Data for (Study ST003053)

(Analysis AN005007)

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

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MetaboliteF1F2F3F4F5F6F7
11-O-Demethylpradinone I NA 0.8207 1.0424 0.5863 1.0423 1.1532 NA
13^-hydroxy-alpha-tocotrienol 2.8593 0.5649 0.1841 NA NA NA 0.1888
13-[O(2^)-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6^^)-acetate NA 0.6023 0.7233 1.7093 1.2814 0.7291 0.9394
16-bromo-7E,15E-hexadecadien-5,13-diynoic acid 0.4978 1.3557 0.7503 1.5508 0.8910 0.5854 1.4920
1,8-Diazacyclotetradecane-2,9-dione 1.5474 0.8461 0.8050 0.9388 0.8375 0.8296 1.1558
1-acyl-sn-glycero-3-phosphoglycerol (n-C18:0) 1.0326 0.6333 0.5601 1.6746 1.1435 0.7684 1.2499
1-Epideacetylbowdensine 1.9214 0.7643 0.8654 0.9783 0.6092 0.7280 1.1777
1-Epideacetylbowdensine_1 2.4683 0.7883 0.6845 0.7796 0.5240 0.7810 0.9655
1-Isothiocyanatopentane 0.9899 0.6797 0.5100 0.7274 1.6876 1.2522 1.2042
1-O-Methyl-myo-inositol 0.8979 1.0163 1.2487 1.0639 1.0746 1.0688 1.2973
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate 0.6360 1.6321 0.8857 1.6690 0.5073 0.2427 1.3172
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid 1.0083 0.9065 1.0312 0.8005 1.1182 0.8889 1.3287
20-Trihydroxy-leukotriene-B4 NA NA 0.6546 NA 0.8613 1.4812 1.0038
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran- 8-methanol diacetate NA NA 1.1770 NA 0.6096 1.1509 NA
2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one 0.2933 0.6219 1.4193 0.5346 1.1506 1.1728 1.6055
2,3-Dimethylmaleate 1.2676 0.8342 0.8109 0.9543 0.8366 0.8899 1.9505
2-(4-Methyl-5-thiazolyl)ethyl butanoate 1.5811 0.9268 0.9083 1.0518 0.8648 0.8578 1.2473
2-(4-Methyl-5-thiazolyl)ethyl butanoate_2 1.5703 0.8188 0.8312 0.9496 0.8525 0.8099 1.1285
2-(4-Methyl-5-thiazolyl)ethyl propionate 1.6454 0.8372 0.6622 0.9609 0.8298 0.7485 1.3099
2^^,6^^-Di-O-acetylononin NA 0.4084 0.8749 0.4589 1.3016 1.2549 1.9352
2,6-Dioxo-6-phenylhexanoate 0.3880 0.5091 1.4928 0.6963 1.1116 1.3667 1.5806
2,7-Anhydro-alpha-N-acetylneuraminic acid 0.6294 0.4121 0.8780 0.5646 0.6840 1.7012 1.1320
2-amino-4-oxo-6-(erythro-1^,2^,3^-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate 1.1424 1.1228 1.1133 0.7759 0.9395 0.9061 NA
2-Benzothiazolesulfonamide 2.1996 NA NA 0.8795 0.4801 NA 0.6543
2-C-Methyl-D-erythritol 4-phosphate 0.7169 0.2971 0.4391 0.2844 NA 0.3979 2.6616
2-Deoxy-D-ribose 1-phosphate 0.1622 0.9946 0.8222 2.0775 0.9650 0.7666 1.2825
2-Dodecylbenzenesulfonic acid 4.4597 1.2157 0.5350 0.2746 0.2337 0.1958 0.7792
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate 1.6721 0.9069 0.8752 1.2271 0.9733 0.7020 1.0869
2-hydroxy-4-methylthiobutanoate NA 0.6799 1.5246 0.5221 1.1027 1.3285 0.8578
2-Isopropylmaleate 1.4322 0.8743 1.2218 1.1667 0.9289 0.8596 1.2490
2-Isopropylmaleate_1 1.5601 0.8914 0.8120 0.9204 0.8477 0.8362 1.1286
2-Isopropylmaleate_2 1.5836 0.8982 0.9435 0.9602 0.8737 0.9051 1.2322
2-Methyl-4-propyl-1,3-oxathiane 1.5650 0.8451 0.7795 0.9171 0.8914 0.8190 1.1810
2-Octenedioicacid 1.4177 0.8788 1.1179 1.2216 0.9584 0.9648 1.1832
2-Octenedioicacid_1 1.9865 0.9169 0.8182 0.9043 0.7989 0.7304 1.1602
2-Octenedioicacid_2 1.4518 0.8645 0.9115 0.9530 0.8231 0.7981 1.2686
2-oxo-5-chloro-4-pentenoate 0.3762 1.0361 0.8852 0.2390 0.3160 1.1014 3.5001
2-oxo-8-methylthiooctanoate NA NA 0.5746 NA NA 1.4173 1.0108
2-Oxoadipate 0.8070 1.7000 0.5338 1.9725 0.7407 0.4901 1.3891
2-Oxobutanoate 0.7007 1.0252 1.4163 0.8656 1.0560 1.1518 1.3872
2-Oxobutanoate_2 0.4996 0.8583 1.0823 1.7817 1.2328 0.8482 1.4169
2-Oxobutanoate_3 0.6759 0.9773 0.7128 2.1987 1.0463 0.6887 1.1702
2-Oxoglutarate 0.3369 1.0903 1.7096 0.7847 1.1486 1.2930 1.4995
2-oxopropane sulfonate 1.5725 0.8825 0.8405 0.9149 0.9021 0.8327 1.0804
(2R,3S,6S)-2,6-diamino-3-hydroxy-diaminopimelate 0.6710 0.9753 1.4535 0.8421 0.7211 1.0944 1.3235
(2S)-2-Isopropylmalate NA NA 0.4019 NA NA NA 1.1994
(2S,4S)-Monatin 1.1043 0.7937 1.0411 0.7139 1.1853 0.9929 1.2249
(2S,4S)-Monatin_1 1.5700 0.9402 0.7436 0.8214 0.7451 1.0023 1.2366
2S-Hydroxytetradecanoic acid 1.4538 0.8775 0.8471 1.0249 0.8183 0.7908 1.2383
2S-Hydroxytetradecanoic acid_1 2.8606 0.8574 0.8907 0.7985 0.6168 0.7264 0.9252
2-trans,6-trans-Farnesal 2.6590 0.9111 0.7434 0.7684 0.6879 0.6799 1.1069
3,3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl ester 0.0666 0.1681 1.2571 0.1295 0.8229 2.0857 1.1981
3,3^-Thiobispropanoic acid 0.4024 0.5138 1.2838 0.3668 1.6383 1.4481 1.4625
3,3^-Thiobispropanoic acid_2 NA 0.1788 0.7967 0.2352 1.2839 1.8874 1.0029
3,4-Dicaffeoyl-1,5-quinolactone NA 0.2085 0.6922 0.4984 0.5543 2.7069 1.4530
3-(4-Hydroxyphenyl)pyruvate 0.3929 0.8044 1.5037 0.5575 1.1965 1.2732 1.3623
3^,5^-Cyclic AMP 0.1985 0.6881 1.0775 0.7756 1.3038 1.3656 1.2534
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid 1.6144 0.8868 0.8132 0.8654 0.8374 0.8573 1.0978
3^,5-Dihydroxy-3,4^,7-trimethoxyflavone NA NA 1.5821 0.4859 0.7015 0.7869 1.0772
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 1.5260 0.9434 0.9334 1.1169 0.8617 0.8682 1.2776
3^-Deaminofusarochromanone 1.9722 0.8208 0.7371 0.9519 0.6473 0.5877 1.1144
3-Deoxy-D-manno-octulosonate NA NA NA NA NA NA 1.0000
3-Deoxy-D-manno-octulosonate_2 NA NA 0.7634 NA 0.6614 1.7339 0.7883
3-Ethylmalate 0.4779 1.0893 1.2544 0.2753 0.9336 1.0549 3.1916
3-Hydroxyanthranilate 1.5398 0.8046 0.7973 1.0094 0.8343 0.7707 1.2856
3-Hydroxy-carbofuran 0.2592 0.6461 1.4656 0.5564 1.2680 0.9850 1.5993
3-Hydroxy-carbofuran_2 0.2424 0.7791 1.1170 0.6722 1.4813 0.9791 1.2142
3-Hydroxy-cis-5-tetradecenoylcarnitine 2.1600 0.4354 0.6501 0.8687 0.6142 0.7555 0.8903
3-Hydroxyhexobarbital 0.8492 1.0191 1.0072 0.8657 0.8830 1.1399 1.3145
3-Hydroxy-palmitic acid methyl ester 1.6594 0.8800 0.8354 0.9666 0.8044 0.7911 1.1405
3-Hydroxy-palmitic acid methyl ester_1 2.5548 0.6000 0.6778 0.8409 0.7008 0.6687 0.9426
3-Hydroxysebacicacid 1.8930 0.7569 0.9819 1.0049 0.8509 0.8769 1.3252
3-Methoxy-4-hydroxyphenylglycolaldehyde 0.3808 1.6306 1.0396 1.1969 0.5234 0.2024 2.3684
3-Methoxy-4-hydroxyphenylglycolaldehyde_2 0.0902 0.3708 1.5216 0.5266 1.2458 1.9787 1.3550
3-Methyl-2-oxobutanoic acid 0.9305 1.2671 1.2546 1.0052 0.9166 0.8976 1.3475
3-Methyl-2-oxobutanoic acid_1 1.2728 1.3533 1.0359 0.5265 0.4967 0.9998 2.0482
3-(Methylthio)propionic acid 1.2143 1.0290 0.8868 0.8665 1.2018 1.1194 1.1292
3-Oxododecanoic acid 1.8691 0.5191 0.5759 1.2161 0.4332 0.6231 3.1042
3-Oxododecanoic acid_1 1.7255 0.8839 0.7506 0.8498 0.6240 0.7846 1.3283
3-Oxohexobarbital 0.8934 0.7905 1.0908 0.8632 1.1466 0.9887 1.3025
(3S)-3-Carboxy-3-hydroxypropanoyl-CoA NA NA 1.1476 NA 0.3267 1.5894 0.9151
(3S,5R)-carbapenam 0.2363 0.3552 0.8516 1.2724 1.7322 1.8401 1.5290
3-sulfopropanoate 0.4286 0.9986 0.9627 1.2600 1.0777 0.9503 2.2210
3-ureidoacrylate 1.5550 0.8611 0.8243 0.9476 0.8232 0.7768 1.1537
4-8dimethylnonanoylcarnitine 1.4792 0.5804 1.1077 0.8382 0.7837 1.2957 1.3660
4-Aminobutanoate 1.2913 0.9096 0.9673 1.1090 0.9477 1.0582 1.2659
4^-Demethyldeoxypodophyllotoxin NA 1.6973 NA 1.0379 0.5023 NA 0.6832
4-Hydroxy-3-nitrosobenzamide 1.6473 0.8610 0.8512 0.9365 0.8230 0.7497 1.1212
4-Hydroxy-4-methylglutamate 0.6783 3.2377 0.6648 0.6509 0.2531 0.3302 1.2467
4-Hydroxy-4-methylglutamate_2 0.1687 0.9243 0.9119 1.1522 1.5588 0.9522 1.1655
4-Hydroxycinnamyl alcohol 4-D-glucoside 1.5773 0.9346 0.9675 0.8403 0.7864 0.9414 1.5435
4-Hydroxyphenylacetaldehyde 1.7907 0.9402 1.1298 0.8311 0.9250 1.0493 1.0982
4-Hydroxyphenylacetate 0.8518 0.6296 1.2075 0.7102 1.2048 1.6275 1.3789
4-Hydroxyphenylacetylglycine 0.6047 0.7684 0.6667 1.1487 1.1406 1.2029 1.4922
4-Imidazolone-5-acetate 1.6010 0.8997 1.0441 1.0441 0.8938 0.8547 1.3349
4-Imidazolone-5-acetate_1 1.6140 0.8843 0.8367 0.9519 0.7966 0.7987 1.1039
4-Imidazolone-5-propanoate 0.8185 0.9930 0.9947 0.4811 1.5761 1.3255 1.4447
4-Methyl-2-oxopentanoate 0.8312 1.4341 1.1132 1.1398 1.0722 0.8020 1.3298
4-Methyldibenzothiophene 0.9836 1.2024 0.7756 1.4012 0.8948 0.5628 1.2393
4-Methylene-L-glutamate 0.7342 1.7632 0.5564 2.0426 0.5532 0.5889 1.3672
4-Methylene-L-glutamine 0.3337 0.3454 1.7602 0.5003 1.0103 1.6078 1.3676
4-Oxoglutaramate 0.7631 3.1120 0.7874 0.8498 0.3468 0.4470 1.3770
4-Oxoglutaramate_2 0.9534 1.4200 0.8666 1.3680 0.9720 0.7666 1.3914
4-Pyridoxolactone 0.7468 0.6456 0.8330 1.0077 1.4296 1.4720 1.4497
4-Toluenesulfonamide 1.5202 0.9042 0.8618 0.9506 0.8336 0.8057 1.0858
5,6-Dihydrothymine 1.4784 0.8505 0.8483 0.9637 0.8934 0.8285 1.1106
5,6-Dihydrouracil 0.8198 0.7999 1.2579 1.0300 0.9950 1.4010 1.3962
5,6-Dihydrouracil_2 0.3618 0.8689 0.9986 1.2953 1.1035 1.1801 1.2558
5,6-Dihydrouracil_3 0.4104 1.0889 1.2583 1.0283 1.1470 1.4092 1.4925
5,6-Dihydrouracil_4 0.5748 1.0779 1.0884 0.7266 1.2072 1.6027 1.4453
5,6-Dihydrouracil_5 1.6222 0.8896 0.8087 0.9907 0.8148 0.7709 1.0881
5-Acetamidopentanoate 1.0379 1.1039 1.1219 0.8401 1.2864 1.2663 1.1204
5-Acetamidopentanoate_2 1.0325 1.0347 1.0952 0.7221 1.2872 1.0634 1.4325
5-Aminolevulinate 0.8501 1.2898 1.3885 1.1326 0.8442 0.7921 1.4131
5-Hydroxyindoleacetate 1.2892 1.3533 0.7702 1.0818 0.6389 0.6491 1.2899
5-Hydroxy-L-tryptophan 0.6990 0.7652 1.2283 1.1294 1.1116 0.9644 1.1361
5-Hydroxypentanoate 0.2963 1.1392 1.8217 1.1760 1.1490 0.9572 1.2631
5-Hydroxypyrazinamide 1.5891 0.9494 0.8098 0.9888 0.8242 0.7403 1.1085
5-Methoxytryptophan 0.7837 1.0222 0.9838 1.2340 1.0028 0.8094 1.2188
5-methylthiopentanonitrile oxide 1.4871 0.9279 1.1438 1.0132 0.8982 0.8541 1.1837
5-O-(1-Carboxyvinyl)-3-phosphoshikimate NA 2.0371 0.4793 1.1890 0.2562 NA 1.1491
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol 1.5619 0.8949 0.8380 0.8946 0.8192 0.8346 1.1933
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol_1 1.8296 0.8982 0.9261 0.9809 0.8514 0.8346 1.0857
6,7-Dimethyl-8-(1-D-ribityl)lumazine 0.3064 0.8056 1.3251 0.5207 1.3551 1.3013 1.5144
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate NA 0.6864 1.3025 0.6494 0.7261 1.0880 1.7301
6-endo-Hydroxycineole 2.2849 0.8141 0.8057 0.6996 0.5492 0.6132 1.5472
6-Hydroxy-6a,12a-dehydro-alpha-toxicarol 0.3604 0.9358 0.3525 2.2620 0.8761 1.0370 1.2350
6-Hydroxynicotinate 0.5850 0.6984 0.8769 1.4020 1.6020 0.5693 2.2119
6-Methoxy-3-(2-thiazolyl)-1H-indole 0.8838 1.0949 0.9316 1.4957 1.0436 1.2532 0.0628
6-methylthiohexylhydroximate 0.7015 1.0199 1.4299 1.1005 0.6813 0.9595 1.1432
6-Phospho-2-dehydro-D-gluconate NA 1.6363 NA 0.8182 0.3479 NA 1.2636
8-Oxodeoxycoformycin 1.6040 0.9241 0.8061 0.9235 0.7444 0.8597 1.0991
(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate 1.1577 0.8233 0.8480 1.3748 0.9673 0.7698 1.1312
acinetobactin 1.6693 0.7735 0.8868 1.1194 0.6175 0.6628 1.2106
Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer 0.4843 0.9889 0.7429 1.2234 1.4971 0.8808 1.2434
a Cysteine adduct 0.3608 1.8503 0.4931 1.8424 0.6803 0.5086 1.3528
Adenine 1.2130 1.1028 0.9191 1.6509 0.7857 0.7129 1.1396
Adenine_2 0.5507 1.0063 1.1702 1.3005 1.1731 0.9713 1.5250
Adenine_3 0.9080 1.0381 1.1835 1.8112 0.8594 0.6534 1.0572
Adenine_4 1.1420 1.2312 0.9846 1.6117 0.9516 0.6427 1.2413
ADP 1.0541 0.9922 0.9089 1.1361 1.0586 0.9451 1.4316
ADP_2 0.2983 0.8107 1.1984 1.1416 1.3111 1.4433 1.6704
Ala-Ala-Ala-Arg 0.8922 0.6463 1.6957 0.5987 0.7934 1.2390 1.1798
Ala-Asn-Asp-Pro 0.1525 1.6994 0.9951 1.5283 0.5727 0.6586 1.2421
Ala-Asp-Cys-His NA 1.4549 NA 1.6031 0.2011 NA 0.6545
Ala-Asp-Gly-Pro 0.4226 1.1420 0.4762 1.2674 1.5297 0.9523 1.2796
Ala-Asp-Gly-Pro_2 0.2178 1.2600 1.0434 0.7664 1.0691 0.9861 1.8762
Ala-Cys 0.9271 1.6527 0.6058 1.3973 0.8534 0.5157 1.0640
Ala-Gln-Pro-Pro NA 0.3277 0.4359 0.2604 1.5618 1.6317 0.8554
Ala-Glu-Ala-Glu NA NA 0.5498 1.4451 0.9600 0.8967 0.6935
Ala-Glu-Cys-Ile NA NA 0.5490 NA NA 1.6758 0.7003
Ala-Lys-Cys-His 0.6395 1.1171 1.1530 0.8994 0.9493 0.9485 1.3911
Ala-Lys-Phe-His 1.3306 0.5178 0.7592 1.2247 0.8748 1.0705 1.1358
Ala-Met-Asn-Gln NA NA NA NA NA 1.0000 NA
Ala-Ser-Tyr-Arg NA 0.1989 0.3024 1.1211 2.3588 0.8897 1.1721
Ala-Val-Gly-Pro 2.4018 0.7445 0.2509 NA NA NA 0.2057
Allogibberic acid 1.2828 0.9842 0.9216 1.0099 0.9281 0.9084 1.2802
Alloxan 1.5920 0.9800 0.7967 0.9172 0.7778 0.8556 1.1105
alpha-Irone 1.5169 0.8331 0.8478 0.9353 0.8462 0.8027 1.1784
alpha-Irone_1 3.3374 1.1424 0.6279 0.5293 0.5444 0.6647 0.8671
alpha-N-Phenylacetyl-L-glutamine 0.6406 0.7479 1.0471 0.9886 1.5091 1.0495 1.0228
alpha-Tocotrienol 3.0430 0.4773 0.1258 NA NA NA 0.1385
AMP 0.1600 0.5239 0.6898 1.0061 0.8739 0.7455 3.3877
Anthragallol 0.4645 1.6970 0.4586 1.7831 0.4015 0.3289 1.1966
Apigeninidin 2.6199 1.1800 0.5218 0.5955 0.8060 0.3383 0.9179
Arbutin 0.5350 0.9701 0.9622 0.9319 1.5238 1.1660 1.4888
(-)-Arctigenin 1.0729 1.6815 0.5140 1.1865 0.7906 0.5700 1.2461
Arg-Glu-Gln-Ile 1.3552 1.1972 0.4564 1.0448 0.4768 NA 1.1030
Arg-Leu-Lys-Asp 0.5955 0.6987 0.7616 1.1758 1.1972 1.2940 1.3696
Arg-Leu-Lys-Thr 1.6334 0.9070 0.8915 1.0379 0.9004 0.8130 1.2812
Arg-Leu-Lys-Thr_2 1.5666 0.8554 0.8100 0.9396 0.8646 0.8362 1.1320
Arg-Leu-Phe-Phe 3.2935 0.8443 0.4753 0.6039 0.4440 0.5706 0.6911
Arg-Met-Arg-His 1.1004 0.7470 0.6229 1.2929 0.7241 1.0964 1.5884
Arg-Met-Arg-His_1 2.5361 0.9648 0.6513 0.7260 0.4954 0.6022 1.0323
Artemisin 1.4698 1.0445 0.8599 0.9632 0.9431 0.8955 1.1990
Artemisin_1 1.5022 0.7155 0.8396 0.8896 0.8027 0.8634 1.3654
Ascorbalamic acid NA NA 0.8727 NA 0.2412 0.7191 1.7971
Asn-Asp-Gln-Tyr 1.5962 1.3526 0.8397 1.1984 0.5329 0.2463 1.3119
Asn-Gln-Gln-Pro 0.5083 1.2921 1.3644 1.0625 0.7405 0.7851 1.3295
Asn-Met-Phe-Val 0.3140 0.8588 1.0840 0.2571 0.1210 0.9846 2.1591
Asn-Phe-Tyr-Tyr 0.5865 0.9214 1.0968 0.8098 1.1429 1.1465 1.3949
Asn-Pro NA 0.3097 0.9489 0.4011 1.0682 1.6661 1.8080
Asn-Pro-Tyr-His NA 0.4117 0.2591 0.7775 1.7371 0.6107 1.2760
Asn-Trp-Asp-Gly NA 0.7066 1.1101 0.3900 1.4662 1.0556 1.3620
Aspartyl-L-proline 1.1407 0.8243 1.0053 0.7471 1.0092 1.2667 1.3102
Aspartyl-L-proline_1 1.5261 1.0530 0.7601 0.8890 0.6969 0.9315 1.1912
Asp-Asp-Gly-Tyr 1.6038 0.8327 0.8288 0.9524 0.8975 0.8513 1.0886
Asp-Cys-Gly-His NA 1.2137 0.3579 1.2026 0.8744 NA 1.0404
Asp-Cys-Pro-Ser NA 1.2155 NA 0.6356 1.2184 0.4448 1.1653
Asp-Cys-Ser-His 0.2433 2.1638 0.3622 2.2412 0.3966 0.2954 1.3967
Asp-Gln-Pro-Pro NA NA 1.7048 NA 0.6868 0.7608 0.7967
Asp-Leu-Asp-Pro NA NA NA 0.6066 1.3402 1.0887 0.7322
Asp-Leu-Met-Pro 1.8654 0.8323 0.6994 0.7784 0.7966 0.8541 1.1315
Asp-Met-Gln-His 1.5015 1.0425 0.3625 1.3760 0.3154 NA 1.5362
Asp-Met-Met-Trp 0.6181 1.3769 0.3492 1.6096 1.1795 0.6660 1.2678
Asp-Pro-Ser 0.5743 1.3017 0.7743 0.9639 0.9011 1.1627 1.4293
Asp-Thr-Ser-Ser 0.4873 1.4170 NA 1.1980 0.4475 NA 1.4294
ATP 0.6871 1.0767 1.0095 1.2213 1.1737 0.9969 1.4146
Bakkenolide A 1.5487 0.9020 0.8142 1.0399 0.7841 0.8537 1.1278
Benzoate 2.1884 0.9676 0.8453 1.0769 0.7735 0.7991 1.0855
beta-Citryl-L-glutamic acid 0.2461 0.4932 1.5643 0.7102 0.8154 1.1654 2.0891
beta-Cymaropyranose NA 0.2335 1.6861 0.2294 0.4482 1.6187 1.2761
Bicozamycin 1.0516 1.1603 0.7483 1.2022 0.8846 0.8964 1.0755
Bicuculline NA 1.1426 NA 1.7892 0.3301 NA 0.6508
Brassicanal B 1.4992 0.9028 0.8274 0.9441 0.8810 0.8009 1.2343
Butanoic acid 1.4676 0.9131 0.7865 0.9202 0.8560 0.8385 1.0807
Butanoic acid_1 1.3739 0.9187 1.2028 0.7782 0.9720 1.2396 1.1819
Caffeic acid 3-sulfate 0.6749 0.9461 0.9584 1.3695 1.0425 1.0087 NA
Calystegin B2 1.0435 1.5497 0.7121 1.0724 0.6943 0.5779 1.7749
Carbamoyl phosphate 1.9669 1.1489 0.5299 1.1058 0.8921 0.8151 0.0050
Castanospermine 0.3755 0.9105 1.3178 0.7382 1.9184 1.1545 1.3493
chelidamate 1.5194 0.8448 0.8171 0.9417 0.8218 0.7751 1.3149
Chondroitin 6^-sulfate 0.3167 0.9499 1.0789 0.7475 1.2438 1.2546 1.3170
Chorismate 0.3778 1.5878 0.9783 1.2126 0.5032 0.1929 2.5296
chromate 1.5876 0.8455 0.8405 0.9354 0.8055 0.7896 1.1049
Chrysosplenetin 0.9733 1.4253 0.3894 1.2249 0.6350 NA 1.2660
cis-Aconitate 0.8298 0.4546 0.6275 0.6257 0.5622 0.4415 4.2784
Citpressine I NA 0.7355 1.3763 0.2499 0.9145 1.0395 1.1623
Citrate 1.2807 0.8589 0.8795 1.4124 0.9463 0.8053 1.0799
Citrate_2 0.5989 1.0497 1.1171 1.3475 1.0928 1.0854 1.3717
Citrate_3 0.8670 0.6238 1.0445 1.2789 0.9059 0.6998 2.4935
Citrate_4 0.9916 0.8391 0.9931 1.0899 1.1500 0.9707 1.5963
Citrate_5 1.2020 1.0219 1.1454 1.1966 0.7624 1.0143 1.2391
Clodronate 1.9665 1.0249 0.6586 0.9096 0.8307 0.6097 NA
Coriandrone D 1.6263 0.8945 0.9552 1.1230 0.8577 0.8592 1.3073
CPD0-1656 0.4471 1.7162 0.5003 1.5603 0.7921 0.2715 1.9499
Crocetin 0.6407 0.8302 0.8813 1.7415 0.9754 0.6310 1.3998
Cyclic ADP-ribose 0.3582 0.8473 0.7478 1.6967 1.3202 0.6683 1.4820
Cys-Cys-Pro-Pro 0.1853 0.1205 1.3407 0.1589 1.8556 0.6484 1.5599
Cytosine 1.5006 0.8392 0.8377 1.0896 0.8491 0.7623 1.0762
dAMP 0.6046 1.2651 0.7268 1.9152 0.7890 0.5328 1.2220
Danielone 1.5038 0.9436 1.0292 0.9302 0.9152 0.9777 1.2828
D-Arabinonate 0.6731 0.7647 1.2251 0.8277 1.4035 1.3047 1.4225
D-Arabinonate_2 0.5374 0.3849 0.8651 0.5491 1.1269 1.0466 3.7314
d-biotin d-sulfoxide 1.3775 1.0729 0.7541 1.0292 0.7721 1.0028 0.9885
dCDP 0.3332 0.7080 0.4918 2.2139 0.7654 1.0149 1.4081
Decanoic acid 1.5232 0.8852 0.9769 1.0809 0.8905 0.8873 1.2099
Decanoic acid_1 4.4806 0.7006 0.3876 0.5816 0.2913 0.3226 0.7560
Decanoic acid_2 3.7453 0.6536 0.6036 0.5349 0.5001 0.6210 0.9603
Decanoic acid_3 1.5983 0.8510 0.8581 0.9172 0.8357 0.8268 1.1234
De-O-methylsimmondsin NA 0.6604 0.9191 0.1556 NA 0.7819 2.1330
Deoxyguanidinoproclavaminic acid 0.1429 0.3200 1.2132 0.4603 1.2825 1.4787 1.6127
Deoxymannojirimycin 0.5095 0.8508 1.0371 1.4249 1.0991 0.7553 1.4312
Deoxyuridine 1.5019 1.1557 0.2492 2.2111 0.4413 0.2630 1.2370
Dephospho-CoA 0.7991 0.9891 1.4447 0.5992 1.0140 0.9166 1.3164
D-Erythrose 0.5095 0.5787 1.3807 0.5621 1.9043 1.3296 1.4208
D-Erythrose_2 0.3460 1.1087 1.6026 0.7972 1.3121 1.0111 1.6462
desacetylmycothiol NA 0.1847 1.3325 0.1887 1.6165 1.5554 1.1631
D-Glucarate 0.2627 0.3065 1.4685 0.4005 1.5983 0.8515 3.3518
D-Gluconic acid 0.2298 0.2691 1.3770 0.2637 1.5105 1.6480 2.8283
D-Gluconic acid_2 0.0407 0.0968 1.2612 0.1303 1.0637 1.3575 4.7254
D-Glucono-1,5-lactone 0.2866 1.1636 0.9245 0.3681 2.1690 1.5949 1.2644
D-Glucosamine 1.1098 0.9190 0.9282 1.1667 1.1389 1.1640 1.4307
D-Glucosamine 6-phosphate NA NA NA NA NA NA 1.0000
D-Glucose 0.0784 0.1672 1.3725 0.1781 2.4485 1.8687 1.8381
D-Glucose_2 0.0402 0.1896 1.8757 0.1927 2.3509 1.7623 1.4443
D-Glucose 6-phosphate 0.6378 0.7806 1.7151 0.5737 0.8017 1.1313 1.4798
D-Glucose 6-phosphate_2 0.3544 0.6985 1.4117 1.2438 1.1830 0.6431 1.6206
D-Glycerate 1.0235 0.6162 1.4596 1.0687 1.0067 1.1204 1.4245
D-glycero-L-galacto-Octulose NA NA 0.5708 0.4513 1.8638 NA 0.7864
Diacetyl 0.4219 1.5135 1.2097 0.3850 0.3368 1.1145 2.6200
dichlorochromopyrrolate 0.5279 1.4001 0.9297 1.3879 1.0397 0.8090 0.7169
Diethyl 2-methyl-3-oxosuccinate 1.5541 0.9019 0.9148 0.9054 0.8171 0.8561 1.5218
Dihydro-4,4-dimethyl-2,3-Furandione 1.4218 1.1764 0.9049 1.2561 0.9949 0.6326 1.3032
Dihydro-NAME 0.2529 0.9517 0.3590 1.6494 1.2243 0.9913 1.2639
Dihydro-NAME_2 NA NA 1.0714 NA 1.3050 0.6546 0.9587
dihydrothymidine 0.3662 0.6209 0.7100 0.6739 1.3038 1.3842 1.3012
dihydrothymidine_2 NA 0.3013 1.1466 0.3419 0.7585 2.5027 1.2088
Dinoseb 1.4655 0.8591 0.8869 0.9357 0.8005 0.8561 1.2175
di-trans,poly-cis-undecaprenyl phosphate 3.1162 0.8213 0.7159 0.2601 0.7775 0.4106 0.3428
Dodecanoic acid 1.5937 0.8495 0.8191 0.8996 0.8334 0.8408 1.1779
Dodecanoic acid_1 1.5727 0.6265 0.9863 0.7869 0.8169 1.6243 1.2914
D-Ribose 5-phosphate 0.3851 1.0596 1.0331 1.4184 0.8245 0.6444 1.8467
D-Ribose 5-phosphate_2 NA 0.7340 0.8835 0.9522 0.9002 0.6977 2.1099
D-Sedoheptulose 7-phosphate 0.3105 1.0313 1.0242 1.4648 1.2384 0.5286 1.5362
dTDP 0.2854 0.6498 0.9294 1.1512 0.7386 0.7481 2.5202
dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose 0.1544 0.9936 1.4447 0.7779 1.2831 1.1349 NA
dTTP 0.1152 0.4874 1.0142 1.0946 1.2901 1.3320 1.5937
Edifenphos NA 1.1408 0.9669 0.5376 0.2648 1.1855 1.9608
Elenaic acid 1.4845 0.9365 1.0736 1.0881 0.8805 0.9275 1.3316
Elenaic acid_1 1.7243 0.9519 0.9990 0.9915 0.8759 0.8468 1.2208
Epicatechin 3-O-(3-O-methylgallate) 0.2921 1.3106 0.4082 1.9935 0.5784 1.1310 1.3818
Epigallocatechin 5,3^,5^-trimethyl ether 3-O-gallate 0.3207 0.3142 0.9890 0.4914 1.3955 1.6840 1.3943
Eruberin A 0.4745 1.6515 1.1452 0.1724 0.1606 1.1826 2.6175
ethyl-2-methylacetoacetate 1.3437 0.9194 1.0402 1.0064 0.9893 0.8301 1.3922
Ethyl isopropyl disulfide 0.7843 1.0608 0.4747 2.1540 1.2054 0.4522 1.2742
Eugenol methyl ether 1.4521 0.8493 0.8706 1.0126 0.8440 0.7588 1.3202
[FA (11:0/2:0)] Undecanedioic acid 1.0943 0.8162 0.6584 0.9757 1.5156 1.0409 1.1871
[FA (11:0)] undecanoic acid 1.5890 0.8296 0.8524 0.9359 0.8615 0.8422 1.1137
FA (12:1) Decenedioic acid 1.3484 0.9887 1.3933 1.0347 0.9454 0.7495 1.1848
FA (14:1) tetradecenoic acid 1.2605 0.5498 0.9289 0.8286 0.7222 1.5809 1.1721
FA(16:0) 1.5499 0.8759 0.8284 0.9316 0.8092 0.8262 1.1928
FA(16:0)_1 2.8859 0.8448 0.8580 0.6910 0.5725 0.8327 1.0020
FA(16:1) 1.4100 0.6812 1.2771 0.8379 0.7738 1.5920 1.2185
FA (17:0) 1.6164 0.8796 0.7897 0.9418 0.7765 0.8286 1.1826
FA (17:0)_1 4.8299 0.7874 0.3938 0.4244 0.3000 0.2667 0.6501
[FA (18:1)] 9Z-octadecenoic acid 1.4983 0.8909 0.8364 1.0023 0.8581 0.7695 1.1355
[FA (18:1)] 9Z-octadecenoic acid_1 2.0459 0.7681 1.1691 0.6922 0.6692 1.2886 1.1441
FA (19:1) 2.9153 0.8737 0.6002 0.5324 0.5886 0.6724 0.7567
FA (20:0) 3.5580 2.3170 0.4589 0.2190 0.1856 0.2311 0.7032
FA (20:1) 4.1427 1.3923 0.2735 0.3301 0.2170 0.1718 0.6282
[FA (21:2)] octadecenoic Acid 2.2845 1.0895 0.5622 0.5667 0.4730 1.2033 0.7610
FA (22:1) 2.3873 1.3116 0.6111 NA 0.3458 0.3449 0.5621
[FA (5:2)] 2,4-pentadienoic acid 0.7532 1.4420 1.2461 0.5286 0.5452 1.1073 2.2185
[FA (7:0/2:0)] Heptanedioic acid 1.3296 0.8847 1.2243 1.2178 1.0061 0.8552 1.1974
[FA (7:0/2:0)] Heptanedioic acid_1 1.0830 0.9089 1.0474 0.9568 1.0310 1.0591 1.2558
[FA (7:0/2:0)] Heptanedioic acid_2 1.5213 0.9272 0.9574 1.0473 0.8865 0.8492 1.2893
FA (8:0) octanoic acid 1.5355 0.9435 0.9495 1.1145 0.9185 0.8075 1.2715
FA (8:0) octanoic acid_1 2.9012 0.8889 0.7243 0.7012 0.6623 0.7036 0.9191
FA (8:0) octanoic acid_2 1.6123 0.8243 0.7892 0.9722 0.8046 0.8456 1.1002
FA (8:1) octenal 1.9262 0.7949 0.5832 0.7682 0.5696 0.5921 2.3517
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid 1.7495 0.7350 1.1122 0.7569 0.7663 1.3503 1.2536
FA dimethyl(20:3) 2.9062 1.4380 0.5556 0.3940 0.4715 0.4475 0.7163
FA hydroxy(10:0) 1.2061 0.8519 1.0949 1.2082 1.0756 0.8493 1.4465
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol 1.3214 0.8527 1.0775 1.2919 0.8732 0.9256 1.3270
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol_2 1.7084 0.8833 0.8423 1.0663 0.7859 0.8202 1.1943
FA hydroxy(15:0) 1.6356 0.8699 0.7871 1.0440 0.7773 0.7886 1.1572
FA hydroxy(16:0)] hexadecanoic acid 1.6572 0.8725 0.8361 0.8959 0.7932 0.8119 1.1527
FA hydroxy(16:0)] hexadecanoic acid_1 2.3734 0.5778 1.0122 0.9320 0.7401 1.0090 1.1061
FA hydroxy(18:0) 2.8329 0.5965 0.6084 0.8466 0.6550 0.6628 1.0550
FA hydroxy(18:0)_1 3.1904 0.7246 0.4657 0.9490 0.7197 0.7281 0.9500
FA hydroxy(18:2) 2.3671 0.7600 0.7359 0.9469 0.7347 0.7922 1.1886
FA hydroxy(20:2) 3.3055 0.8638 0.4201 0.6387 0.5242 0.4698 0.7037
FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine lactone 0.3536 0.9311 1.4105 0.5729 1.8223 1.2136 1.5624
FA hydroxy(6:0) 0.9769 2.0148 0.9978 0.9291 1.0396 0.7878 0.9440
FA hydroxy(6:0)_2 0.3921 1.1994 1.2589 1.4280 1.0658 0.7380 1.8329
FA hydroxy(6:0)_3 0.3996 1.4358 1.1494 1.3175 1.1273 0.9607 1.4708
FA hydroxy(8:0) hydroxy-octanoic acid 1.7048 0.6796 1.3656 1.1982 1.0041 0.6470 1.0688
FA hydroxy(8:0) hydroxy-octanoic acid_2 1.4760 0.7806 0.9436 0.9282 0.8440 0.8855 1.9293
FA hydroxy(9:0) hydroxy-nonanoic acid 1.3492 1.0540 1.3192 1.1509 0.8991 0.9271 0.9374
FA methyl(12:0) dodecanoic acid 1.4986 0.8918 0.9119 1.0473 0.8392 1.0492 1.1825
FA methyl(12:0) dodecanoic acid_1 3.2055 0.6537 0.6289 0.7629 0.5415 0.8046 1.0684
FA methyl(12:0) dodecanoic acid_2 1.6145 0.8504 0.8264 0.9335 0.8028 0.8354 1.1479
FA methyl(14:0) 1.5961 0.8737 0.8471 0.9276 0.8254 0.8025 1.1584
FA methyl(14:0)_1 4.2777 0.7762 0.5345 0.5644 0.3267 0.4376 0.7620
FA methyl(14:0) dodecanedioic acid 1.6483 0.8062 0.7792 1.0449 0.7817 1.0847 1.6832
FA methyl(16:0)] tetradecanedioic acid 1.3968 0.9836 1.2107 1.0182 0.9782 0.9614 1.2757
FA methyl(16:1) 1.9289 0.7412 1.1058 0.7741 0.7530 1.2460 1.2265
FA methyl(18:0) 3.8003 1.4820 0.3809 0.1539 0.3193 0.8105 0.7352
FA methyl(6:0) 1.4713 0.9768 0.9689 1.1247 0.9541 0.8071 1.2181
FA methyl(6:0)_1 2.1350 1.0074 0.8015 0.9620 0.7906 0.7851 1.1107
FA methyl(6:0)_2 1.5095 0.9280 0.8451 0.8800 0.8404 0.6854 1.3480
FA methyl(8:0) 1.5408 0.8728 0.9370 1.0424 0.9075 0.8999 1.2481
FA methyl(8:0)_1 2.6428 0.8453 0.6729 0.7562 0.6174 0.6519 1.4852
FA methyl(8:0)_2 1.5671 0.8612 0.8176 0.9170 0.8761 0.8287 1.1477
FA oxo(12:1) 1.5585 0.8591 1.1667 0.9853 0.8831 0.8536 1.1404
FA oxo(12:1)_1 2.8972 0.9766 0.8178 0.6487 0.5799 0.7188 0.9947
FA oxo(16:0) 1.5716 0.8531 0.8523 0.9611 0.8193 0.7879 1.1454
FA oxo(16:0)_1 2.3638 0.7290 0.8340 0.8434 0.6803 0.9040 1.4377
FA oxo(18:0) 1.5446 0.8692 0.8563 0.8523 0.8586 0.8656 1.0895
FA oxo(19:0) 3.1948 0.4761 0.5325 0.6791 0.5414 0.5880 0.7840
[FA oxo(8:0)] 3-oxo-octanoic acid 1.3004 0.9080 1.1172 1.2351 0.9667 0.9218 1.2878
[FA oxo(8:0)] 3-oxo-octanoic acid_2 1.4509 0.9188 0.8237 0.9718 0.8190 0.8363 1.2481
[FA oxo(8:0)] 3-oxo-octanoic acid_3 1.3456 0.9053 1.1446 0.9687 0.9346 0.8387 1.5076
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 0.2276 0.6429 1.3428 0.7932 1.7549 1.5059 1.6205
FMN 0.7531 0.8779 1.2786 1.0934 0.8642 0.8691 1.3515
furaneol glucopyranoside 0.5230 0.8169 0.5509 1.0782 2.3439 0.2411 1.3417
[Fv trihydroxy,methyl(9:1)] 8-Chloro-5,7,4^-trihydroxy-3-C-methylflavanone 0.1460 1.0165 1.0503 0.9941 1.0854 0.9157 1.4868
Gamma-Glutamylglutamine NA 0.5139 1.6612 0.4395 0.8055 0.9859 1.7921
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide 0.3493 0.8724 1.2139 1.1754 1.1289 1.2703 0.3356
gamma-Glutamyl-S-methylcysteine sulfoxide 0.5655 1.0803 1.6364 0.4866 0.6345 0.7694 2.1032
Gamma-Glutamyltyrosine 0.4392 0.5908 1.6652 0.5050 0.8140 1.0810 1.6455
Genipin 1.5997 0.9844 1.0662 0.9841 0.8427 0.8198 1.2866
Gingerglycolipid B NA 0.1167 NA 0.1350 NA NA 1.5828
Gingerglycolipid C 2.3062 1.0094 0.7409 0.7036 0.6322 0.7003 0.8767
Glepidotin B 1.0906 0.7878 1.2600 0.6403 1.1444 0.8914 1.2472
Gln-Leu-Lys-Tyr 0.3838 1.1650 0.8013 1.2256 0.9475 0.7730 1.9384
Glu-Ala-Asp 0.3215 1.2182 0.4827 2.0502 0.7885 0.2649 2.1651
Glu-Ala-Ile NA 0.7584 1.8619 0.4422 0.9001 0.9343 1.1374
Glu-Ala-Val 0.2018 0.7138 2.0615 0.5153 1.0372 1.2084 1.3495
Glu-Asp-Met 0.2699 0.7042 1.2544 0.4439 0.9236 1.2726 1.7785
Glu-Asp-Phe 2.2383 0.4381 0.8683 0.8319 0.8028 0.8218 0.9984
Glu-Glu NA 0.4167 1.4486 NA 0.9907 1.0559 1.1175
Glu-Glu-Glu 1.6327 1.2478 0.5512 1.2279 0.5824 0.5801 1.2372
Glu-Gly-Phe NA 0.8018 1.5295 0.4604 0.9369 0.7962 1.2740
Glu-His-Thr 0.3571 1.3895 0.8582 1.1825 0.8040 1.0035 1.5404
Glu-Ile-Ile 0.7905 0.9384 1.1518 0.6145 1.1058 1.0664 1.4435
Glu-Ile-Ser 0.4050 0.7509 1.7249 0.6643 0.9665 1.1870 1.4019
Glu-Ile-Val 0.5070 0.7518 1.8247 0.5754 0.9809 1.1670 1.2575
Glu-Ile-Val_1 1.8811 1.0187 0.6529 0.8999 0.6969 0.8712 0.9724
Glu-Met 0.5009 0.8524 1.4081 0.8043 1.0940 1.1277 1.2834
Glu-Met-Met-Met 0.4422 1.5750 0.5636 0.9658 0.6387 NA 1.5284
Glu-Met-Val 0.5586 1.3715 0.9688 0.9198 0.9686 0.9969 1.2880
Glu-Ser-Val 0.6828 0.6375 1.4644 0.5662 0.8118 1.4208 1.5555
Glu-Ser-Val_2 NA 0.5187 1.3852 0.7619 0.9445 1.0105 1.2474
Glu-Thr NA 0.5335 1.0354 0.3866 0.8019 1.3966 1.2035
Glu-Thr-Thr 0.1071 1.2238 0.6127 1.0060 1.7426 0.8800 1.5703
Glycerol 1.0032 0.7586 0.9743 1.2485 0.7697 0.9970 1.8587
Glycerol triundecanoate 2.8863 0.9081 0.5166 0.3547 0.2961 NA 0.5815
Glycerophosphoglycerol NA 0.4426 0.5335 1.1575 0.5346 0.5456 3.3816
Grayanotoxin I 2.1105 0.9359 0.7693 0.8009 0.5450 0.8589 0.9727
Guanosine 0.8273 1.1991 1.0494 1.2973 0.8566 0.5121 1.3442
Heliamine 1.6383 0.6983 0.9298 0.8773 0.5366 1.0544 1.1419
Herbacetin 7-methyl ether 3-(2^^-(E)-feruloylglucoside) NA 0.7663 1.5612 0.5007 1.0936 1.0782 NA
Hexahydro-2^,4-dimethylspiro[1,3-dithiolo[4,5-c]furan-2,3^(2^H)-furan] 0.8814 NA 0.9204 0.8318 0.7349 1.5426 NA
Hexanoic acid 1.2748 0.9391 1.0574 1.2720 1.0221 0.8926 1.3082
Hexanoic acid_1 1.6425 0.8503 0.7939 0.9626 0.7991 0.8110 1.1220
Hexanoic acid_2 2.0697 0.9379 0.8537 0.8906 0.8266 0.8242 1.2913
His-Leu-Lys-Phe 2.7370 0.7313 0.6328 0.8147 0.5405 0.7189 0.7662
His-Lys-Phe-Val 2.6322 0.6563 0.6821 0.8736 0.5456 0.7314 0.8384
His-Met-Thr-Trp NA 0.5682 1.1362 0.5262 1.3510 1.0347 1.5117
homocapsaicin 2.8055 1.1532 0.5659 0.5748 0.4708 0.3765 1.0710
Homocysteinesulfinicacid NA NA 1.1330 NA 0.6463 1.0632 1.2100
Homophytanicacid 2.0679 1.3549 0.6934 0.2309 0.2662 1.6982 0.9170
Hydantoin 1.5705 0.8818 0.8571 0.9775 0.8318 0.7827 1.1040
Hydantoin-5-propionate 0.5272 1.2864 0.9363 1.2949 0.7036 1.0219 1.3062
Hydantoin-5-propionate_2 0.4185 0.9425 0.5860 1.5850 1.2197 0.8556 1.1360
Hydroxymethylphosphonate 0.3045 0.6376 1.1428 1.1730 0.7607 0.7745 2.6091
Hydroxypyruvate 0.5807 2.0852 0.5352 0.4706 2.2904 0.3686 1.5159
Ikarisoside A 1.1877 1.0514 0.9583 1.1805 0.7747 0.6604 1.2493
Ile-Ala-Ile 1.7701 1.0072 0.7235 0.9089 0.6021 0.9295 1.0782
Ile-Ala-Ser 1.3912 0.9037 0.9570 1.3762 1.0235 0.8281 0.9954
Ile-Ala-Ser_2 1.5546 0.8783 0.8067 0.9741 0.7966 0.7813 1.2751
Ile-Ala-Thr 0.8307 0.7767 0.7075 1.4076 0.9527 1.1169 1.2771
Ile-Gly-Phe NA NA 0.8268 NA 0.5810 1.7412 0.7436
Ile-Gly-Val 1.4682 0.8762 0.8327 0.8929 0.8679 0.8805 1.1007
Ile-Gly-Val_2 1.7003 0.8403 0.6914 1.0227 0.5991 0.8289 1.2174
Ile-Ile-Ser 1.5232 0.9286 0.6822 0.8690 0.7310 1.1033 1.2170
Ile-Met-Met NA 1.0264 1.2248 0.4105 0.9559 1.0266 1.2779
Ile-Met-Ser 1.4196 0.8966 0.6929 0.7034 0.6215 1.3747 1.3883
Ile-Phe 1.8387 1.0398 0.5035 1.0660 0.6630 0.7681 1.1611
Ile-Pro-Ser 0.6330 1.4357 1.3851 1.0334 0.5285 1.0099 0.9659
Ile-Ser-Ser 0.7772 1.3134 0.5096 1.1760 0.7086 1.1753 1.4531
Ile-Ser-Thr 0.6567 0.9575 1.1020 0.6851 0.8084 1.4397 1.4675
Ile-Ser-Val 0.6215 0.7601 1.2969 0.8393 0.7125 1.2694 1.6670
Ile-Tyr-Val 1.6623 0.8774 0.7737 0.9369 0.7621 0.8461 1.1131
Ile-Val-Pro-Ser 2.0427 0.9316 0.2694 1.3420 0.4973 0.6221 0.9062
Imidazol-5-yl-pyruvate 1.4958 0.9559 0.6225 1.5821 1.0062 0.8111 1.2206
Imidazole-4-acetaldehyde 1.6237 0.8390 0.8067 0.9542 0.8080 0.7997 1.1585
Imidazole-4-methanol 1.5439 0.9313 0.9238 1.0412 0.9343 0.9401 1.2210
Imidazole-4-methanol_2 1.6003 0.8309 0.8462 0.9839 0.8377 0.7818 1.0484
Iminoaspartate 0.6008 1.0234 2.0371 0.3429 0.4649 1.1902 1.4542
Indan-1-ol 0.8698 1.5945 1.0810 0.3269 0.3527 1.0869 2.7588
Indole-3-ethanol 1.5934 0.9703 0.8717 1.0253 1.0337 0.7619 1.2285
Indole-3-ethanol_2 1.5475 0.8870 0.7836 0.9298 0.8422 0.8133 1.1648
Isoferulic acid 3-sulfate 1.2184 0.9294 0.7963 1.1768 0.8629 1.0162 NA
Isovalerylglutamicacid NA 0.6648 1.0245 0.4746 1.4406 1.1317 1.3517
Isradipine NA 0.2715 0.3732 0.1002 0.1430 0.4202 4.7655
Khellin 1.9063 0.5406 NA NA NA NA 0.4041
L-2-Hydroxyphytanate 2.2029 1.1792 0.5761 0.7412 0.6903 0.6033 1.0094
Lactucin 1.5906 0.8887 0.8910 1.0752 0.9521 0.8224 1.1963
L-Alanine 1.3203 0.9096 0.9084 1.1107 1.0162 0.9894 1.2142
L-alpha-glutamyl-L-hydroxyproline NA NA NA 0.3139 1.0763 1.3045 0.3157
Lancerin 0.8935 1.5102 0.4055 1.3021 0.6271 NA 1.3488
L-Arabitol 2.0080 1.1022 1.2266 0.7784 0.3868 0.3294 1.2248
L-Aspartate 4-semialdehyde 1.0062 2.1155 0.5973 1.2439 0.8603 0.6088 1.4124
L-Aspartate 4-semialdehyde_2 0.5357 1.0777 1.5581 0.5176 1.2299 1.3915 1.5739
Lathodoratin 1.1831 1.0258 1.0696 1.1192 0.9309 0.9089 1.3232
Latia luciferin 1.5854 0.8619 0.8108 0.9252 0.8678 0.8235 1.1613
L-beta-aspartyl-L-alanine 0.1958 0.8832 1.2968 1.8315 0.7398 1.0917 0.9484
L-beta-aspartyl-L-asparticacid NA 0.5012 1.0969 0.3258 0.8010 0.9532 2.7626
L-beta-aspartyl-L-glutamicacid NA NA 0.3162 NA NA 0.4212 2.2626
L-beta-aspartyl-L-leucine 0.5783 0.8590 1.0554 0.9544 1.2247 1.0997 1.3047
L-beta-aspartyl-L-leucine_2 0.8915 0.9015 0.6884 1.5910 0.6222 1.2501 1.0737
L-Cysteate NA NA 0.4149 NA 0.6055 2.2653 0.6191
Lepidine E 0.9113 1.2120 0.8113 1.5018 0.8529 0.5171 1.2582
L-erythro-4-Hydroxyglutamate 0.6689 1.1249 0.3056 2.3468 0.4440 0.2803 1.1548
L-erythro-4-Hydroxyglutamate_2 0.3218 0.7898 1.0866 1.4524 1.0261 0.8097 1.2326
Leucyl-leucyl-norleucine 1.8162 0.8909 0.2667 1.7824 0.7022 0.3909 0.9564
L-gamma-glutamyl-L-isoleucine 0.3185 0.6817 1.9235 0.6059 0.9104 1.2471 1.1901
L-Glutamine 0.4675 1.2974 0.5159 2.2002 1.5448 0.3907 1.4174
L-Glutamine_2 0.1950 0.7764 0.6065 1.8245 1.9110 1.0202 1.5369
L-Hypoglycin 1.6268 0.9004 0.9789 0.9804 0.8625 0.7827 1.1542
L-Hypoglycin_1 1.7190 0.9216 1.0422 0.9123 0.7205 0.8700 1.3480
Limonoate D-ring-lactone NA NA NA NA NA NA 1.0000
Linoleate 1.5290 0.6714 1.2742 0.7757 0.7453 1.5874 1.2066
L-isoleucyl-L-proline 1.1066 0.9487 0.8995 1.0014 0.9044 1.0440 1.1272
L-Leucine 1.0683 1.5022 0.6679 1.5005 1.0370 0.6856 1.3658
L-Octanoylcarnitine 1.6522 0.4693 0.7006 1.0858 0.7697 1.1641 1.2112
L-Rhamnofuranose 0.5974 1.0893 1.0954 0.6447 0.4634 1.1128 2.9870
L-Rhamnofuranose_2 0.4691 0.6281 1.0898 0.8913 1.6310 1.4650 1.5581
L-Rhamnofuranose_3 0.4537 1.0360 1.1656 0.3650 0.3720 1.1655 3.7432
L-seryl-AMP NA 0.7941 1.4751 0.5960 0.6452 1.1042 1.5139
L-Threonine 1.6620 1.0973 0.4921 1.3776 1.0894 0.6729 1.0623
L-Threonine_1 2.4136 0.7221 0.5907 1.2354 0.7738 0.6516 0.9508
L-Threonine_2 0.4863 0.9845 0.9541 1.3327 1.4125 1.1720 1.3546
L-Tryptophan 0.6487 0.7993 1.2128 0.6979 1.1672 1.2414 1.3102
L-Tyrosine methyl ester 1.5465 0.8476 0.7560 0.8676 0.9071 0.7477 1.2923
Lupinisoflavone G 0.2073 0.8483 1.5468 NA 1.0733 1.0667 1.3154
Luteorin 7-(6^^^^-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside 1.3869 0.8944 0.8647 1.0249 0.9121 0.8479 1.0922
Lys-Lys-Lys-Trp 0.2365 0.5269 1.1094 0.6288 1.4227 1.2633 1.3199
Lys-Lys-Trp-Pro 3.0803 0.8080 0.4703 0.6976 0.5231 0.5864 0.7792
Lys-Lys-Tyr-Tyr 2.6840 0.9943 0.6486 0.6576 0.4928 0.5320 0.9876
LysoPA(16:0) 2.5095 1.2163 0.7141 0.6016 0.4791 0.5740 0.8738
LysoPE(0:0/14:0) 2.4829 0.6513 0.6784 0.8590 0.6486 0.7586 0.8951
LysoPE(16:0) 3.0794 0.7941 0.5733 0.6875 0.4636 0.6185 0.7114
LysoPE(16:1) 2.7940 0.7481 0.7328 0.6578 0.5720 0.6552 0.7868
Lys-Phe-Thr-Thr 2.2756 0.8394 0.7232 0.7427 0.5440 0.6858 1.1601
Magnoshinin 0.4128 1.6945 1.1015 0.1730 0.1575 1.1259 2.7798
Maleamate 0.5757 0.9686 2.0682 0.7088 0.8870 1.1125 1.2843
Maleamate_1 1.5541 0.8831 0.8202 0.8894 0.8786 0.8163 1.0994
Maleimide 1.4547 1.0053 0.7254 1.4263 1.0212 0.9053 1.1822
Maltotetraose 0.7532 0.4669 2.2849 0.5189 1.1053 0.7617 1.1454
Maltotriose 0.6388 0.4454 1.7148 0.6814 1.3876 0.7437 1.5178
melibionate NA NA 1.0095 0.4951 0.7825 0.5414 2.5620
Melicopicine 0.4674 3.1277 0.3184 0.9546 0.4989 0.3126 1.1999
mercapto-2-propanol 1.7211 0.9307 0.8973 1.0961 0.9358 0.8443 1.2619
mercapto-2-propanol_1 1.5709 0.8813 0.8002 0.9150 0.8228 0.8463 1.1041
mercapto-2-propanol_2 2.2853 1.1356 0.7343 0.8486 0.7633 0.8439 1.0082
mercapto-2-propanol_3 3.9434 0.9101 0.5226 0.5073 0.4373 0.5097 0.6869
Met-Asp-Pro NA 0.2304 0.9493 0.2940 1.0886 1.8764 0.9787
Metazocine 1.5868 0.8309 0.8148 0.9548 0.8835 0.7663 1.2408
Met-Gly 0.1415 0.5725 1.7038 0.6193 1.4324 1.3123 1.2907
Methanesulfonic acid 1.5461 0.8704 0.8403 0.9640 0.8411 0.8246 1.1106
methiin 1.0131 0.7699 1.0248 1.0096 0.9751 0.9414 1.3548
methiin_2 NA 0.4347 0.2673 1.7373 0.5582 NA 1.4155
methionol 2.3709 0.7034 0.7630 0.7378 0.7419 0.6673 1.0208
Methocarbamol 2.0920 0.9217 0.8246 0.8552 0.7655 0.8566 1.1973
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate 3.0335 0.9024 0.7652 0.7316 0.5657 0.9028 1.1540
Methylimidazole acetaldehyde 1.4767 0.9857 0.9584 1.0706 0.8862 0.8079 1.2590
Methylimidazole acetaldehyde_1 1.6232 0.8287 0.7694 0.9493 0.8732 0.8221 1.1593
Methylimidazoleacetic acid 1.5444 0.7814 0.7805 0.9788 1.1893 1.1949 1.0243
methylmethanesulfonate 1.4892 0.8795 0.8701 0.9951 0.8329 0.7825 1.2008
Methylthiomethyl 2-methylbutanethiolate 0.5048 2.3193 0.3601 2.2977 0.6249 0.3782 1.1626
Met-Met-Met-Ser 0.5586 1.9333 0.4649 1.7340 0.7143 0.1325 1.6164
Met-Phe-Asp 0.6442 1.0198 0.9707 0.9098 1.1410 1.1543 1.2136
Met-Phe-Trp NA NA 0.6814 NA 0.2078 2.1109 NA
Met-Ser-Ser 1.4160 0.9733 0.6334 1.1232 0.8845 0.8453 1.1658
Met-Trp-Asp 0.4398 0.7691 0.7741 0.1500 0.2977 1.1288 3.6464
MG(0:0/16:0/0:0) 1.9280 0.7077 1.0580 0.6149 0.6000 1.2607 1.0972
MG(0:0/22:1(13Z)/0:0) 2.5772 0.5523 0.2334 NA NA NA 0.2607
MG(0:0/24:1(15Z)/0:0) 2.5684 0.6543 0.3039 NA NA NA 0.2978
MG(18:0/0:0/0:0) 2.8342 0.7203 0.7552 0.6306 0.4994 0.6836 0.8355
Miraxanthin-I 0.7001 0.9945 0.7954 1.4590 0.7620 1.0880 NA
Myxalamid D 2.3156 0.9991 0.7171 0.6796 0.5880 0.6477 1.0704
N2-Acetyl-L-aminoadipate 0.4889 0.6671 1.1060 0.6370 1.3958 1.2996 1.0297
N2-(D-1-Carboxyethyl)-L-lysine NA 0.4142 0.9406 1.2025 1.1743 0.6627 1.8077
N2-Succinyl-L-ornithine 0.4283 0.9866 1.4043 0.7514 0.8463 1.2260 1.4762
N2-Succinyl-L-ornithine_2 0.4825 0.9130 1.0722 0.9357 0.4714 0.5919 3.0444
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate 1.1158 1.0387 0.8789 0.9430 0.7713 1.0455 1.2760
N4-(Acetyl-beta-D-glucosaminyl)asparagine 0.1876 1.2578 1.5429 0.2503 0.8875 1.4643 1.5461
N4-Acetylcytidine 0.2321 0.6161 2.5569 0.2269 0.3181 1.7885 1.3485
Nabam 0.1370 0.8284 0.6669 0.9777 0.9363 0.7582 2.6855
N-Acetyl-D-glucosaminate NA 0.2527 1.2453 0.3204 1.0654 1.5750 1.4723
N-Acetyl-D-glucosamine 6-phosphate NA 0.7727 0.7641 0.7162 NA NA 1.5898
N-acetyl -D- glucosaminitol 0.2926 0.7829 1.0007 1.7184 1.1660 0.7672 1.3628
N-Acetylgalactosaminate 0.6568 1.4639 NA 1.0237 0.4470 NA 0.9918
N-Acetylgalactosaminate_2 NA 0.5922 0.6294 0.9320 0.6305 0.5655 3.0770
N-Acetylglutamine 1.1889 1.3563 0.5390 1.2764 0.6837 1.0086 1.2626
N-Acetyl-L-glutamate 0.2025 0.4529 1.0981 0.4335 0.7311 1.3114 3.3607
N-Acetyl-L-phenylalanine 2.3324 1.3138 0.4805 0.5616 0.9024 0.9109 0.6567
N-Acetylmethionine 0.5010 1.7067 0.2030 1.0011 2.3015 0.4585 1.1015
N-Acetylmuramate NA 0.6069 0.6468 1.5030 1.1576 0.6254 0.9984
N-Acetylneuraminate NA NA 0.7694 NA NA 1.2043 1.0527
N-Acetylornithine 0.2204 0.4945 0.9608 0.5665 1.2262 1.9565 1.7668
NADH 0.2132 1.3513 0.5483 1.5299 0.8352 0.4814 1.6008
N-arachidonoyl alanine 2.0883 0.9470 0.7781 0.7451 0.6221 0.7715 1.0640
Narceine 1.4236 1.3132 NA 1.0351 0.3308 NA 0.8631
N-Carbamoyl-L-aspartate 0.2108 2.1293 0.2917 0.6335 0.7162 1.3406 1.6406
N-Carbamyl-L-glutamate 0.3785 1.8362 0.6148 1.5175 1.1078 0.4559 1.1191
N-D-Glucosylarylamine 1.6475 0.9438 1.0070 1.0991 0.8965 0.8830 1.1900
N-Formyl-L-methionine 0.8000 1.0912 0.4524 1.8132 1.1767 0.3672 1.3990
Nicotianamine 0.2183 0.5766 1.9041 0.4729 0.9795 1.6174 1.3083
N-linoleoyl taurine 1.2835 1.1657 0.8318 1.0767 0.9386 0.9089 1.0417
N-Methyl-2-pyrrolidinone 1.0783 1.9491 0.6050 1.2037 0.8660 0.6590 1.4118
Nnal-N-oxide 2.4172 1.1965 0.7289 NA 0.3303 0.3270 0.7758
N-Nitrosoproline 1.7383 2.1909 0.2339 1.5711 0.4832 0.0825 1.2612
N-stearoyl GABA 2.4912 0.8948 0.7738 0.7188 0.4838 0.7141 0.8979
nt find 1.5643 0.9362 0.6582 1.5827 0.9774 0.7042 1.2873
N-Undecylbenzenesulfonic acid 4.0885 1.0256 0.5812 0.4253 0.3940 0.2942 0.9164
Octadecanal 2.3084 0.6047 NA 1.0278 0.5957 0.3144 0.7416
Octadecanoic acid 4.8740 0.7810 0.2661 0.4770 0.2938 0.2688 0.6519
Octane-1,8-diol 1.5617 0.8542 0.8423 0.9624 0.8420 0.7347 1.1664
Octane-1,8-diol_1 1.9393 0.9318 0.8916 0.9131 0.8601 0.8352 1.2672
octulose 8-phosphate 0.2072 1.0012 1.7059 1.5339 0.8663 0.3348 1.4676
O-decanoyl-R-carnitine 0.9853 0.5308 1.1228 0.9181 0.8656 1.3873 1.2435
O-Phospho-L-serine 0.7155 1.2836 0.5953 2.3014 0.5421 0.6129 1.5943
Ophthalmicacid NA 0.5834 0.9730 0.6954 1.0125 1.2156 1.2630
Orotate 1.2462 1.4963 0.3514 0.9213 0.8734 1.1136 1.7095
Orthophosphate 1.3117 0.9568 0.8938 1.0405 0.9068 0.8816 1.1813
Orthophosphate_2 0.1736 1.3498 1.0904 1.8041 1.0195 0.8072 1.6448
Orthophosphate_3 1.4591 0.9757 0.9906 1.0436 0.9107 0.9050 1.6074
Otonecine 2.5845 0.7047 0.2368 NA NA NA 0.2986
Oxalate 0.8373 0.4388 0.6194 0.5484 0.5368 0.5808 4.7234
PA(17:0/0:0) 1.7195 1.2930 1.2017 0.4835 0.5243 0.6737 1.1391
PA(35:0) NA 0.7995 0.6730 1.1263 1.3119 0.9754 1.1518
Pantetheine NA 0.3583 1.8592 0.1587 0.8267 1.4084 1.2378
parabanate 1.6697 0.8597 0.8666 0.9446 0.8261 0.7672 1.0389
P-DPD 0.3837 1.2211 0.7243 1.3773 0.9857 0.5940 1.9518
P-DPD_2 0.5824 1.0521 0.7841 1.0924 0.9469 0.6991 1.7065
PE(38:0) 1.7036 0.8930 0.5895 0.9578 0.8456 0.7685 NA
Pentanoate 1.1611 1.8832 0.7344 0.8230 0.9620 0.9829 1.2234
Pentanoate_1 2.2109 1.5436 0.8360 0.6746 0.7662 0.9150 0.6979
Pentanoate_2 1.6641 1.2687 1.0007 1.0109 0.8060 0.9015 1.1296
PG(15:0/0:0) 1.1563 0.4414 1.5381 0.7057 0.8563 1.0576 1.3262
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol) 1.7338 0.7485 0.7360 1.1497 0.8023 0.6630 1.2221
PG(17:0) 0.7418 0.8980 1.2715 1.0318 1.0428 0.8385 1.2342
PG(19:0) 0.7512 0.6028 0.8833 1.2155 1.1183 1.1021 1.1870
PG(20:0/0:0) 0.8585 0.8669 0.5716 1.7085 1.0752 0.6727 1.2816
[PG (24:0)] 1.7780 1.0844 NA 1.0290 0.3135 NA 0.7269
PG(25:0) 2.4730 1.5101 0.3173 1.0952 0.4577 0.2015 0.9270
PG(27:0) 2.0686 1.1197 0.6070 1.0368 0.7694 0.4269 0.9621
[PG (28:0)] 1.4756 1.4565 0.7863 1.1398 0.6407 0.4444 1.0756
PG(29:0) 1.2367 1.4030 0.7358 1.3061 0.7206 0.4771 1.1610
PG(30:0) 1.2264 1.5244 1.1071 0.8163 0.6577 0.5355 1.1768
PG(31:0) 1.2186 1.3520 0.8215 1.1690 0.7632 0.5579 1.1570
PG(31:1) 1.3769 1.1135 0.6935 1.3188 0.7320 0.7042 1.0816
PG(32:0) 1.1248 1.2885 1.2583 0.7314 0.7708 0.8720 1.2720
PG(32:1) 1.6413 0.9935 0.5150 1.5222 0.7201 0.5212 1.1155
PG(33:0) 1.2943 1.3866 0.7355 1.3570 0.7440 0.5931 1.1859
PG(33:1) 1.5781 1.0946 0.6373 1.4529 0.6136 0.5387 1.1131
PG(33:2) 1.7071 0.9250 0.6956 1.2385 0.7631 0.6503 1.0270
PG(34:0) 1.1394 1.0428 0.9432 1.0494 0.7941 1.1184 1.2169
PG(35:0) 1.2896 1.2389 0.5958 1.4671 0.7081 0.6245 1.1014
PG(35:1) 1.5886 1.1679 0.6508 1.4177 0.6449 0.5295 1.0009
PGP(16:0/16:0) 1.0447 0.4939 1.6051 0.5086 0.8747 1.4139 1.0788
Phaseollidin NA NA NA NA NA NA 1.0000
Phe-Gly NA NA 0.6542 0.7512 1.5773 0.9299 1.0012
Phenol 1.6312 0.8669 0.8042 0.9371 0.8059 0.8097 1.1527
phenoxy radical VII 2.6418 0.9843 0.9342 0.7494 0.3630 0.3795 0.9303
phenoxy radical VII_1 3.5890 1.1674 0.5119 0.3430 0.3165 0.2435 0.7716
Phenyllactate 0.9110 1.3996 1.1799 1.0629 0.9668 1.1624 0.9741
Phenyllactate_2 0.3713 0.9551 1.2821 1.4538 1.0874 1.1749 1.5627
Phenyllactate_3 0.8331 2.0930 0.8795 0.9110 0.7694 0.7876 1.5293
Phenylpropanoate 0.8052 0.9903 0.9697 0.9563 0.7309 1.0947 2.5324
Phenylpropanoate_1 1.7237 1.0095 1.0535 0.5017 0.4913 1.0114 2.2562
Phenylpyruvate 0.6117 1.8723 1.7044 1.3427 0.6161 0.3046 1.3839
Phe-Tyr 1.3691 0.7753 0.6460 1.1300 0.9108 0.8565 1.1260
Phosphoenolpyruvate NA 0.8295 0.4434 1.6682 1.1927 0.6550 1.2816
Phosphophosphinate NA NA 1.2589 NA NA 1.1666 0.4328
Phthalate 1.0883 0.8002 1.0418 0.7513 0.7844 0.9926 2.0575
Phytuberin 1.5344 0.8855 0.8303 0.9438 0.8405 0.8330 1.1252
Phytuberin_1 3.6609 0.7271 0.6558 0.5081 0.5419 0.4974 0.9780
[PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1^-myo-inositol) 2.8252 0.9220 0.6794 0.6548 0.4509 0.5361 0.9087
PI(34:3) 2.2112 0.9956 0.4299 0.2692 0.3481 NA 1.2638
(+)-pinoresinol 0.7415 1.0921 1.3581 0.3941 0.9863 1.1029 1.4333
Polycarpine 0.8422 1.1581 0.5078 1.4729 1.0958 0.7001 1.2974
Polystachin (flavone) 0.4570 2.0703 0.4713 1.8128 0.6933 0.2011 1.1260
Pongamoside A 0.2833 0.4737 0.2608 0.5904 0.7292 1.3982 3.1660
Precocene 2 NA 1.1831 0.7470 NA 0.3948 0.7518 1.6257
[PR] Ketomyxol/ 2^-Hydroxyflexixanthin NA 0.7257 0.6419 1.3140 1.3059 0.7890 1.1788
Proclavaminic acid 0.3020 0.3138 0.6871 0.5813 1.5658 2.1931 1.4758
Pro-His 1.2725 0.5706 0.5518 0.8801 1.2596 1.4408 1.0327
Propyl 1-(propylsulfinyl)propyl disulfide 4.1745 1.0646 0.5674 0.4034 0.3821 0.4271 0.6095
PS(18:0) 2.6128 0.9985 0.6759 0.7572 0.4538 0.5673 0.9127
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 2.5817 0.9436 0.6491 0.7087 0.5084 0.5440 1.0861
Psorospermin NA 0.8951 NA 0.7325 1.4960 NA 0.8352
Pyrazinamide 1.5100 0.8025 0.8322 0.9436 0.8281 0.8569 1.2013
Pyrazinamide_2 1.5705 0.8993 0.8155 0.9750 0.7919 0.7666 1.1525
Pyrazinemethanethiol 1.1880 1.0661 0.5529 1.1771 0.7310 0.5184 2.0220
Pyrimidine nucleoside 0.4840 0.7560 1.2405 0.5808 1.4285 1.2812 1.3055
Pyrophosphate 1.5160 0.8771 0.8671 0.9354 0.9004 0.8136 1.1400
Pyrrole-2-carboxylate 1.3986 0.8644 1.2149 1.1564 0.9678 0.9337 1.2127
Pyrrole-2-carboxylate_2 0.7418 0.8636 1.2836 1.0049 1.0813 1.0847 1.6185
Pyrrole-2-carboxylate_3 1.4266 0.9116 1.0402 1.0535 0.8703 1.0064 1.1923
Pyruvate 1.2078 1.5599 0.8345 1.0178 0.8624 0.7079 1.2929
Pyruvate_1 1.6584 0.7832 0.8799 0.9197 0.7984 0.8199 1.1823
Pyruvate_2 0.4805 1.2658 1.8819 0.6417 0.9727 1.0219 1.4213
(R)-2,3-Dihydroxy-3-methylbutanoate 0.1956 0.6751 0.6761 0.7802 2.7203 1.2879 1.5077
(R)-2,3-Dihydroxy-3-methylpentanoate 0.1587 0.1033 3.0248 0.1697 0.1180 2.7033 1.5608
(R)-2-Hydroxyglutarate 0.0708 0.2778 1.0116 0.4826 1.6208 1.1065 3.8920
(R)-3-Hydroxybutanoate 0.2120 1.3455 0.7122 1.3552 1.2928 1.4925 1.3808
Reduced haloperidol NA 0.2109 0.7652 0.2525 1.1469 2.0595 1.2273
Retinyl ester 1.5424 0.6444 1.2218 0.7463 0.7299 1.5823 1.3084
Retronecine 1.3523 0.9226 0.9898 1.2895 0.9316 0.8648 1.3732
Retronecine_2 1.5029 0.8707 0.8013 0.9967 0.8111 0.8518 1.1461
Rishitin 1.5623 0.8447 0.8319 0.9331 0.8222 0.8071 1.1674
Rishitin_1 2.6690 0.9624 0.8062 0.6823 0.6846 0.6741 0.9651
(R,R)-Tartaric acid 0.4821 0.7926 1.4714 1.0377 0.9474 1.3181 1.6716
(R,R)-Tartaric acid_1 2.6132 0.8563 0.3502 0.3573 0.3165 0.3763 0.4566
(S)-1-Pyrroline-5-carboxylate 0.8508 0.7940 1.1104 1.0886 1.0499 1.2254 1.4506
(S)-1-Pyrroline-5-carboxylate_2 0.8933 0.8775 0.7766 1.3420 1.0035 1.2937 1.3526
(S)-2-Aceto-2-hydroxybutanoate 1.0216 1.5540 1.1028 0.4322 0.3640 1.0981 2.3924
(S)-2-Acetolactate 0.7184 0.9383 1.5078 0.8900 1.3742 0.8748 1.3098
S-(3-oxo-3-carboxy-n-propyl)cysteine NA 0.9472 NA 1.2372 1.6011 0.2224 0.7303
(S)-AMPA 0.3747 0.8096 1.1090 1.1193 0.7988 1.7362 1.0699
S-Cysteinosuccinic acid NA 0.0626 0.5334 NA 0.1089 0.7782 3.4185
Secobarbital 1.5620 0.9022 0.7980 0.9418 0.8251 0.8031 1.1293
Semilepidinoside A 1.3621 0.6488 0.5256 0.8857 0.9476 1.0898 1.0561
Senecionine 1.6032 0.7768 0.7934 0.9594 0.8527 0.8243 1.2094
Ser-Thr-Ser-Ser 0.4613 1.2195 NA 2.0663 0.4840 NA 0.6920
Shikimate 1.2437 0.8559 0.9007 1.2224 0.8932 0.9755 1.2139
Shikimate_1 1.7327 0.9661 0.8380 0.9339 0.7863 0.9036 1.1840
sinapoyltyramine 1.5461 0.8659 0.8381 0.9485 0.8576 0.7892 1.1655
sinapoyltyramine_2 1.6247 0.9093 0.9133 0.9850 0.8391 0.9120 1.2457
(S)-Lactate 0.2747 1.1549 2.0547 0.9007 0.9796 1.0465 1.4311
(S)-Malate 0.2579 0.1836 2.5077 0.2977 0.5280 2.4210 1.7332
sodium dodecyl sulfate 1.5352 0.8777 0.8464 0.9386 0.8099 0.8299 1.1540
sodium dodecyl sulfate_1 2.5241 0.7832 0.7399 0.8307 1.4248 0.3063 1.1110
S-Propyl 1-propanesulfinothioate 3.1760 1.4788 0.5244 0.5350 0.4160 0.4938 0.7312
(S)-Reticuline 1.5215 0.8734 0.8335 0.9351 0.8243 0.7948 1.1046
(S)-Reticuline_1 1.5233 1.0771 1.0514 0.8507 0.7949 0.9840 1.0794
[ST methoxy,hydroxy(3:0)] 2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronide NA 1.0026 0.7615 NA NA 0.8187 1.5563
[ST oxo(3:0)] (5Z,7E)-(3S,23S)-24-oxo-9,10-seco-5,7,10(19)-cholestatriene-3,23,25-triol 23-D-glucuronide 3.0307 1.2220 0.5019 0.2471 0.3483 0.2058 1.5924
Suberic acid 1.5365 0.8347 1.0039 1.2427 0.9838 1.0713 0.8888
Succinate 0.4687 0.3762 2.1563 0.9875 0.7726 1.5540 1.5572
Sulfate 1.0934 0.6158 0.7129 0.7690 0.7162 0.6451 3.1264
Sulfoacetaldehyde 0.8015 1.0096 0.7312 1.4204 1.0250 0.7155 1.3958
Sulfoacetate 0.7532 0.4582 0.4765 0.4388 0.4015 0.3498 5.0096
Sulmazole NA 0.8197 1.2353 0.9221 1.2185 1.3940 0.2140
Tetradecanoic acid 1.5502 0.8935 0.9619 1.0485 0.8951 0.8497 1.2289
Tetradecanoic acid_1 2.0492 0.9278 0.9106 1.0161 0.5902 1.0664 1.1502
Tetradecanoic acid_2 1.5049 0.8781 0.8491 0.9420 0.8127 0.8256 1.1902
Tetragastrin 1.0820 1.1036 0.5947 1.2859 0.9774 0.7607 1.2608
TG(53:4) 3.9907 0.7052 0.4000 0.3747 0.3253 0.2624 0.4975
TG(56:13) 1.8989 0.7223 NA 1.3251 0.5778 0.2985 0.7688
TG(56:13)_1 2.6899 0.8804 0.5051 0.9983 0.6385 0.3573 0.9074
threo-Syringoylglycerol 1.7629 0.9249 0.9147 0.9627 0.7788 0.9028 1.2068
Thr-Ser-Ser NA 0.6982 1.0462 0.6415 0.8193 0.9440 2.1344
Thr-Ser-Ser_2 NA 0.2203 0.7559 0.2588 0.4447 2.4122 0.9370
Thr-Thr-Ser 0.1899 0.8319 0.9255 0.8449 1.3675 1.4733 1.4893
Thymidine 1.6825 1.0643 0.8848 1.4093 0.3842 0.5115 1.0845
Thymine 1.5941 0.8993 0.8121 0.9220 0.8353 0.7785 1.1304
TRAM-3 0.2109 0.2877 1.7625 0.3299 1.0689 2.8215 0.0372
Trifluoroacetic acid 1.5852 0.9171 1.0309 1.0109 0.9041 0.8753 1.2078
Trifluoroacetic acid_1 1.5501 0.8756 0.8673 0.9233 0.8306 0.7768 1.1891
Trifluoroacetic acid_2 1.7602 0.8877 0.9081 0.9489 0.8884 0.8855 1.1861
Trifluoroacetic acid_3 1.5593 0.9279 0.9534 0.8870 0.8170 0.7592 1.1776
Trimethaphan 0.3933 0.8653 0.9306 1.5463 1.1308 0.6470 1.2443
Trp-Gly 0.8021 0.9744 0.9880 1.2343 1.0626 0.8220 1.1555
Trp-Tyr-Arg NA 0.4445 1.0238 0.6665 1.7111 0.8905 1.3516
Tsangane L 3-glucoside 1.2938 1.1769 0.7936 1.0189 0.8712 0.7537 1.2357
UDP 0.0956 0.8571 1.2650 1.7061 1.3131 0.9595 1.7311
UDP-glucose 0.3489 1.1037 1.2818 1.5565 0.8246 0.3648 1.6931
UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala) 0.9080 1.3602 0.2861 2.1670 0.5030 0.1202 1.8739
UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate 0.7228 0.8036 0.1601 2.2406 0.9622 0.1902 2.2275
UDP-N-acetylmuramoyl-L-alanine 0.6320 0.9349 NA 1.3779 0.1280 NA 1.3643
Uracil 1.1762 1.0865 1.1250 1.1789 0.8454 0.8952 1.0772
Uracil_1 1.5927 0.8885 0.8703 0.9502 0.8227 0.7923 1.1225
Uracil_2 2.1605 1.0152 0.7743 1.0464 0.6646 0.8253 1.2287
Urate 1.6927 0.7313 0.8611 0.8876 0.8204 0.7857 1.2276
Uridine 2.1295 0.8577 0.6846 0.9363 0.5435 0.7498 1.1314
Urocanate 1.4921 0.8907 0.8293 0.9328 0.8411 0.8345 1.1561
Urocanate_1 1.5743 0.8803 0.7974 0.9410 0.8479 0.7745 1.1490
Val-Val-Pro NA 0.6207 1.1235 0.4950 1.4595 1.0332 1.3574
vanillylamine 1.2345 0.9714 1.0816 1.0213 0.9301 0.9432 1.2661
Vinylacetylglycine 1.1964 1.5182 0.8647 1.2212 0.8623 0.6290 1.4578
(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid 1.4475 0.9647 0.8398 1.1893 1.0971 0.8794 1.2930
Zanthodioline 1.5907 0.6716 0.8070 1.1167 0.7496 1.0511 1.0178
(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4^-(tri-acetylrhamnoside) NA 0.8606 0.8801 1.2271 0.7413 1.2610 NA
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1treatment:C12-o-(BG-D)-10_1h
F2treatment:C12-o-(BG-D)-10_3h
F3treatment:C12-o-(BG-D)-10_6h
F4treatment:Control_1h
F5treatment:Control_3h
F6treatment:Control_6h
F7treatment:Pooled QC
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