41:2) 1.0053 1.0932 0.9137 0.9860
Chaetoglobosin A 0.6602 0.8669 1.7117 0.8744
Chelirubine 1.2377 1.1137 0.8450 0.7244
Chenodeoxyglycocholate 1.3834 0.6384 1.0992 0.7512
Chlorate 0.8140 1.1786 0.8280 1.2415
Chlorotrianisene 1.8164 0.4784 0.9562 0.4768
Cholic acid 1.8800 0.3932 1.0804 0.3530
Cidofovir 1.3155 0.9228 0.9287 0.7277
cis-Aconitic acid 1.3641 0.7726 0.8631 0.8788
cis-(homo)3aconitate 0.9377 1.0856 1.0031 0.9944
Citric acid 1.4202 1.1185 0.0956 1.2255
Cladinose 0.9314 1.0159 1.2737 0.8019
Clavulanate 1.4773 0.7003 0.9958 0.6675
coptisine 1.2317 0.8186 1.0607 0.8118
Cyclic ADP-ribose 1.2211 0.8556 1.0480 0.8016
cyclopentanehexanoic acid 1.0454 1.0482 0.8936 0.9977
"cyclopropane phosphatidylglycerol (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)" 1.4896 0.6937 0.9575 0.6960
Cys/Asn/Gln/Arg/Arg 1.0354 1.0109 0.9596 0.9823
Cys/Asp/Asp/Gly/Pro 0.8359 1.0210 1.0478 1.1501
Cys/Asp/Asp/Ser/Thr 1.2551 0.7980 1.1743 0.6876
Cys/Asp/Gly/Pro/Ser 1.5225 0.5848 1.1755 0.5431
Cys/Asp/Phe/His/Arg 1.9269 0.3424 1.0997 0.3220
Cys/Cys/Asp/Met/Pro 1.3379 0.8198 0.9371 0.7926
Cys/Cys/Asp/Met/Thr 0.8758 0.9678 1.1658 1.0320
Cys/Cys/Cys/Gly/Ser 1.7254 0.7391 0.4587 0.8350
Cys/Cys/Cys/His/Thr 0.9398 0.8240 1.4285 0.8278
Cys/Cys/Cys/Leu/Trp NA 1.4691 0.3916 1.1392
Cys/Cys/Gly/His/Arg 1.0591 0.8625 1.0485 1.0102
Cys/Cys/His/Asn/Gln 1.1994 0.8559 1.0413 0.8370
Cys/Cys/His/Gln/Gln 0.8448 1.1584 0.9179 1.1307
Cys/Cys/Leu/Met/Trp NA 1.6076 0.2861 1.1063
Cys/Cys/Met/Met/Met 1.6600 0.5052 0.7706 0.5189
Cys/Gln/Gln/Arg/Arg 2.3375 0.0952 1.0447 0.0768
Cys/Gly 1.3006 0.6816 1.1974 0.7201
Cys/Gly/Lys/Ser/Tyr 1.3119 NA 0.5841 NA
Cys/Gly/Trp/Trp/Trp 0.9407 1.0282 1.0056 1.0453
Cys/His/Asn/Ser/Ser 0.8797 1.1363 0.7938 1.2304
Cys/His/Pro/Arg/Thr 1.1583 NA 0.7889 NA
Cys/Ile/Arg/Trp/Trp 1.1847 0.9289 0.9745 0.8504
Cys/Ile/Ile/Lys/Trp 0.7481 1.2535 0.9975 1.0849
Cys/Ile/Ile/Met/Met 1.1846 0.9216 1.1025 0.7298
Cys/Met/Gln/Pro 0.6597 1.3065 0.7753 1.3719
Cys/Met/Gly/Pro 1.0793 0.8486 1.1309 0.9147
Cys/Met/Met/Phe 1.0479 1.0628 0.8777 0.9956
Cys/Phe/Gly/Asn/Trp 0.7952 1.1740 1.0107 1.0883
Cys/Ser/His 1.2415 0.6005 1.4418 0.6357
cysteine-adenylate 1.1573 NA 0.7903 NA
cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate} 0.8988 1.0518 1.0159 1.0673
demethyl-phosphinothricin 1.1411 0.6876 1.1824 0.9419
deoxypumiloside 1.8432 0.4595 1.0077 0.4085
Deoxyribose 0.9070 1.1585 0.9440 1.0216
Deoxyribose 5-phosphate 1.2660 1.0834 0.6354 0.9265
DG(11D3/11M3/0:0) 1.0399 0.8957 0.9880 1.0631
DG(11D3/11M5/0:0) 0.9765 1.1986 0.8662 0.9665
DG(11M3/9D3/0:0) 1.2904 0.8005 1.0565 0.7558
Dictyoquinazol C 1.0463 0.8962 1.0557 0.9864
Diethyl adipate 1.1336 0.9742 0.9156 0.9320
Diethyl oxalpropionate 0.9937 0.8697 1.1014 1.0373
Diethyl tartrate 0.9742 1.0026 0.9833 1.0484
Dihydroclavaminic acid 1.5376 0.5266 1.3438 0.4128
Dihydroxyacetone phosphate 0.3120 1.5665 0.2774 1.8442
Diketogulonic acid 1.2002 0.9496 0.7735 1.0100
Dimethyl adipate 1.0344 0.8137 1.2761 0.8644
Docosahexaenoic acid 0.8164 1.2454 0.9460 1.0533
Docosapentaenoic acid (22n-3) 0.8682 1.1514 1.0250 0.9993
Dodecanedioic acid 1.0640 0.9622 1.0398 0.9126
Dodecanoic acid 1.1204 0.9353 0.9917 0.9124
Dopamine 1.2890 0.7845 1.0463 0.7839
Dopaquinone 1.2129 0.7917 1.0736 0.8508
Drotaverine 0.8684 1.0386 1.0267 1.1103
dTDP 0.8364 0.8795 1.5138 0.8248
Eicosenoic acid 0.8024 1.1386 1.0692 1.0556
Epinephrine sulfate 1.1639 0.9175 1.1768 0.6871
erucamide 1.0084 1.0183 0.9677 1.0028
erythro-L-galacto-Nonulose 1.0321 1.0482 0.8156 1.0933
Erythronic acid 1.4624 0.6741 1.1536 0.5558
ethyl-(2R)-methyl-(3S)-hydroxybutanoate 1.0183 1.0039 0.9967 0.9751
Ethyl 3-oxohexanoate 1.0710 0.9451 1.0488 0.9114
Ethyladipic acid 0.9359 1.0820 0.9044 1.0990
Ethylene brassylate 0.9421 0.9610 1.0530 1.0632
Euchrenone b3 0.9488 1.0534 0.9738 1.0411
FA (19:1) 0.9336 0.9730 1.0769 1.0387
FA (23:1) 0.6530 1.2659 1.0140 1.1828
FA dioxo(10:0) 0.9467 1.1326 0.9623 0.9762
FA methyl(16:1) 1.1762 0.9287 0.9404 0.8960
FA methyl(8:0) 1.1669 0.8010 1.0881 0.8884
FA oxo(7:0) 1.1742 0.7798 1.2522 0.7357
ferric dicitrate 1.2003 0.9628 0.9605 0.8096
Ferruginol 0.8386 1.1332 0.9356 1.1464
Flavaprin 0.8189 1.1103 0.9535 1.1777
Flucythrinate 1.2469 0.8900 1.0674 0.7134
Fluocinolone 0.9265 1.0124 1.0834 1.0022
Formylglutathione 1.1083 1.0716 0.8151 0.9689
formyl-isoglutamine 1.8721 0.4166 1.0361 0.3845
Formylpyruvate 1.4902 0.7329 0.9390 0.6745
Fructose 0.9790 1.0860 0.9806 0.9614
Fructose 6-phosphate 1.0894 1.0481 0.8043 1.0284
Fucose 1-phosphate 1.9966 0.3061 0.9732 0.3920
Fumaric acid 1.3249 0.7412 1.0460 0.7797
Fumarycarnitine 0.9105 1.1152 1.0392 0.9649
Galactinoldihydrate 0.8715 1.1857 0.9255 1.0602
Galacto-2-heptulose 1.0130 1.0163 1.0948 0.8715
Galactonic acid 1.1416 0.9419 1.0059 0.8633
Galactose 0.8388 1.0712 0.9690 1.1748
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide 1.6764 0.4756 1.2222 0.4003
"GDP-3,6-dideoxy-D-galactose" 1.2461 0.8190 1.0374 0.8155
Genipin 1.1644 0.6870 1.1723 0.9215
Gentisyl alcohol 1.0682 0.9553 0.9656 0.9881
Gln/Val/Pro/Pro 1.3303 0.8285 1.0200 0.7111
Glu/Ala/Gly 1.4456 0.8118 0.8548 0.7393
Glu/Ala/Ile 1.3769 NA 0.4975 NA
Glu/Ala/Ser 1.7426 0.4594 0.9913 0.5592
Glu/Asp/Phe 1.5471 0.7877 1.0246 0.4581
Glu/Asp/Pro 1.6840 0.5172 1.0181 0.5528
Glucosamine 6-phosphate 0.6524 1.2523 0.8204 1.3909
glucosylglycerate 0.9996 1.0277 0.9679 1.0050
Glucuronic acid 0.8831 1.2264 0.7536 1.1758
Glu/Glu/Glu/Phe/Pro 0.9891 0.9543 1.1447 0.9155
Glu/Gly/Val 1.3619 0.7556 0.9642 0.7977
Glu/Leu 2.0342 0.2988 1.0396 0.2828
Glu/Lys/Met/Met/Pro 1.2557 NA 0.6591 NA
Glu/Met/Ser 0.5119 1.4876 0.6883 1.4749
Glu/Phe/Asp/Asp 0.9533 1.2579 0.9810 0.8234
Glutamate methylester 1.0372 1.0034 1.1476 0.7994
Glutamic acid 0.8180 1.1739 0.9041 1.1647
Glutamic gamma-semialdehyde 1.5065 0.5959 1.2035 0.5253
glutathione sulfinate 1.0691 0.9316 1.0303 0.9459
Glu/Thr 1.8304 0.4567 0.9481 0.4880
Glu/Thr/Val/Gly 1.2869 0.7591 1.0317 0.8268
Glu/Val/Val 1.4425 0.6775 1.0551 0.6775
Glyceraldehyde 3-phosphate 1.3315 0.5463 0.1276 NA
Glyceric acid 1.2140 0.9225 0.8438 0.9484
"Glyceric acid 1,3-biphosphate" 1.4253 0.7406 0.8788 0.8135
"Glycerol 1,3-didodecanoate 2-decanoate" 1.2905 0.8542 0.9343 0.8243
Glycerol 3-phosphate 0.5744 1.4650 0.6619 1.4406
glycero-L-galacto-Octulose 0.8522 1.0643 1.0448 1.0879
Glycerol tributanoate 1.1962 0.8540 1.0799 0.8045
Glycerol tripropanoate 0.9025 1.1334 1.0275 0.9692
Glycerophosphoglycerol 1.2088 0.9074 0.9146 0.8997
Glycine 1.0315 1.0100 0.9856 0.9624
glycyl-L-hydroxyproline 2.1504 0.2041 1.0589 0.2031
Gly/Ser 1.8181 0.4235 1.0854 0.4002
Gly/Ser/Tyr 1.3175 0.7567 1.0822 0.7377
"Gossypetin 7,4^-dimethyl ether 8-acetate" 0.7645 1.1111 0.9539 1.2490
Guanosine diphosphate mannose 1.2117 0.9756 0.9571 0.7849
"Gulono-1,4-lactone" 0.9621 1.0353 0.9839 1.0313
Heptadecanoic acid 0.6908 1.1945 0.9679 1.2499
heptaprenylphospho-beta-D-mannose 1.2056 0.8625 1.0623 0.8011
Hericenone C 1.3192 0.8451 1.0910 0.6383
hexafluorophosphate 1.0485 0.9171 1.0761 0.9421
His/Arg/Arg/Val/Trp 1.0147 1.0296 0.9763 0.9745
Hydantoin-5-propionic acid 1.7893 0.4485 1.0566 0.4426
Hydrogen phosphate 0.9815 0.9806 1.0435 1.0005
hydroxy-3-(tetradecenoyloxy)-propanoic acid 0.9552 1.0333 1.0439 0.9827
hydroxylauric acid 1.2132 0.9045 1.0107 0.8005
Hydroxymethylphosphonate 1.3406 0.7610 0.9671 0.8177
Hydroxypropionic acid 1.0885 0.9819 1.0400 0.8601
Hydroxypyruvic acid 0.9538 1.3979 0.6020 1.0617
Hymenoflorin 0.7022 1.3666 0.9169 1.0143
Hymenoxon 0.6438 1.5766 0.7991 1.0993
Hymexazol O-glucoside 1.5421 0.6873 0.9244 0.6654
Ile/Ala/Ser 1.8422 0.3977 1.0984 0.3810
Ile/Asp/Gly 1.8299 0.3939 1.0801 0.4195
Ile/Lys/Lys/Ser/Val 1.0220 0.9632 1.1025 0.9050
Ile/Met/Met 1.3839 0.6902 1.1103 0.6877
Ile/Ser/Thr 1.1753 0.8507 1.0579 0.8577
Ile/Trp 1.2895 NA 0.6140 NA
Ile/Tyr 1.0683 0.8522 1.1459 0.9108
Imidazoleacetic acid ribotide 1.7365 0.2924 0.9595 0.2944
Iminodiacetic acid 1.1921 0.8036 1.0995 0.8409
Indoleacrylic acid 1.0338 0.9344 1.0299 0.9905
Inosine 1.0254 0.9516 1.1003 0.9142
Inosinic acid 1.0531 1.1315 0.6717 1.1261
Inositol cyclic phosphate 1.1883 0.8828 1.0032 0.8631
iodovulone I 1.1310 0.8226 1.1922 0.8105
Ketoleucine 0.9845 0.8461 1.3200 0.8546
kifunensine 1.2127 0.8076 1.0766 0.8323
LacCer(d32:1) 1.0394 1.0107 0.9433 0.9934
Lactic acid 1.2911 0.7917 1.1220 0.6982
Lactosylceramide (d18:1/12:0) 0.9967 0.8720 1.1122 1.0203
lesquerolate 1.0087 0.7191 1.1451 1.1906
Leu/Ala/Ala 1.3425 NA 0.5434 NA
Leucodopachrome 0.6699 1.8370 0.6674 0.9356
Linoleic acid 1.0942 0.7824 1.0677 1.0243
Longifolonine 1.0852 0.9334 1.0009 0.9521
Lynestrenol 0.9043 1.0416 0.9875 1.0984
Lys/Arg/Arg/Arg/Arg 1.5447 0.6339 0.9397 0.7001
Lys/Gly 2.1885 0.2691 0.8932 0.2531
LysoPA(16:0) 1.9031 0.5596 0.5245 0.7118
LysoPA(18:1) 1.4607 0.8245 0.7942 0.7669
LysoPC(20:3) NA 1.2352 0.5823 0.8560
LysoPE(18:2) 1.0002 1.0622 0.9803 0.9572
LysoPE(18:3) 1.0948 0.9902 1.0892 0.7943
LysoPE(20:4) 0.8191 1.3557 0.8250 1.0604
LysoPG(16:0) 1.0939 0.9151 1.1006 0.8591
LysoPG(18:1) 0.9764 0.9748 1.0766 0.9801
LysoPG(18:2) 1.0889 0.8913 1.1218 0.8683
LysoPI(17:0) 1.2643 0.8579 0.9829 0.8068
LysoPI(20:3) 0.6792 1.2710 0.9572 1.1994
LysoPS(16:0) 0.5690 1.1831 1.1771 1.2146
LysoPS(20:4) 0.3238 1.4766 0.9281 1.4969
LysoPS(20:5) 0.3862 1.4469 0.8961 1.4754
Maleic acid homopolymer 1.0327 0.7790 1.2364 0.9409
Malic acid 1.5233 0.7670 0.8570 0.6782
Malonic semialdehyde 0.9854 1.0294 0.9777 1.0124
malyl alpha-D-glucosaminide NA 1.8255 0.1647 1.0098
mandeloylglutathione 0.8628 1.1288 0.8093 1.2448
Mannitol 0.8264 1.1311 0.9491 1.1512
Mannitol 1-phosphate 1.2113 0.9569 0.8154 0.9459
Melatonin glucuronide 0.9775 1.1174 0.9246 0.9880
Metazocine 1.0716 1.0294 0.9794 0.8958
methyl-5^-thioinosine 1.4942 0.5456 1.2442 0.5514
Methyl jasmonate 0.9297 1.1208 0.9697 1.0032
Methylmalonic acid 1.3105 0.8620 0.9525 0.7715
Met/Val 1.3069 NA 0.3862 NA
MG(14:1) 1.1112 1.1153 0.9633 0.7731
Miraxanthin-III 1.0074 0.9412 1.2318 0.8170
monic acid 0.9768 1.0338 0.9792 1.0178
monolinuron 1.1265 0.8091 1.1816 0.8407
Monomethyl sulfate 1.2939 0.8328 0.9585 0.8169
Muricatenol 1.4040 0.7805 0.8954 0.7855
mycosporine glycine 1.2436 0.8877 0.9970 0.7905
Myristic acid 0.9928 1.1187 0.9527 0.9382
N-23-dihydroxybenzoyl-L-serine 0.9936 1.2778 0.7602 0.9526
N2-Succinyl-L-glutamic acid 5-semialdehyde 0.5452 1.9995 0.5563 1.0506
"N3-fumaramoyl-L-2,3-diaminopropanoate" 1.1457 0.9609 0.9831 0.8617
N3-hydroxyethylcytosine 1.2869 0.7782 1.1056 0.7336
N4-acetyl-N4-hydroxy-1-aminopropane 1.3496 0.7528 1.0027 0.7783
N-(4-oxoglutaryl)-L-cysteinylglycine 1.6603 0.6126 0.9632 0.5438
N-Acetylanthranilate 1.0597 0.9135 1.0036 1.0032
N-Acetylasparagine 1.3691 0.8369 0.8803 0.7906
N-Acetylaspartylglutamic acid 1.2743 0.8838 0.8992 0.8512
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucine 0.6925 1.2103 0.9054 1.2943
N-Acetyl-D-glucosaminate 0.9668 1.0501 0.9324 1.0618
N-Acetyl-D-Glucosamine 6-Phosphate 1.0969 0.9147 0.8599 1.0962
N-Acetylglutamic acid 0.9555 1.0867 0.9126 1.0600
N-Acetyl-L-aspartic acid 1.3155 0.8063 1.0001 0.7730
N-Acetyl-L-methionine 1.1464 0.8256 1.3038 0.6753
N-Acetyl-S-(N-methylcarbamoyl)cysteine 1.0127 1.0289 0.9909 0.9633
NAD stem group 1.6518 0.6137 1.0214 0.4959
Narceine 1.9748 0.3569 1.0544 0.2890
N-Benzyloxycarbonylglycine 1.0745 0.9836 1.0114 0.9058
N-(butyryl)-L-homoserine 1.4369 0.5755 1.3209 0.5211
N-Decanoylglycine 1.0366 0.6503 1.2114 1.0895
Neodulin 1.2419 0.8858 0.9185 0.8732
Nervonic acid 0.6869 1.3390 0.8609 1.2175
N-Formimino-L-glutamate 1.4299 0.5345 1.2258 0.6665
N-Gluconyl ethanolamine phosphate 0.5936 1.4435 0.5546 1.5437
nhatrangin B 1.7208 0.2914 0.2751 NA
N-Hydroxy-L-tyrosine 0.7799 1.4118 0.8414 1.0403
nicotinamide guanine dinucleotide 1.6361 0.6632 0.9259 0.5627
nicotinic acid N-oxide 1.0085 0.9617 0.9651 1.0619
Nitroethane 1.0879 0.8849 1.1794 0.8185
N-Lignoceroylsphingosine 1.2780 0.9191 0.8784 0.8318
N-methylmaleimide 1.0607 0.9022 1.0344 0.9824
"N,N-Dihydroxy-L-tyrosine" 1.1958 0.7981 1.1065 0.8343
"N,N-Dimethylsphingosine" 0.5804 1.2397 1.0569 1.2628
N-Nitrosoproline 1.1820 0.7915 1.0575 0.9083
N-Nonanoylglycine 0.9558 0.6352 1.2414 1.1823
nocardicin E 0.6317 1.5442 0.7315 1.2153
nocardicin G 0.9037 1.0530 0.9631 1.1124
N-Oleoylethanolamine 0.6233 1.1945 1.0643 1.2434
Nonate 1.0416 0.7617 1.3979 0.7849
Norepinephrine sulfate 0.4489 1.6284 0.7322 1.3741
N-Palmitoylsphingosine 1.0365 0.9578 0.7615 1.2320
N-Succinyl-L-glutamate 1.3648 0.7800 1.0890 0.6446
O-Acetylserine 1.1278 0.9136 1.2008 0.7153
Oleoyl-CoA 1.3892 0.7436 1.1208 0.6167
Orotic acid 1.6328 0.4766 1.1265 0.5531
Orotidine 1.1263 0.9054 1.0042 0.9220
Oxamate 0.8963 1.1430 0.9505 1.0447
Oxoglutaric acid 1.9452 0.5970 0.5754 0.5673
PA(32:1) 1.6754 0.7079 0.7350 0.6567
PA(33:1) 1.7156 0.6557 0.7250 0.6652
PA(34:1) 1.3448 0.7989 1.0679 0.6735
PA(38:6) 1.4409 0.8275 0.7727 0.8119
Palmitoleic acid 1.3127 0.8437 0.9395 0.8000
Palmitoylethanolamide 0.6734 1.2155 0.9643 1.2556
p-aminobenzoyl glutamate 1.0299 1.1012 0.8687 0.9903
Pantetheine 4^-phosphate 0.9090 0.8368 1.5070 0.7775
PC(31:1) 1.0422 1.0383 0.9419 0.9635
PC(31:3) 1.0099 0.9340 1.1888 0.8639
PC(33:2) 1.0917 0.9863 0.9726 0.9188
"PC(DiMe(11,3)/MonoMe(11,3))" 1.3059 0.8696 0.8176 0.9049
P-DPD 1.5330 0.7595 0.7763 0.7536
PE(30:4) 1.0714 0.9746 0.9308 0.9993
PE(34:3) 1.1466 0.9204 0.9613 0.9229
PE(36:5) 1.0233 1.0534 0.9888 0.9267
PE(38:3) 1.1768 0.9072 1.1463 0.7107
PE(P-36:3) 0.9487 1.0988 1.0444 0.9252
PE(P-36:4) 0.9630 1.0148 1.0023 1.0322
PE(P-38:5) 1.1765 0.9034 0.9686 0.8926
peroxysulfate 0.8268 0.9806 1.1598 1.0905
PG(17:0) 1.2082 0.7997 1.1829 0.7398
PG(33:1) 1.6087 0.5708 1.0130 0.6046
PG(33:2) 1.4409 0.6921 0.9306 0.7895
PG(34:2) 1.6284 0.4514 0.9419 0.7687
PG(34:3) 1.4554 0.7761 1.1081 0.5086
PG(35:1) 1.9253 0.4824 0.8080 0.4759
PG(35:2) 1.6684 0.5708 0.9172 0.6209
PG(35:3) 1.6219 0.6193 0.9217 0.6298
PG(37:5) 1.4345 0.7181 0.9211 0.7816
PG(40:10) 0.8751 1.3880 0.8224 0.9562
Phe/Asp 1.9731 0.3625 0.9896 0.3505
Phe/His/His/His/Pro 0.6620 1.2183 1.1283 1.1042
Phe/Lys/Met/Arg/Arg 0.9065 1.1139 0.9310 1.0799
Phenethylamine glucuronide 0.8376 1.3509 0.8135 1.0522
Phenolsulfonphthalein 1.3654 0.7349 1.0776 0.7004
Phe/Pro/Pro/Thr/Trp 0.6005 1.1916 1.0472 1.2939
PHHdiA-PE 0.7411 1.3493 0.4499 0.9204
PHODiA-PE 0.6516 1.6824 0.6168 1.1653
Phosphodimethylethanolamine 0.9541 0.9004 1.2521 0.9087
Phosphoenolpyruvic acid NA 1.0704 0.5630 1.2209
Phosphoserine 1.5161 0.7239 0.9343 0.6537
Phyllospadine 0.9060 1.1310 0.9595 1.0349
PI(16:1) 1.0784 0.8441 1.2252 0.8261
PI(18:2) 0.7019 1.2009 1.0987 1.0980
PI(18:3) 0.9025 0.8908 1.2170 1.0223
PI(20:5) 0.9001 0.9790 1.1232 1.0309
PI(34:1) 1.0031 1.0354 0.9288 1.0317
PI(36:2) 0.9686 1.0887 0.7399 1.2133
PI(38:4) 0.8225 1.3379 0.8631 1.0356
P-IsoPGF2-PC 1.2446 0.8343 0.9991 0.8405
Plaunol D 0.8095 1.0582 1.0062 1.1897
"Polyethylene, oxidized" 1.1580 1.1024 0.8308 0.8561
Ponatinib 1.7685 0.5169 0.8957 0.5626
potassium dihydrogen phosphate 0.9690 1.1420 1.1010 0.7983
Proacacipetalin 0.9178 1.1043 1.0807 0.9246
PS(18:3) 0.4449 1.3141 1.0550 1.3710
PS(36:2) 1.0693 1.0170 0.9743 0.9163
PS(40:6) 0.9616 1.1742 0.7629 1.1141
Pseudouridine 1.0119 0.9321 1.2914 0.7606
PS(O-34:1) 0.8826 0.9751 1.1401 1.0413
PS(O-36:2) 0.8387 1.0712 1.0437 1.1000
PS(O-42:2) 0.9246 1.0516 0.9663 1.0827
PS(P-34:0) 0.9479 1.1124 0.9280 1.0290
PS(P-42:1) 0.9260 1.0533 0.9678 1.0775
Pyrimidine 5^-deoxynucleotide 0.9737 0.9438 1.1143 0.9769
Pyroglutamic acid 1.1673 0.9231 1.0895 0.7644
Pyrophosphate 1.0146 0.9874 1.0018 0.9914
Pyruvaldehyde 0.7406 1.6813 0.6800 0.9845
Pyruvate oxime 0.8458 1.2296 0.9462 1.0298
Pyruvic acid 1.8982 0.4053 1.0010 0.3961
Quinic acid 0.8847 1.0440 0.9778 1.1319
Reduced coenzyme F420 1.5359 0.6333 0.6627 0.6175
Reticuline 1.0144 1.0202 0.9177 1.0428
Ribose 1.1370 0.9250 1.0340 0.8584
Ribose 5-phosphate 1.3021 0.9843 0.7469 0.8660
Rishitin 1.0196 0.9830 0.9979 0.9929
Rugosal 0.6108 1.3369 0.7129 1.0273
Sarcinic acid 0.9354 1.1597 0.9501 0.9764
Secobarbital 0.9728 1.0571 0.9912 0.9880
Sedoheptulose 7-phosphate(2-) 1.7728 0.5125 0.9929 0.4643
Ser/Ser/Ser/Thr/Thr 1.5024 0.6782 1.0098 0.6421
"(S,E)-Zearalenone" 1.0094 0.9076 1.1081 0.9716
sinapoyltyramine 0.8647 0.9430 1.1294 1.1080
Sphingosine 1-phosphate 1.0947 0.9729 1.1056 0.7953
Stearic acid 0.5081 1.3513 0.9960 1.3086
Succinic acid 0.8553 1.1070 0.9727 1.1131
Succinyladenosine 1.3531 0.7659 0.9822 0.7811
Sulfate 1.0671 1.1117 0.7121 1.0868
Sulfinpyrazone sulfide 1.2431 0.8216 1.0273 0.8268
Sulfoacetaldehyde 1.1737 0.9326 0.9367 0.8990
Sulforhodamine B 1.8148 0.6162 0.7501 0.5472
Talbutal 1.0320 0.9546 1.1140 0.8887
Tauro-b-muricholic acid 1.2161 0.8028 0.9916 0.9175
Taurohyocholate 1.2627 0.6879 1.2210 0.7408
Tetracosanoic acid 0.7505 1.1019 0.9868 1.2440
Tetranor-PGF1alpha 1.0315 1.0625 1.0296 0.8660
TG(36:0) 1.1652 1.0750 0.5980 1.1067
TG(49:6) 0.8815 1.0887 1.0390 1.0303
Thr/Ala/Pro 2.2020 0.1194 0.8406 0.1559
Thr/Asn 1.7856 0.4116 1.1440 0.3970
Thr/Asp 2.1219 0.4096 0.6668 0.4278
threo-1-(p-Hydroxyphenyl)propylene glycol 4^-glucoside 0.7423 1.1677 0.9448 1.2311
Thr/Ser 1.8762 0.3622 1.1335 0.3360
Thr/Ser/Ser 0.9360 0.9275 1.0955 1.0623
Thr/Thr 1.9623 0.3597 0.9772 0.3801
Thr/Thr/Ala 1.2613 NA 0.6516 NA
Thymidine 0.6421 1.0889 1.2741 1.1142
Thymidine 5^-triphosphate 0.3326 1.4756 0.8822 1.3095
Thymine 0.6681 0.9343 1.5247 0.9835
trans-Aconitic acid 0.9627 0.9302 1.1003 1.0192
trans-Dodec-2-enoic acid 1.0320 0.9753 1.0043 0.9777
trans-Tetra-dec-2-enoic acid 1.4290 0.7859 0.8557 0.7864
Tricosanoic acid 0.7752 1.0759 0.8292 1.2447
Tridecanoic acid 1.0748 1.0116 0.9352 0.9535
Tridecanoylglycine 1.0133 0.7974 0.9976 1.1795
Trifluoroacetic acid 0.8798 1.0927 0.9469 1.1206
Trigonelline 1.1244 0.8955 1.1005 0.8381
Trp/Pro/Tyr 1.7855 0.4207 1.0630 0.4689
Tuberculostearic acid 0.7146 1.1825 1.0361 1.1619
Tyrosine 0.9259 1.1181 1.0477 0.9330
UDP-glucose 0.9948 1.0167 0.9696 1.0206
Undecanedioic acid 0.8514 1.0454 1.1215 1.0312
Undecanoic acid 1.1484 0.8376 1.1027 0.8618
unstable precolibactin intermediate 0.6106 1.3742 1.0036 1.1414
Uplandicine 0.8146 1.0941 1.0186 1.1344
Ureidoisobutyric acid 2.1723 0.2325 0.9828 0.2217
Ureidosuccinic acid 1.2393 NA 0.0429 NA
Uridine 1.6985 0.6530 0.8774 0.5382
Uridine 5^-monophosphate 2.5407 0.1910 0.5561 0.1987
Uridine diphosphate glucuronic acid 0.7968 1.2321 0.9812 1.0576
Uridine diphosphate-N-acetylglucosamine 1.1351 0.9758 0.8977 0.9463
Uridine triphosphate 1.1135 0.9177 1.1189 0.8122
Val/Ser 1.9401 0.3686 0.9923 0.3856
Val/Thr 2.2934 0.1590 0.9522 0.1642
Vinylacetylglycine 1.1162 0.8609 1.3073 0.6768
Vitamin A 0.9462 1.0947 0.9161 1.0609
Vitisin B 1.1758 0.8512 1.0300 0.8844
Xanthosine 0.3723 1.6067 0.5927 1.6376
Xanthoxin 0.9610 0.8548 1.2294 0.9678
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside 1.1668 1.0094 1.0227 0.7455
xi-7-Hydroxyhexadecanedioic acid NA 1.2828 0.6794 1.0252
xi-gamma-Undecalactone 1.1866 0.9183 0.9692 0.8637
Xylobiose 0.9881 0.9729 1.0486 0.9945
Xylose 0.9624 1.0961 0.9268 1.0272
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Treatment:DMSO
F2Treatment:KAE609_20x_IC50
F3Treatment:KAE609_5x_IC50
F4Treatment:WJM992
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