Data for (Study ST002149)

(Analysis AN003519)

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

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Metabolite	F1	F2	F3	F4	F5	F6
10-heptadecenoate (17:1n7)	0.4139	2.2012	0.3155	0.3865	0.7286	1.9543
10-hydroxystearate	NA	2.5369	0.7015	0.0199	0.3584	0.0513
10-nonadecenoate (19:1n9)	0.3903	1.9574	0.3223	0.5148	0.5825	2.2327
1-(1-enyl-oleoyl)-GPE (P-18:1)*	0.4924	4.3359	0.2531	0.2416	0.3492	0.3277
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	0.4130	3.7701	0.1042	0.1160	0.0764	0.0738
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	0.5641	4.5937	0.1713	0.1360	0.0684	0.1172
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	0.3265	4.3113	0.0999	0.0918	0.0774	0.0651
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	0.3311	3.5203	0.1131	0.1057	0.0569	0.0938
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	0.3355	4.2695	0.1230	0.0980	0.0822	0.0783
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	0.4196	4.2918	0.1800	0.1216	0.0498	0.0732
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	0.2200	1.1114	NA	NA	NA	NA
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	0.6208	3.3223	0.2577	0.3755	0.5504	0.5021
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	0.7558	3.7696	0.3567	0.3205	0.3691	0.4284
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	0.4012	4.2842	0.1414	0.0992	0.0513	0.1192
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	0.1872	1.9850	0.1235	0.0413	NA	NA
1-(1-enyl-stearoyl)-GPE (P-18:0)*	0.5410	3.8673	0.3498	0.3203	0.4865	0.4350
1,1-kestotetraose	0.9499	0.5754	1.2168	1.3033	0.9013	1.0163
12,13-DiHOME	0.6174	2.6707	0.5046	0.4595	0.7327	1.0151
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*	0.8506	1.0438	1.0175	0.8234	1.1259	1.0652
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*	1.0313	0.8540	0.8626	1.0690	1.1137	1.0695
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*	1.1139	1.2467	0.9652	0.6667	1.1599	0.8476
1,2-dilinoleoyl-GPC (18:2/18:2)	0.7973	1.8612	0.7469	0.8357	0.8894	0.8696
1,2-dilinoleoyl-GPE (18:2/18:2)*	0.6977	2.1233	0.8574	0.7823	0.7479	0.7914
1,2-dioleoyl-GPC (18:1/18:1)	0.5665	3.0378	0.6317	0.3788	0.7538	0.6314
1,2-dioleoyl-GPE (18:1/18:1)	0.3599	4.3371	0.4281	0.2698	0.1397	0.3578
1,2-dipalmitoyl-GPC (16:0/16:0)	0.8790	3.2958	0.4559	0.5219	0.3675	0.4798
(12 or 13)-methylmyristate (a15:0 or i15:0)	0.6531	1.2582	0.5747	0.6594	0.8042	2.0505
13-HODE + 9-HODE	0.7632	1.1288	0.7958	0.7135	1.0402	1.5586
(14 or 15)-methylpalmitate (a17:0 or i17:0)	0.4732	1.7537	0.3603	0.5496	0.7070	2.1563
1,5-anhydroglucitol (1,5-AG)	0.5726	0.5913	NA	0.2813	1.3864	1.4373
16-hydroxypalmitate	0.8485	1.5325	0.7025	0.6486	0.9344	1.3335
(16 or 17)-methylstearate (a19:0 or i19:0)	0.5432	1.7206	0.4258	0.6934	0.7755	1.8415
18-methylnonadecanoate (i20:0)	0.6770	1.9245	0.4988	0.9340	0.7879	1.1778
1-arachidonylglycerol (20:4)	0.0621	2.2971	0.0554	0.0522	0.1987	0.9840
1-carboxyethylleucine	0.2945	1.7103	NA	NA	0.4057	0.1720
1-carboxyethylphenylalanine	NA	1.1915	NA	NA	0.3296	NA
1-carboxyethylvaline	NA	1.8752	NA	0.1615	0.3084	0.1770
1-dihomo-linolenylglycerol (20:3)	0.0723	1.9605	0.0502	0.0360	0.2636	1.7705
1-dihomo-linoleoylglycerol (20:2)	0.1382	2.1382	0.1843	0.1541	0.3334	2.2730
1-docosahexaenoylglycerol (22:6)	0.3862	0.6286	0.3009	0.3308	0.6212	3.7323
1-heptadecenoylglycerol (17:1)*	0.0922	0.7591	0.1703	0.1213	0.4434	5.3123
1-kestose	1.1029	0.4742	1.3193	1.4227	0.0075	1.1773
1-lignoceroyl-GPC (24:0)	0.8077	1.6103	0.7530	0.9304	0.9437	0.9399
1-linolenoylglycerol (18:3)	0.1121	0.0997	0.0878	0.0691	0.2387	5.3926
1-linolenoyl-GPC (18:3)*	0.9792	1.1316	0.7652	0.7919	1.0867	1.1949
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)*	0.9073	1.0842	0.8308	1.0041	1.1238	1.0877
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)*	1.0362	1.0380	0.9826	0.6505	1.2557	1.0715
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	0.8501	1.5298	0.7823	0.9619	0.9449	0.9310
1-linoleoylglycerol (18:2)	0.2377	0.3832	0.2030	0.0870	0.7895	4.2995
1-linoleoyl-GPC (18:2)	0.9011	1.0813	0.7516	0.8456	1.2111	1.2093
1-linoleoyl-GPE (18:2)*	0.8815	1.2180	0.7799	0.8726	1.0797	1.1683
1-linoleoyl-GPG (18:2)*	0.1571	2.4070	0.0992	NA	0.2185	0.2393
1-linoleoyl-GPI (18:2)*	0.3159	1.3134	0.6845	0.4285	1.1560	1.1386
1-margaroylglycerol (17:0)	0.4365	1.7522	0.4958	0.5623	0.7917	1.9091
1-methyl-4-imidazoleacetate	1.1399	2.0164	0.5476	0.7548	0.7922	0.7491
1-methyl-5-imidazoleacetate	1.2697	1.1135	1.0480	0.8904	0.8961	0.7823
1-methyladenine	0.0728	0.9068	0.8681	0.0716	2.4401	1.6406
1-methylguanidine	0.9946	0.6688	0.9812	1.1859	1.1836	0.9859
1-methylguanine	NA	0.3029	1.0712	NA	0.9382	1.3391
1-methylhistamine	0.5429	1.0599	0.3199	0.3025	1.2269	1.5500
1-methylhistidine	0.1092	1.3917	0.0745	NA	NA	NA
1-methylhypoxanthine	0.0142	0.7211	1.5567	NA	0.7991	1.2928
1-methylnicotinamide	0.4357	0.9744	2.1457	0.5506	1.1612	0.7323
1-myristoylglycerol (14:0)	0.3630	1.2512	0.3127	0.5208	0.7717	2.7806
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	0.4370	2.0534	0.3058	NA	0.4128	0.2886
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	0.7496	2.7622	0.5517	0.6164	0.6573	0.6628
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	0.4500	3.9186	0.4515	0.4085	0.3255	0.4459
1-oleoylglycerol (18:1)	0.1737	0.3077	0.1732	0.1026	0.3871	4.8556
1-oleoyl-GPC (18:1)	0.8390	1.7470	0.7130	0.6631	1.0742	0.9637
1-oleoyl-GPE (18:1)	0.6357	3.1841	0.5395	0.4400	0.5910	0.6099
1-oleoyl-GPG (18:1)*	0.4018	1.3879	0.3059	NA	1.4151	0.3503
1-oleoyl-GPI (18:1)	0.3220	1.8233	0.9147	0.5236	1.3332	0.9879
1-palmitoleoylglycerol (16:1)*	0.0508	0.7028	0.1084	0.0950	0.5482	4.4946
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	0.8742	4.4203	0.1894	0.1823	0.1310	0.2029
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	0.3121	1.7558	0.1141	NA	NA	0.2386
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	0.7754	2.7713	0.6379	0.6414	0.5098	0.6030
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	0.5911	4.5184	0.2464	0.2160	0.2393	0.1887
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	0.7656	2.8781	0.6847	0.4633	0.5533	0.6549
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	0.4069	1.9719	0.2801	NA	NA	1.0513
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)*	1.0095	0.7862	0.8156	1.0699	1.1493	1.1696
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)*	0.5996	1.1315	0.3422	0.3503	2.7464	0.4470
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	0.6038	4.2154	0.2928	0.3140	0.2733	0.3007
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	0.5276	3.6089	0.4980	0.5078	0.3683	0.4894
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	0.9923	1.7218	0.8708	0.9516	0.7088	0.7546
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	0.5230	4.5245	0.2555	0.2383	0.2303	0.2284
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	0.2954	3.6729	0.3124	0.1609	0.1016	0.1097
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	0.9281	1.9200	0.9315	0.8919	0.6837	0.6448
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	0.5097	4.6444	0.2476	0.1946	0.1839	0.2199
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	0.5949	3.1311	0.4109	0.3082	0.2331	0.3063
1-palmitoylglycerol (16:0)	0.3222	1.3972	0.3303	0.3716	0.7385	2.8403
1-palmitoyl-GPC (16:0)	0.9517	2.4220	0.5490	0.6092	0.7569	0.7112
1-palmitoyl-GPE (16:0)	0.8094	2.4776	0.6283	0.6507	0.6815	0.7525
1-palmitoyl-GPG (16:0)*	0.8162	2.0074	0.5537	0.4525	1.2425	0.9278
1-palmitoyl-GPI (16:0)	0.6046	1.7964	0.6613	1.0037	0.9232	1.0109
1-ribosyl-imidazoleacetate*	0.7404	1.0761	0.5944	0.8775	1.2431	1.4684
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	0.5914	4.8335	0.1382	0.1293	0.0622	0.2455
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	0.5529	4.6319	0.2308	0.2301	0.0915	0.2627
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	0.9065	3.6341	0.3761	0.4187	0.2239	0.3436
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	0.4312	4.0478	0.2518	0.1335	0.1541	0.4278
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	0.5659	3.1988	0.2957	0.3152	0.1874	0.5803
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	0.4597	4.6183	0.1796	0.2058	0.1059	0.2217
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	0.4154	4.4795	0.3338	0.3489	0.1678	0.2546
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	0.7559	3.6832	0.5455	0.4788	0.2682	0.2685
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)	0.4588	3.3645	0.4568	0.7884	0.1923	0.3687
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	0.4247	5.0558	0.1622	0.1362	0.0949	0.1262
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	0.3607	3.8388	0.1106	0.1109	0.0750	0.0784
1-stearoylglycerol (18:0)	0.2768	0.8094	0.3263	0.1740	0.2965	3.7469
1-stearoyl-GPC (18:0)	0.7365	3.4697	0.3546	0.4621	0.4581	0.5189
1-stearoyl-GPE (18:0)	0.6705	3.0364	0.5309	0.6362	0.4927	0.6332
1-stearoyl-GPG (18:0)	0.2224	3.5091	0.1645	0.1529	0.3289	0.2427
1-stearoyl-GPI (18:0)	0.6386	2.0987	0.7516	0.6827	0.7297	1.0676
1-stearoyl-GPS (18:0)*	0.5476	3.6681	0.3902	0.4696	0.4068	0.5177
2,3-dihydroxy-2-methylbutyrate	0.2081	0.1112	0.3205	0.1091	4.9190	0.1097
2,3-dihydroxyisovalerate	0.2222	0.3915	NA	0.2299	1.3415	0.4243
2,4-dihydroxybutyrate	1.6369	1.8405	0.4476	0.3790	1.0069	0.6890
2,6-dihydroxybenzoic acid	0.5560	1.5791	0.6679	0.3750	0.9955	0.7378
2-aminoadipate	0.4108	2.4194	0.7704	0.5066	0.4635	0.6486
2-aminobutyrate	1.4326	3.5532	0.2152	0.0718	0.3513	0.1746
2-arachidonoylglycerol (20:4)	0.0438	1.6225	NA	0.0789	0.0337	0.1086
2^-deoxyadenosine	0.7170	0.9957	1.6633	1.1153	0.9632	0.5455
2^-deoxycytidine	0.7379	2.0976	0.2498	1.9356	0.5181	0.4611
2^-deoxycytidine 5^-monophosphate	0.0453	2.1468	NA	NA	0.0358	0.2393
2^-deoxyguanosine	1.8188	1.1259	0.2881	1.9503	0.4491	0.3678
2^-deoxyinosine	1.6030	1.5376	0.2937	1.6647	0.5504	0.3506
2^-deoxyuridine	2.1920	2.5823	0.1901	0.6155	0.2962	0.1238
2-dihomo-linoleoylglycerol (20:2)*	NA	0.9470	0.0780	0.0559	0.7680	1.8054
2-docosahexaenoylglycerol (22:6)*	0.1666	1.1652	NA	0.2049	1.2805	1.6443
2-heptadecenoylglycerol (17:1)*	NA	0.5762	0.1271	0.1265	0.9774	3.2810
2-hydroxy-3-methylvalerate	0.1194	1.3425	2.6482	NA	0.3836	0.5064
2-hydroxyadipate	1.0544	1.0154	0.6704	1.2910	1.0003	0.9685
2-hydroxyarachidate*	1.1861	1.2512	1.1174	0.9779	0.7048	0.7490
2-hydroxybehenate	1.2638	1.3287	1.0141	0.9574	0.6738	0.6817
2-hydroxybutyrate/2-hydroxyisobutyrate	0.5453	2.8509	0.8927	0.0598	0.9067	0.7447
2-hydroxyglutarate	0.4799	2.9122	0.2018	NA	0.1265	0.0869
2-hydroxyheptanoate*	1.6310	3.0373	0.2545	0.2326	0.5240	0.3206
2-hydroxynervonate*	1.2697	0.8960	0.9917	0.8538	0.9739	1.0150
2-hydroxypalmitate	0.6208	3.0639	0.4408	0.5698	0.5569	0.7478
2-hydroxystearate	0.6973	2.6214	0.5605	0.7417	0.6763	0.7028
2-keto-3-deoxy-gluconate	0.8575	0.5715	0.9363	1.0757	1.6432	0.8979
2-linoleoylglycerol (18:2)	0.0315	0.6986	0.0894	0.0879	0.4680	4.6246
2-methylbutyrylcarnitine (C5)	1.1807	1.9924	0.2493	0.9622	0.9307	0.6848
2-methylcitrate/homocitrate	1.0200	1.3419	0.3055	NA	0.7367	0.5356
2-myristoylglycerol (14:0)	0.2196	1.4413	0.3047	0.4330	0.7210	2.8620
2-oleoylglycerol (18:1)	0.0461	0.5991	0.1068	0.0874	0.4851	4.6755
2^-O-methylcytidine	0.8093	2.0967	0.1670	0.9271	NA	NA
2^-O-methyluridine	0.8986	1.5639	0.1894	1.1455	NA	NA
2-oxindole-3-acetate	0.9168	0.4420	0.8124	0.9971	1.8509	0.9807
2-oxoarginine*	1.0804	0.5784	1.2343	1.0930	1.0103	1.0037
2-palmitoleoylglycerol (16:1)*	0.0374	0.5694	0.0735	0.0985	0.4821	4.1714
2-palmitoylglycerol (16:0)	0.3023	1.3916	0.3739	0.5054	0.6354	2.7915
2-palmitoyl-GPC (16:0)*	0.5007	3.2094	0.3333	0.3416	0.3111	0.4123
2R,3R-dihydroxybutyrate	0.8649	2.2773	0.3969	0.3388	1.4585	0.6636
2-stearoyl-GPE (18:0)*	0.4405	4.3841	0.2475	0.4595	0.2179	0.2505
3-(3-amino-3-carboxypropyl)uridine*	0.5996	0.8480	1.4478	0.7021	1.3442	1.0583
3,4-dihydroxybutyrate	0.9017	1.2166	0.9062	1.0160	1.1834	0.7761
3,4-dihydroxyphenylacetate sulfate	0.6603	0.6711	0.6720	0.7616	1.7857	1.3260
3-(4-hydroxyphenyl)lactate	0.2355	0.1837	0.1148	0.0105	1.6851	3.7704
3-(4-hydroxyphenyl)propionate	NA	0.0102	NA	NA	0.5464	1.5773
3-amino-2-piperidone	0.8261	1.1994	1.2888	0.9610	0.7862	0.7764
3-formylindole	0.9247	1.5143	0.5801	0.5235	1.1878	1.2697
3-hydroxy-3-methylglutarate	1.2272	1.3306	0.5443	1.1838	0.9493	0.7647
3-hydroxybehenate*	0.9097	1.8021	0.7431	1.2112	0.6743	0.5645
3-hydroxybutyrate (BHBA)	0.5843	2.3115	1.6311	0.3201	0.7264	0.4267
3-hydroxydodecanedioate*	0.9417	0.6323	0.9572	1.0604	1.3139	1.1029
3-hydroxyhexanoate	0.7962	2.8789	0.1801	NA	0.6244	0.4180
3-hydroxyisobutyrate	0.4624	1.0767	0.4092	0.5410	0.8964	2.5404
3-hydroxylaurate	1.2419	1.0226	1.0994	0.5830	1.1148	0.9383
3-hydroxyoctanoate	0.9894	1.4100	0.9876	0.5710	0.9241	0.6563
3-hydroxypyridine sulfate	0.9851	1.2429	0.5809	0.6190	0.9681	1.2350
3-hydroxysebacate	0.9738	0.5755	0.9521	1.1709	1.1156	1.2121
3-hydroxystachydrine*	0.7828	0.5326	1.0164	0.9681	1.4197	1.2803
3-hydroxysuberate	0.8411	0.5918	0.9656	1.0763	1.2147	1.3106
3-hydroxyvalerate	0.2826	2.0797	NA	0.1594	0.5106	0.4434
3-indoxyl sulfate	NA	NA	NA	NA	0.4617	1.5383
3-methyl-2-oxobutyrate	1.8005	3.4326	0.1524	0.1231	0.3395	0.1518
3-methyl-2-oxovalerate	1.2574	3.7334	0.1776	0.1412	0.4187	0.1644
3-methylhistidine	0.3464	3.8483	0.5936	0.3983	0.3564	0.3796
3-phenylpropionate (hydrocinnamate)	0.1752	0.3757	NA	NA	1.5509	1.8982
3-sulfo-L-alanine	1.2643	1.2813	0.7947	0.5559	1.1437	0.9602
3-ureidopropionate	0.0441	3.8618	0.9775	NA	0.0516	0.0650
4-acetamidobutanoate	0.9318	1.0524	0.8360	0.6726	1.5036	1.0035
4-acetylphenol sulfate	0.9055	0.4975	0.2885	NA	1.4313	0.9729
4-cholesten-3-one	1.2696	0.7630	1.2956	0.7608	1.2444	0.6667
4-guanidinobutanoate	0.9779	0.7525	1.0759	1.2483	1.0863	0.8590
4-hydroxycinnamate	0.9339	0.8586	0.6516	0.8379	1.3714	1.3466
4-hydroxycinnamate sulfate	0.8356	0.5273	0.7844	0.9205	1.6854	1.2468
4-hydroxyhippurate	0.4207	0.5750	0.6451	0.3673	1.7282	1.9788
4-hydroxyphenylacetate	1.7054	0.6696	0.0710	NA	1.0648	0.6763
4-hydroxyphenylacetate sulfateÊÊÊÊÊÊÊÊ	0.5417	1.8095	1.1753	0.2545	1.2590	0.9600
4-hydroxyphenylpyruvate	1.2846	2.7542	0.3144	0.5722	0.6184	0.4563
4-imidazoleacetate	3.8769	1.6433	0.0957	0.1082	0.1703	0.1056
4-methyl-2-oxopentanoate	1.2491	3.8597	0.1776	0.1039	0.3829	0.2267
4-methylthio-2-oxobutanoate	1.1970	2.1642	NA	0.1773	0.3491	0.1901
5,6-dihydrouridine	0.5646	2.2446	0.8749	0.5601	1.0730	0.6828
5-aminovalerate	1.3345	0.9586	0.0035	0.0053	1.8408	1.8572
5-dodecenoate (12:1n7)	0.8812	1.0085	0.7968	0.4266	1.2310	1.6560
5-dodecenoylcarnitine (C12:1)	1.1413	0.9900	1.1912	1.0214	0.8512	0.8048
5-(galactosylhydroxy)-L-lysine	1.1907	0.3440	0.3347	1.3482	1.4214	1.1149
5-hydroxyhexanoate	0.8695	1.3744	0.7277	0.6646	1.1229	1.1310
5-hydroxyindoleacetate	0.5835	2.8736	0.1942	0.1097	0.1847	0.2800
5-hydroxylysine	0.2305	1.8656	2.8625	0.3123	0.4118	0.3173
5-methyl-2^-deoxycytidine	1.5891	0.8101	0.5932	1.8688	0.5551	0.5836
5-methylcytidine	NA	NA	NA	1.0000	NA	NA
5-methylcytosine	0.7772	0.7026	0.9400	0.6635	1.2476	1.6691
5-methylthioadenosine (MTA)	1.2594	1.1270	1.1360	1.5902	0.5116	0.3917
5-methylthioribose**	0.8550	0.6079	0.8660	0.7526	1.5943	1.3242
5-methyluridine (ribothymidine)	0.8473	2.2836	0.2507	0.6835	0.9461	0.8016
5-oxoproline	0.6981	1.2677	1.6407	0.3370	1.0760	0.9805
6-oxopiperidine-2-carboxylate	0.5038	1.2704	0.7598	0.4190	1.1939	0.9838
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	1.1408	1.3848	0.7264	0.4240	1.4958	0.8037
7-ketodeoxycholate	0.7035	0.7541	NA	NA	1.5117	NA
7-methylguanine	0.7156	0.8583	1.0614	0.8865	1.3075	1.1708
acetylagmatine	0.1682	0.0962	0.2513	0.2149	4.7722	0.2713
acetylcarnitine (C2)	0.6460	4.4789	0.2650	0.1678	0.1987	0.2435
aconitate [cis or trans]	1.1076	1.0214	0.6836	1.2585	1.0287	0.9002
adenine	0.3345	0.7453	3.8051	0.8484	0.0923	0.1744
adenosine	1.0156	1.1616	1.0887	0.8871	1.0316	0.8154
adrenate (22:4n6)	0.5706	2.2509	0.4433	0.6702	0.7157	1.1118
afromosin	0.3959	1.3269	0.4394	NA	1.6845	0.3564
agmatine	0.7693	0.3972	0.8474	0.4892	2.4720	0.8742
alanine	0.6863	2.8447	0.7762	0.4091	0.6579	0.6258
alanylleucine	1.1900	0.5065	0.9204	0.9893	0.7014	1.6923
allantoic acid	0.7688	0.4189	0.6187	1.3623	1.0178	1.3051
allantoin	0.7938	1.0625	1.0044	0.8504	1.1717	1.1173
alpha-hydroxyisocaproate	0.0404	0.8915	3.1478	NA	0.0475	0.0344
alpha-hydroxyisovalerate	0.4632	2.4992	1.9082	0.0519	0.5861	0.4914
alpha-ketobutyrate	0.8755	2.9492	0.1520	NA	0.1720	0.0514
alpha-ketoglutaramate*	0.9068	3.1207	0.4623	0.4501	0.6738	0.3862
alpha-ketoglutarate	1.9347	2.0851	0.1606	0.1216	0.7225	0.9756
alpha-tocopherol	1.0107	0.9149	1.1369	0.9216	1.1528	0.8630
alpha-tocopherol acetate	0.8905	0.8829	1.2013	1.1745	1.0050	0.8459
alpha-tocotrienol	0.7400	0.8827	1.1032	0.7977	1.2469	1.2295
androsterone glucuronide	0.9442	NA	0.5237	0.7987	1.0133	1.6294
anserine	1.1426	0.6526	1.0302	1.2275	1.0126	0.9346
arabinose	0.7617	0.4943	0.9819	1.0377	1.7732	0.9513
arabitol/xylitol	0.8109	0.5516	1.1344	1.1153	1.2078	1.1799
arabonate/xylonate	0.5611	0.4398	1.2010	1.4417	0.8944	1.4619
arachidate (20:0)	0.7116	1.9306	0.5068	1.1612	0.7796	0.9102
arachidonate (20:4n6)	0.4041	4.4226	0.1889	0.2180	0.3655	0.4009
arachidonoylcarnitine (C20:4)	0.7022	2.6839	0.6265	0.7253	0.6487	0.6134
arachidonoyl ethanolamide	0.8875	1.9435	0.6025	0.5177	1.2338	0.8150
arachidoylcarnitine (C20)*	0.1242	3.4307	0.0461	0.0466	0.0484	0.0543
arachidoyl ethanolamide (20:0)*	0.5988	1.5955	0.5388	0.5426	0.4419	0.4341
argininate*	1.1418	0.4223	0.5918	0.4220	1.9909	1.4311
arginine	0.9887	2.6662	0.4982	0.6704	0.6446	0.5320
argininosuccinate	0.9982	0.8251	0.9403	0.8325	1.3129	1.0628
asparagine	0.7929	2.3739	0.8313	0.9913	0.5686	0.4420
aspartate	0.7492	2.4943	1.0183	0.4750	0.6947	0.5684
azelate (C9-DC)	0.9632	0.5815	0.8451	0.9529	1.1911	1.4662
behenoylcarnitine (C22)*	0.0464	1.1362	NA	NA	NA	NA
behenoyl ethanolamide (22:0)*	0.7539	1.6900	0.9443	0.5036	1.0971	0.8801
behenoyl sphingomyelin (d18:1/22:0)*	0.8766	1.5218	0.7946	0.8842	1.0297	0.8932
benzoylcarnitine*	NA	0.9934	1.0328	NA	NA	NA
beta-alanine	0.4538	1.5648	1.7935	0.6795	0.7004	0.8079
beta-citrylglutamate	0.9999	0.5537	1.1849	1.2884	1.1100	0.8632
beta-cryptoxanthin	1.0155	0.8175	1.1424	1.0657	1.1251	0.8338
beta-guanidinopropanoate	0.8068	2.2247	0.4857	0.6906	0.9081	1.0257
beta-hydroxyisovalerate	1.0945	1.5138	0.8518	0.7646	0.9339	0.8414
betaine	1.0088	4.0604	0.3024	0.3303	0.1603	0.1379
beta-muricholate	0.6457	1.4012	1.1311	0.1659	2.1632	0.4929
beta-sitosterol	1.0482	0.8627	1.0911	1.1537	1.0193	0.8250
betonicine	0.7857	0.4975	1.0895	1.0183	1.4383	1.1706
bilirubin (Z,Z)	0.9063	0.8078	0.7979	0.4873	1.4869	1.5138
biliverdin	0.7210	0.9503	1.2824	0.7150	0.8650	1.4716
biopterin	0.8610	0.9061	0.8270	0.9571	1.3150	1.1103
butyrylcarnitine (C4)	0.2607	3.7106	0.3188	NA	0.1001	0.0346
caffeic acid sulfate	0.8524	0.7920	0.8719	1.0727	1.5121	0.8989
campesterol	1.0581	0.9347	1.0453	1.0864	1.0502	0.8254
caprate (10:0)	0.8498	1.0143	0.7387	0.7652	1.1541	1.4779
carboxyethyl-GABA	0.9850	0.5962	1.1949	1.0845	1.1621	0.9773
carnitine	0.3784	3.4486	1.4233	0.3805	0.2002	0.1689
carotene diol (1)	0.9213	0.8449	1.0732	1.1875	1.0610	0.9121
carotene diol (2)	0.9650	0.8020	1.0489	1.1797	1.0402	0.9642
carotene diol (3)	0.9791	0.8468	1.0997	1.1934	0.9725	0.9085
ceramide (d16:1/24:1, d18:1/22:1)*	0.9400	1.1248	1.2557	0.5113	1.3344	0.8338
ceramide (d18:1/14:0, d16:1/16:0)*	0.7667	2.0158	0.9994	0.5298	0.9849	0.7034
ceramide (d18:1/17:0, d17:1/18:0)*	0.6253	2.5847	0.6871	0.6204	0.7222	0.7261
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*	1.1459	0.7764	1.2350	0.6389	1.3456	0.8582
ceramide (d18:2/24:1, d18:1/24:2)*	0.7334	3.2101	0.5953	0.2814	0.6438	0.5360
chenodeoxycholate	0.2250	0.9775	0.3038	NA	2.1342	0.6042
chiro-inositol	0.1155	0.6371	0.1700	0.0365	4.0040	0.0787
cholate	0.1187	0.4226	0.1056	NA	2.8554	1.4978
cholesterol	0.7683	2.0040	0.7775	0.7779	0.8251	0.8473
choline	1.1738	0.7750	0.1274	0.9675	1.4624	1.4939
choline phosphate	0.3400	4.0897	0.4377	0.1196	0.4264	0.5866
chrysin	0.5902	1.2513	1.2724	0.3710	1.5022	0.9344
cinnamoylglycine	0.1621	0.2740	NA	NA	0.8075	1.3880
cis-4-decenoate (10:1n6)*	1.4830	0.6897	1.2495	0.5400	1.1257	0.9121
cis-4-decenoylcarnitine (C10:1)	0.9817	0.4591	1.1788	1.7958	0.9132	0.6713
cis-urocanate	0.3498	0.3876	0.3659	0.2924	2.0081	2.5963
citraconate/glutaconate	0.8642	0.5801	0.9271	1.1109	1.2434	1.2743
citrate	1.1622	1.3467	0.7304	1.0307	0.9114	0.8186
citrulline	0.2261	2.8373	1.5291	0.3599	0.4002	0.6474
creatine	0.5683	2.8237	0.9484	0.3841	0.6315	0.6440
creatinine	0.9122	0.5379	1.1677	1.0142	1.2371	1.1309
cystathionine	1.1954	0.8557	1.2624	0.8873	0.9898	0.5531
cysteine	0.7191	0.9626	1.8630	1.1765	0.7571	0.5216
cysteine s-sulfate	1.0021	2.0427	0.7119	0.9686	0.5374	0.7373
cysteine sulfinic acid	0.7311	1.7006	0.8326	0.9160	0.9121	0.5426
cysteinylglycine	0.9060	0.7440	1.3552	0.9436	1.2434	0.8077
cystine	0.3595	3.7156	0.3887	0.6748	0.0929	0.0833
cytidine	0.7228	3.1051	0.1965	1.3490	0.3026	0.3240
cytidine 5^-monophosphate (5^-CMP)	0.2889	1.9245	NA	NA	0.1208	0.3986
cytosine	0.6070	1.1462	1.0482	0.5556	1.4923	1.3968
daidzein	0.8385	1.3784	0.7469	0.5744	1.5929	0.8688
daidzein 7-O-glucuronide	0.9304	0.6752	1.1227	1.1090	1.1461	1.0167
daidzein sulfate (1)	0.9497	0.7125	1.0474	1.0753	1.2183	0.9970
daidzein sulfate (2)	0.9742	0.6776	1.0796	1.0424	1.1858	1.0405
daidzin (daidzein 7-O-glucoside)	1.9101	0.7844	0.5379	1.1812	0.7515	0.8351
decanoylcarnitine (C10)	0.6381	0.6431	1.5134	0.9171	1.3118	0.9766
delta-tocopherol	0.8692	0.8520	1.1982	0.8057	1.2412	1.0337
deoxycarnitine	0.7768	2.4714	0.8047	0.8522	0.4941	0.6009
diacetylspermidine*	0.2170	1.4677	1.6891	0.3452	1.7087	0.2860
diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [2]*	0.4849	0.9637	1.2676	0.3478	0.9165	1.7926
diacylglycerol (14:0/18:1, 16:0/16:1) [1]*	0.4614	0.4701	0.4980	0.1709	0.4891	3.6156
diacylglycerol (14:0/18:1, 16:0/16:1) [2]*	0.4428	0.3579	0.8999	0.1577	0.5130	3.3230
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	0.1173	0.3532	0.2086	0.0827	0.2518	4.6792
diaminopimelate	0.3176	1.9449	1.7856	NA	0.6501	0.3018
digalactosylglycerol*	0.9330	0.6723	1.0914	1.1477	NA	0.9918
dihomo-linoleate (20:2n6)	0.4431	2.3350	0.3048	0.5342	0.5928	1.7901
dihomo-linolenate (20:3n3 or n6)	0.3136	4.1091	0.1596	0.2615	0.3622	0.7940
dihomo-linolenoylcarnitine (C20:3n3 or 6)*	NA	1.0000	NA	NA	NA	NA
dihomo-linoleoylcarnitine (C20:2)*	0.1819	2.2030	0.1530	NA	0.0861	NA
dihydrobiopterin	0.7402	0.9725	1.0785	0.5028	1.3818	1.3243
dihydrocaffeate sulfate (2)	0.2393	0.2790	0.2210	0.2772	1.3960	2.0960
dihydroferulic acid sulfate	0.8657	0.8309	0.7987	0.8999	1.5038	1.0208
dihydroorotate	0.4902	1.7309	0.5794	0.4446	0.5140	1.1105
dimethylarginine (SDMA + ADMA)	0.7360	1.2302	1.1171	1.1626	0.8925	0.8616
dimethylglycine	0.5811	1.9598	0.1240	0.1636	0.0976	NA
dipicolinate	0.0506	1.6814	0.1138	0.0615	2.8700	1.2228
docosadienoate (22:2n6)	0.5923	2.2154	0.4685	0.7063	0.5429	1.4745
docosahexaenoate (DHA; 22:6n3)	0.4663	3.9595	0.2385	0.2944	0.4538	0.5875
docosahexaenoyl ethanolamide	0.7614	2.5324	0.5053	0.2885	1.2291	0.6381
docosapentaenoate (n3 DPA; 22:5n3)	0.4521	3.2868	0.2653	0.3585	0.5537	1.0836
docosapentaenoate (n6 DPA; 22:5n6)	0.4795	3.5388	0.2396	0.3831	0.4963	0.8626
docosapentaenoylcarnitine (C22:5n3)*	0.3418	1.1070	0.9091	NA	NA	NA
docosatrienoate (22:3n3)	0.3773	1.3502	0.4065	0.2650	0.8204	1.8701
docosatrienoate (22:3n6)*	0.2021	1.5978	NA	0.4911	0.1025	0.3087
docosatrienoylcarnitine (C22:3)*	NA	1.0000	NA	NA	NA	NA
dodecenedioate (C12:1-DC)*	1.1228	0.7118	0.9915	1.0593	1.1698	0.9449
ectoine	0.5760	0.8084	1.1273	0.6799	1.4515	1.1838
eicosanoylsphingosine (d20:1)*	0.6446	1.1174	1.0482	0.7608	1.2208	1.2083
eicosapentaenoate (EPA; 20:5n3)	0.5631	3.5870	0.4020	0.3667	0.4762	0.6051
eicosapentaenoyl ethanolamide	0.7147	1.7620	0.5144	0.3286	1.2919	0.4939
eicosenoate (20:1)	0.4928	1.8296	0.4059	0.8490	0.6249	1.7978
eicosenoylcarnitine (C20:1)*	0.1661	2.1057	0.1153	NA	0.0664	0.1240
equol sulfate	0.6926	0.8559	0.8328	0.5669	1.1474	1.3647
ergosterol	1.0360	0.5717	1.0078	1.1279	1.1478	0.9372
ergothioneine	0.2708	5.2705	0.1412	0.0638	0.1140	0.1396
erucate (22:1n9)	0.6369	1.9215	0.6792	1.0547	0.7517	0.9559
erucoylcarnitine (C22:1)*	0.0564	1.1348	NA	NA	NA	NA
erythritol	0.4350	0.5631	1.4769	0.4466	2.3251	0.7533
erythronate*	0.8696	1.2620	0.5840	1.0184	1.3445	0.9214
ethylmalonate	0.3473	3.7504	0.3653	0.2462	0.5123	0.5900
ferulate	0.7666	0.8223	0.7360	0.8395	1.9072	0.9283
ferulic acid 4-sulfate	0.9614	0.5346	0.9438	1.1035	1.4730	0.9838
ferulylglycine (1)	0.9840	0.4196	1.1001	1.1766	1.0658	1.2540
ferulylglycine (2)	0.9697	0.5844	1.0767	1.0875	1.0518	1.2298
formiminoglutamate	NA	NA	NA	NA	1.6398	0.3602
fructose	0.1549	2.5205	0.2512	1.1564	1.7176	0.1994
fructosyllysine	0.7822	0.6494	1.1170	0.8068	1.4521	1.1924
fumarate	0.3028	4.3906	0.0929	0.1063	0.0865	0.1277
galactinol	0.8608	0.5475	1.1883	1.1581	0.9530	1.0484
galactitol (dulcitol)	0.7447	0.4002	1.3142	1.3689	0.9619	1.2100
galactonate	0.7661	0.4675	1.0042	1.3126	1.2145	1.2351
galactosylglycerol	1.4986	0.2391	0.2781	1.7500	0.0485	1.8767
gamma-aminobutyrate (GABA)	0.4565	3.0080	0.7503	0.3914	0.7243	0.6695
gamma-glutamyl-alpha-lysine	0.6711	1.8083	0.9803	0.6610	0.9016	0.9777
gamma-glutamyl-epsilon-lysine	0.8742	0.4028	1.2352	0.8917	1.6097	0.9864
gamma-glutamylglutamate	0.8045	1.8976	1.2949	0.6147	0.6150	0.7733
gamma-glutamylglutamine	0.7745	1.6231	0.8890	1.0918	0.8200	0.8016
gamma-glutamylglycine	0.7153	0.4738	1.5182	1.2664	0.9321	1.0941
gamma-glutamylhistidine	0.6653	2.0305	1.2577	0.7898	0.6199	0.6368
gamma-glutamylisoleucine*	0.3789	1.5387	1.6326	1.2459	0.5361	0.6677
gamma-glutamylleucine	0.5387	2.7716	0.7580	0.4801	0.6181	0.8336
gamma-glutamylmethionine	0.6151	2.7669	0.6559	0.3665	0.7542	0.8414
gamma-glutamylphenylalanine	0.5085	1.4116	1.3340	0.7179	0.8888	1.1392
gamma-glutamylserine	0.5302	2.0224	0.6604	1.4067	0.6079	0.7723
gamma-glutamyltryptophan	0.7547	2.3493	0.8219	0.5221	0.6641	0.8878
gamma-glutamyltyrosine	0.4873	1.7616	1.0164	0.7542	0.9126	1.0680
gamma-glutamylvaline	0.3771	1.6680	1.7892	1.1600	0.4714	0.5343
gamma-tocopherol/beta-tocopherol	0.9133	0.8210	1.1697	0.9524	1.1704	0.9732
gamma-tocotrienol	0.7137	0.9374	0.9890	0.8553	1.1442	1.3603
genistein	0.8686	1.7762	0.6839	0.4644	1.4513	0.7557
genistein glucuronide*	0.9633	0.6837	1.1138	1.0869	1.1421	1.0103
genistein sulfate*	1.0262	0.6900	1.0726	1.0652	1.1237	1.0223
gluconate	0.8744	0.4996	1.1917	1.2420	1.1069	1.0854
glucose	0.4679	2.2458	0.7272	0.6012	1.4926	0.4654
glucuronate	0.9130	0.4299	1.0863	1.1012	1.4924	0.9771
glutamate	0.7959	2.4959	1.1512	0.5748	0.5591	0.4231
glutamine	0.7757	2.8669	0.5728	0.8517	0.5150	0.4179
glutaminylleucine	1.1817	0.9609	0.4672	0.5438	0.2438	1.6262
glutarate (C5-DC)	0.5582	3.6200	0.3650	0.3849	0.4836	0.3743
glutarylcarnitine (C5-DC)	0.8302	0.7217	0.9550	0.9447	1.2776	1.2360
glycerate	1.1806	1.9822	0.5525	1.1918	0.5890	0.5039
glycerol	0.6344	1.4373	0.4736	0.9238	1.0268	1.5041
glycerol 3-phosphate	0.7245	3.3519	0.4740	0.3223	0.7583	0.3690
glycerophosphoethanolamine	0.4033	4.3864	0.2322	0.2022	0.5278	0.2481
glycerophosphoglycerol	0.6240	2.2196	0.7528	0.2640	1.5989	0.5407
glycerophosphoinositol*	0.8973	1.2497	0.7464	0.9050	1.2505	0.9510
glycerophosphorylcholine (GPC)	0.8984	3.4139	0.3129	0.3928	0.6556	0.3264
glycerophosphoserine*	1.1399	0.9635	0.9250	1.0814	1.2209	0.6693
glycine	0.6290	2.3092	1.1945	0.8454	0.5581	0.4637
glycitein	0.4851	1.8039	0.5030	0.3620	2.3676	0.4785
glycitein sulfate (2)	1.0131	0.6719	1.1162	1.1330	1.0712	0.9946
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*	1.2214	0.4553	1.4091	0.7894	1.4696	0.6552
glycosyl-N-behenoyl-sphingosine (d18:1/22:0)*	1.2384	0.5960	1.4063	0.6960	1.4164	0.6469
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	0.7256	1.7128	0.8041	0.5775	0.6846	0.5426
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	1.1339	0.5406	1.3138	0.8159	1.2091	0.7029
glycylisoleucine	1.0116	1.5213	0.9669	0.4675	1.0870	0.9456
glycylleucine	0.8520	1.2724	1.1382	0.4803	1.0590	1.1981
glycylvaline	0.7061	2.0267	0.7484	0.3405	0.8398	1.3385
guanidinoacetate	0.9688	3.0931	0.3817	0.3497	0.4883	0.7184
guanidinosuccinate	0.7983	0.7442	0.9894	0.8833	1.5166	1.0682
guanine	1.0909	0.4640	1.0327	1.4001	1.0623	0.9500
guanosine	2.1141	0.9135	0.2746	2.0084	0.3327	0.3568
gulonate*	0.8597	0.6973	1.0187	1.2107	1.0287	1.1849
heneicosapentaenoate (21:5n3)	0.5246	2.2524	0.3953	0.4067	0.7281	1.6930
heptadecasphingosine (d17:1)	0.8686	1.5506	0.9025	0.6045	1.0725	1.0013
heptadecatrienoate (17:3)*	0.3825	1.2866	0.4756	0.3225	0.9371	2.1894
hexadecadienoate (16:2n6)	0.5829	1.5927	0.5322	0.4579	0.9170	1.9172
hexadecanedioate (C16-DC)	0.7733	2.1425	0.8323	0.4790	0.9884	0.7846
hexadecasphingosine (d16:1)*	0.5630	1.6309	0.7961	0.6218	1.0875	1.2315
hexadecatrienoate (16:3n3)	0.6875	1.3120	0.6538	0.5750	0.9880	1.7837
hexadecenedioate (C16:1-DC)*	1.0946	1.3767	0.4765	0.5466	1.0676	0.8627
hexanoylcarnitine (C6)	0.7036	1.7043	1.0468	0.8777	0.9068	0.6002
hexanoylglycine	0.5621	3.1094	0.2640	0.3232	0.1690	0.3558
hippurate	0.3422	0.4563	NA	NA	1.4696	1.6640
histamine	0.8006	0.2086	0.5645	1.1514	1.5123	1.6637
histidine	0.7098	3.2719	0.7231	0.4670	0.4220	0.4063
histidine betaine (hercynine)*	0.8494	0.4487	1.5165	1.4460	0.9633	0.7761
histidylalanine	0.3103	2.6727	0.4616	0.1672	0.1777	1.2911
homocitrulline	0.5824	2.2420	1.1485	0.6829	0.6028	0.7414
homovanillate sulfate	0.8281	0.9622	0.5622	0.7332	1.4344	1.1891
hydroxymethylpyrimidine	0.7986	1.6064	1.1397	1.0284	0.8119	0.6150
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**	0.6098	3.0919	0.4941	0.4917	0.5274	0.6310
hypotaurine	0.6802	1.1896	0.3125	NA	NA	NA
hypoxanthine	0.5607	2.1668	1.3756	0.4986	0.2998	1.0985
imidazole lactate	3.5846	1.4204	0.1257	0.0310	0.5174	0.3209
imidazole propionate	0.9727	0.5300	0.7010	1.0142	1.4208	1.3613
indole-3-carboxylate	0.5926	1.2113	0.5547	0.8911	1.1313	0.9445
indoleacetate	2.9176	1.4424	0.0664	0.0954	0.8707	0.6075
indoleacetylaspartate	0.8536	0.4565	1.1174	1.2908	1.1961	1.0857
indolelactate	0.1731	0.0993	0.1172	0.0270	2.5562	3.0271
indoxyl glucuronide	NA	NA	NA	NA	0.8435	1.1565
inosine	2.0982	0.8959	0.4016	1.2202	0.7855	0.5986
isobutyrylcarnitine (C4)	0.9904	1.6496	NA	NA	0.6528	0.7072
isocaproylglycine	0.3502	1.6911	NA	NA	NA	0.2057
isocitric lactone	0.7616	0.3019	1.1746	1.1581	1.3143	1.2895
isoleucine	0.8967	2.2252	0.8324	0.5035	0.8892	0.6530
isoleucylglycine	0.8484	1.6799	0.8353	0.3997	1.2927	0.9440
isoleucylhydroxyproline*	0.4113	0.6416	1.8797	2.1875	0.3133	0.3623
isovalerate (i5:0)	1.1728	1.3656	NA	NA	0.6397	0.7964
isovalerylcarnitine (C5)	1.3251	2.7609	0.2511	0.4215	0.6973	0.5441
isovalerylglycine	0.4397	2.5623	0.6572	0.7650	0.5936	0.8106
kynurenate	1.0860	1.1623	0.4977	0.4978	1.0586	1.5093
kynurenine	0.8635	1.7762	0.6690	NA	0.5403	0.4881
lactate	0.5994	2.2054	0.1268	0.1217	2.8116	0.1351
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	1.0098	1.0211	1.0632	1.2084	0.8360	0.8087
LAHSA (18:2/OH-18:0)*	0.5863	1.5722	1.7503	0.3905	1.1453	0.4070
lanthionine	0.5342	0.4466	2.3357	2.1105	0.2770	0.1954
laurate (12:0)	0.7970	1.0043	0.6839	0.6206	1.2762	1.6180
laurylcarnitine (C12)	0.9424	1.3938	1.0241	1.0631	0.6085	0.9681
leucine	0.8758	2.4202	0.7840	0.4504	0.7866	0.6830
leucylalanine	1.1291	0.5774	0.6093	0.7954	0.7452	1.7738
leucylglutamine*	0.8774	1.5017	0.6402	0.6266	0.7716	1.5825
leucylglycine	0.8385	0.5844	1.1858	0.5839	0.9555	1.8518
leucylhydroxyproline*	0.6882	0.5391	1.7421	1.7956	0.6484	0.5866
lignoceroylcarnitine (C24)*	NA	1.0000	NA	NA	NA	NA
lignoceroyl ethanolamide (24:0)*	0.6620	1.3638	0.9686	0.6836	1.0579	1.0381
lignoceroyl sphingomyelin (d18:1/24:0)	1.1250	1.4044	0.8736	0.9099	0.8991	0.7881
linoleate (18:2n6)	0.6816	2.2047	0.4704	0.5561	0.8263	1.2609
linolenate [alpha or gamma; (18:3n3 or 6)]	0.6284	1.7154	0.5171	0.4711	0.8980	1.7701
linolenoylcarnitine (C18:3)*	0.9033	2.0963	0.9307	0.5367	0.5118	0.7160
linolenoyl ethanolamide	0.8848	2.3174	0.5690	0.3417	1.1329	0.5896
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*	0.3160	0.3161	0.3369	0.0767	0.2862	4.1750
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*	0.2191	0.2414	0.6899	0.0510	0.3476	4.2137
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	NA	0.1621	0.0129	NA	0.0465	4.9607
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	0.0405	0.4350	0.0502	0.0392	0.0838	4.1243
linoleoylcarnitine (C18:2)*	0.8010	3.1962	0.5849	0.5072	0.3175	0.5933
linoleoylcholine*	0.8312	1.5248	0.5137	0.6522	0.8527	1.6254
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]*	0.1700	0.6135	0.1589	0.1008	0.1438	4.6137
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]*	0.1832	0.7197	0.2558	0.1366	0.4319	4.2729
linoleoyl ethanolamide	0.8704	2.5226	0.4724	0.2935	1.1721	0.6216
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*	0.3695	0.3618	0.4460	0.1133	0.3763	4.3332
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	0.3459	0.3517	1.0744	0.0845	0.6337	3.5098
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	0.4760	0.6194	0.6202	0.0982	0.5780	3.6082
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*	0.0830	0.1935	0.2491	0.0580	0.1930	3.0326
lysine	0.7624	2.5852	0.8307	0.5042	0.7167	0.6009
lysylleucine	0.6208	2.0981	0.4694	0.3800	0.3512	1.8891
malate	0.6047	3.9776	0.3585	0.3562	0.3697	0.3334
maleate	1.0344	0.4939	0.8292	1.0652	1.0845	1.4927
malonate	0.8439	0.5545	0.9699	0.9198	1.2948	1.4172
malonylcarnitine	0.8601	1.3741	0.8426	0.7062	1.1914	1.0256
mannitol/sorbitol	0.0090	0.1486	1.8637	1.8645	0.2637	1.8505
mannonate*	0.8806	0.5073	1.1320	1.2712	1.0750	1.1339
mannose	1.1492	1.7686	0.2550	0.9909	0.4719	0.2840
margarate (17:0)	0.5815	2.0703	0.4279	0.7017	0.6736	1.5450
margaroylcarnitine (C17)*	0.5403	3.2368	0.2726	0.2882	0.3852	0.3983
mead acid (20:3n9)	0.1175	2.4566	0.0599	0.0912	1.2978	1.9769
methionine	0.7427	3.1376	0.6051	0.3485	0.6565	0.5096
methionine sulfoxide	0.8177	1.5747	1.0423	0.7905	1.0230	0.7519
methylmalonate (MMA)	0.4786	1.2036	0.3776	0.4787	1.9846	1.4769
methylphosphate	1.9234	1.6062	0.2894	1.3183	0.4259	0.4429
methylsuccinate	0.8455	0.7924	0.6882	0.8110	1.7579	1.1049
mevalonate	0.3816	1.8295	0.3027	NA	0.8204	0.1075
myo-inositol	0.3607	1.8905	0.5191	0.5017	2.1842	0.5437
myristate (14:0)	0.5704	1.5971	0.4443	0.5008	0.8213	2.0659
myristoleate (14:1n5)	0.9331	1.0199	0.7583	0.4699	1.1467	1.6721
myristoleoylcarnitine (C14:1)*	0.9039	1.3526	0.8356	1.1168	0.5936	1.1975
myristoylcarnitine (C14)	0.9946	1.8003	0.9468	0.9014	0.3263	0.9465
myristoyl dihydrosphingomyelin (d18:0/14:0)*	0.8020	0.8563	1.0538	1.2006	0.9725	1.0257
myristoyl-linoleoyl-glycerol (14:0/18:2) [1]*	0.1944	0.3342	0.2111	0.1073	0.3041	5.4709
N(^1)-acetylspermidine	0.5537	1.0723	1.1229	0.5730	1.8622	0.8158
N1-Methyl-2-pyridone-5-carboxamide	0.7752	2.0519	0.8553	0.6428	0.9331	0.7417
N1-Methyl-4-pyridone-3-carboxamide	0.8488	2.0068	0.8358	0.7158	0.9719	0.6210
N1-methyladenosine	1.9932	0.5262	0.5145	2.2589	0.2418	0.4654
N1-methylguanosine	2.0093	0.6904	1.0454	2.0520	0.1412	0.0616
N1-methylinosine	1.2010	0.2446	0.2348	1.4661	NA	NA
N2-acetyllysine	0.7869	0.7468	1.0906	1.0954	1.1450	1.1353
N2-acetyl,N6-methyllysine	0.7136	0.8362	1.2166	0.7829	1.1799	0.8049
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))	0.5657	3.0543	0.4904	0.5293	0.6807	0.6796
N2,N2-dimethylguanosine	0.9716	0.6127	1.4483	2.3846	0.0637	0.0466
N2,N6-diacetyllysine	0.8129	0.9810	0.8643	0.8963	1.2579	1.1876
N4-acetylcytidine	0.6397	2.4877	0.8175	0.7838	1.2173	1.0447
N6-acetyllysine	0.5727	2.2697	1.0878	0.7622	0.7289	0.5788
N6-carbamoylthreonyladenosine	0.8906	0.7635	1.0772	0.9486	1.2748	1.0453
N6-carboxymethyllysine	0.9457	0.5952	1.1339	1.0623	1.2224	1.0405
N6-methyladenosine	1.2153	1.5733	0.1703	1.0001	1.4525	0.4849
N6-methyllysine	0.6811	2.6491	0.6786	0.7048	0.7202	0.5661
N6,N6-dimethyllysine	0.6468	2.8410	0.3386	0.2194	0.1643	0.1627
N6,N6,N6-trimethyllysine	0.7801	1.5564	1.1261	0.8939	0.8380	0.8055
N6-succinyladenosine	0.8536	1.3309	0.9245	0.9249	1.0562	0.9379
N-acetyl-1-methylhistidine*	0.7791	0.5925	1.2251	0.8984	1.3682	1.1368
N-acetyl-3-methylhistidine*	0.8450	0.6059	1.2248	1.0231	1.2720	0.9307
N-acetylalanine	0.1547	0.8171	1.5294	1.4222	0.4861	1.5905
N-acetylarginine	1.0043	0.5685	0.9648	1.1595	1.1093	1.1935
N-acetylasparagine	0.6469	1.1150	0.8850	0.5464	1.8289	0.9778
N-acetylaspartate (NAA)	0.0863	3.0955	1.9180	0.0470	0.7647	0.0885
N-acetyl-aspartyl-glutamate (NAAG)	0.4043	0.6780	0.7927	1.7593	0.6842	1.6815
N-acetyl-beta-glucosaminylamine	1.0797	0.7985	1.1457	0.6079	1.1281	1.2401
N-acetyl-cadaverine	0.2061	1.3335	3.3745	0.1840	0.5503	0.3516
N-acetylcitrulline	0.5693	1.1039	0.7123	0.5151	1.6571	1.4423
N-acetylglucosamine/N-acetylgalactosamine	0.3055	3.0388	1.4496	0.3617	0.5498	0.2946
N-acetylglucosaminylasparagine	0.0295	0.0963	0.1253	0.2809	0.6052	3.9006
N-acetylglutamate	0.2752	2.2248	0.8741	0.2799	1.4434	0.9025
N-acetylglutamine	0.6408	2.1211	0.5462	0.3414	1.6097	0.7408
N-acetylglycine	0.8114	1.6354	0.7993	0.6315	1.2800	0.8424
N-acetylhistamine	0.0321	0.7725	2.9175	0.0721	2.1161	0.0897
N-acetylhistidine	0.4333	1.8309	0.8130	0.4170	1.6086	0.8972
N-acetylisoleucine	0.3070	0.7346	1.5464	0.9978	0.7671	1.5605
N-acetyl-isoputreanine*	0.9588	0.8814	1.0497	1.1161	1.1436	0.8504
N-acetylleucine	0.3795	1.2316	1.4969	0.9407	0.7172	1.2340
N-acetylmethionine	0.1147	0.9091	1.7228	1.3429	0.2401	1.6704
N-acetylmethionine sulfoxide	0.4324	0.5381	1.4776	1.3547	0.6299	1.5673
N-acetylmuramate	0.3119	3.3250	0.5590	NA	0.3456	0.1335
N-acetylneuraminate	0.6085	3.2142	0.6699	0.8729	0.3728	0.1563
N-acetylphenylalanine	0.4538	2.2363	1.0433	0.6617	0.8771	0.7277
N-acetylproline	0.6864	0.4402	1.1312	1.0991	1.2728	1.3703
N-acetylputrescine	0.4387	0.4328	2.6081	0.7094	1.1065	0.7044
N-acetylserine	0.1706	1.1241	1.5369	1.2188	0.3771	1.5725
N-acetyltaurine	0.7661	0.5645	0.9909	1.0870	1.5199	1.0717
N-acetylthreonine	0.0925	0.7850	1.9359	1.3851	0.2164	1.4717
N-acetyltryptophan	0.5358	0.9738	0.5700	0.3190	2.9301	0.6712
N-acetyltyrosine	0.2477	0.9700	0.3656	0.1884	3.0160	1.0094
N-acetylvaline	0.1877	0.6810	1.7281	1.1533	0.5092	1.4763
N-alpha-acetylornithine	0.6768	1.6190	0.9917	0.7870	0.9650	0.9606
N-arachidonoyltaurine	NA	1.0000	NA	NA	NA	NA
naringenin	1.1214	0.5928	1.2332	0.3313	1.7571	0.8121
naringenin 7-glucuronide	0.8581	0.6243	1.0931	1.0644	1.3045	1.0557
N-carbamoylalanine	0.4443	1.7240	1.0600	0.6245	0.8139	1.5142
N-delta-acetylornithine	0.6819	1.7033	0.9387	0.7839	1.0502	0.8421
nervonoylcarnitine (C24:1)*	NA	1.0000	NA	NA	NA	NA
N-formylanthranilic acid	0.8951	1.1050	0.9634	0.8107	1.0214	1.1348
N-formylmethionine	0.3891	0.9360	1.6695	0.6207	0.9525	1.4321
N-formylphenylalanine	0.8025	1.6968	0.7669	0.5033	1.1713	0.8730
N-glycolylneuraminate	NA	2.7918	0.1064	0.1018	NA	NA
nicotinamide	0.8996	1.6088	0.5512	1.8832	0.5788	0.4783
nicotinamide N-oxide	1.1139	1.3124	0.4001	1.5179	0.6366	1.0191
nicotinamide riboside	0.4990	1.3739	1.3614	0.3768	1.4202	0.9687
nicotinate	1.0360	1.4117	0.7633	0.1464	1.5361	1.1064
nicotinate ribonucleoside	0.9948	1.1567	0.9025	0.3376	1.7210	0.8874
nisinate (24:6n3)	0.1063	2.4337	0.0839	0.0754	0.2960	1.5676
N-linoleoylserine*	NA	1.0000	NA	NA	NA	NA
N-linoleoyltaurine*	0.1516	1.7632	0.0736	0.1221	NA	NA
N-methyl-GABA	1.1744	0.5688	0.8238	0.7868	1.3143	1.3318
N,N-dimethyl-5-aminovalerate	0.8037	0.8676	0.7194	0.8193	1.4516	1.2556
N,N,N-trimethyl-5-aminovalerate	0.9338	1.5634	0.7219	0.9162	1.1169	0.7479
N,N,N-trimethyl-alanylproline betaine (TMAP)	0.8997	0.4945	1.2239	1.1746	1.2329	0.9745
N-oleoylserine	NA	1.0000	NA	NA	NA	NA
N-oleoyltaurine	0.0700	1.3921	NA	NA	NA	0.0928
nonadecanoate (19:0)	0.6063	2.0090	0.4071	0.7791	0.6269	1.5716
N-palmitoylglycine	0.4674	1.2853	0.2706	NA	NA	0.5502
N-palmitoyl-phytosphingosine (t18:0/16:0)	0.5606	3.1961	0.5731	0.4922	0.6064	0.5717
N-palmitoyl-sphingadienine (d18:2/16:0)*	0.7148	3.8668	0.3936	0.2057	0.4680	0.3511
N-palmitoyl-sphinganine (d18:0/16:0)	0.9408	2.2081	0.7319	0.6584	0.7444	0.7164
N-palmitoyl-sphingosine (d18:1/16:0)	0.5094	3.0722	0.4987	0.7064	0.4975	0.7158
N-palmitoyltaurine	NA	1.0000	NA	NA	NA	NA
N-stearoyl-sphinganine (d18:0/18:0)*	0.8325	1.7015	0.8909	0.6955	1.0382	0.8414
N-stearoyl-sphingosine (d18:1/18:0)*	1.0013	1.0859	1.1562	0.6003	1.2579	0.8984
N-stearoyltaurine	NA	1.0000	NA	NA	NA	NA
OAHSA (18:1/OH-18:0)	0.8533	0.9751	1.6203	0.4878	1.4141	0.6493
octadecanedioate (C18-DC)	1.0639	1.8056	0.6477	0.6767	0.6140	1.1560
octadecanedioylcarnitine (C18-DC)*	1.5519	0.4156	0.9530	1.2782	0.7855	0.9427
octadecenedioate (C18:1-DC)*	0.7398	2.2485	0.7286	0.4698	1.0175	0.7958
octadecenedioylcarnitine (C18:1-DC)*	1.3312	0.4480	0.9943	1.3991	0.9721	0.8553
octanoylcarnitine (C8)	0.9126	0.8506	1.0529	1.0692	1.2710	0.8437
oleate/vaccenate (18:1)	0.5022	2.1835	0.3263	0.5378	0.8038	1.6464
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*	0.1232	0.2707	0.1471	NA	0.2911	5.7169
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	0.0950	0.4083	0.2091	0.0822	0.2150	4.2852
oleoylcarnitine (C18:1)	0.6619	3.3052	0.3766	0.4307	0.4572	0.7684
oleoylcholine	0.5636	2.9518	0.5008	0.3073	0.6743	1.0022
oleoyl ethanolamide	0.6217	2.8753	0.6028	0.3745	0.9364	0.5893
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*	0.0154	0.0835	0.1658	0.0370	0.0896	4.6284
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	0.2903	0.2845	0.3736	0.0715	0.3306	4.6495
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	0.1526	0.2911	0.4502	0.1127	0.3246	4.6688
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*	0.0184	0.0324	0.0477	NA	0.0183	4.2339
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	0.1771	0.1355	0.5661	0.0758	0.3552	4.6904
ornithine	0.2334	3.5819	2.0188	0.1211	0.0252	0.0196
orotate	1.3652	0.1797	0.0112	0.6402	0.0747	2.6587
orotidine	0.8642	0.7640	0.9094	0.9980	1.2646	1.1998
O-sulfo-L-tyrosine	0.6435	1.8105	0.8544	0.6563	1.2903	0.7451
o-Tyrosine	0.5291	2.3094	0.9483	0.6268	0.7689	0.5315
oxalate (ethanedioate)	1.1952	1.1265	0.7450	1.2174	0.8463	0.8697
PAHSA (16:0/OH-18:0)	0.9274	0.8100	1.7933	0.4818	1.2471	0.5449
palmitate (16:0)	0.6244	2.0822	0.4394	0.7039	0.7464	1.4037
palmitoleate (16:1n7)	0.3893	1.4975	0.3120	0.3338	0.8768	2.5907
palmitoleoylcarnitine (C16:1)*	1.0220	1.9350	0.6721	0.7038	0.5574	1.1096
palmitoleoyl ethanolamide*	0.8877	2.0156	0.5923	0.5459	1.2121	0.7463
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*	0.0766	0.1602	0.0993	0.0343	0.1428	5.1517
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*	1.0023	2.2487	0.7069	0.3821	0.5198	0.3868
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*	0.3935	1.6381	0.6694	0.2308	0.4729	2.5953
palmitoylcarnitine (C16)	0.7257	3.3488	0.4583	0.4617	0.3020	0.7034
palmitoylcholine	0.6269	3.4807	0.3543	0.3652	0.5247	0.6482
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	0.8230	1.6167	0.7734	0.9196	0.8244	1.0429
palmitoyl ethanolamide	0.7164	2.4631	0.5684	0.5432	0.9996	0.7094
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*	0.0988	0.3175	0.2766	0.0870	0.1491	2.9555
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	0.6044	0.6358	0.7131	0.1485	0.5972	3.3010
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	0.3078	0.6847	0.9237	0.1958	0.6084	3.2796
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*	0.1365	0.1598	0.2121	0.0983	0.1192	4.5920
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	0.4897	0.4094	1.3983	0.1406	0.8003	2.7617
palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]*	0.2992	0.3726	0.9056	NA	0.8405	2.9640
palmitoyl sphingomyelin (d18:1/16:0)	0.5900	2.6523	0.6519	0.6380	0.6276	0.8401
pantothenate	0.4645	2.9415	0.7813	0.2237	1.0466	0.5424
p-cresol glucuronide*	1.1896	3.4521	0.0144	0.0119	0.3214	0.0234
p-cresol sulfate	0.3830	2.4129	NA	NA	0.0905	NA
pentadecanoate (15:0)	0.6826	2.0743	0.4789	0.7644	0.7064	1.2935
phenethylamine	0.8162	0.8363	0.8009	0.5656	1.2883	1.3708
phenylacetate	1.2822	2.1982	NA	NA	0.1254	0.0307
phenylacetylglycine	0.8666	3.9434	0.1317	0.1678	0.1703	0.1956
phenylacetyltaurine	1.3897	0.9574	0.6051	0.6425	1.0816	1.3015
phenylalanine	0.8399	2.5615	0.7812	0.4351	0.7385	0.6438
phenylalanylalanine	0.8935	1.7986	0.5038	0.6914	0.4288	1.5263
phenylalanylglycine	0.7641	2.9349	0.4415	0.4735	0.5153	0.8707
phenyllactate (PLA)	1.9898	2.3274	0.7338	0.0635	0.2787	0.2556
phenylpyruvate	1.2878	3.1539	0.2813	0.1753	0.7395	0.3624
pheophorbide A	0.5471	0.2804	0.4503	2.8417	0.8990	0.4955
pheophytin A	1.0252	0.4926	0.8615	1.4055	1.0033	1.0971
phosphate	1.1657	1.7246	0.7470	0.8996	0.5742	0.8889
phytosphingosine	1.0088	1.6407	0.9949	0.5553	1.0603	0.7400
picolinate	0.8188	1.0971	1.0451	0.6150	1.2748	1.1492
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	1.0688	1.0092	0.9091	1.0681	0.7301	1.2147
pinitol	0.8332	0.4622	1.0463	1.0846	1.5909	0.9828
pinosylvin monomethylether	0.9815	0.6614	1.2373	0.2890	2.0403	0.6174
pipecolate	0.6278	0.7574	0.4776	0.1335	1.7076	2.2960
pro-hydroxy-pro	0.3067	0.2269	2.5802	2.4233	0.2442	0.2188
proline	0.4844	1.6686	1.6349	1.3308	0.4556	0.4257
prolylglycine	0.5288	2.0041	0.9642	1.4453	0.6002	0.4574
propionylcarnitine (C3)	0.4305	2.6294	0.1579	0.1622	0.9654	1.2346
propionylglycine	0.4345	1.2424	NA	NA	NA	NA
protoporphyrin IX	1.0022	0.7749	1.2442	1.5833	0.8950	0.5004
pseudouridine	0.6787	2.3690	0.8741	0.7671	NA	0.0815
putrescine	0.0260	NA	NA	NA	1.2435	NA
pyridoxal	0.9544	2.0322	0.7549	0.3349	1.1951	0.7285
pyridoxamine	1.0491	1.7381	0.5205	0.7121	0.9150	1.0652
pyridoxate	0.8403	0.5511	1.0686	0.9223	1.4455	1.1722
pyroglutamine*	0.9984	1.1654	0.9625	1.0449	0.9094	0.9195
pyrraline	0.8307	0.8550	1.1919	1.0711	1.1399	0.9114
pyruvate	1.0251	2.0205	0.7142	0.6743	0.7915	0.7744
quinate	0.8074	0.4373	1.1950	1.2458	0.7699	1.5446
quinolinate	0.7990	0.6960	1.1454	1.1109	1.2148	0.9580
(R)-3-hydroxybutyrylcarnitine	0.1718	1.7070	0.1547	NA	0.1383	NA
raffinose	1.1162	0.4557	1.2445	1.3166	0.7062	1.1609
retinol (Vitamin A)	0.6304	2.1072	0.6702	0.6409	0.7951	1.1561
ribitol	NA	0.4777	1.3776	1.0249	0.7969	1.1452
riboflavin (Vitamin B2)	0.4862	2.1201	0.6773	0.0995	1.1027	1.5142
ribonate	0.8016	0.5256	1.0427	1.3197	1.1547	1.1557
ribose	0.6065	4.1822	0.2857	0.5487	0.2226	0.1543
ribulonate/xylulonate/lyxonate*	0.8874	0.5168	0.9755	1.1733	1.2718	1.1751
ribulose/xylulose	0.5088	1.0129	1.1261	0.6159	1.8152	0.9211
(S)-3-hydroxybutyrylcarnitine	0.4321	3.0261	0.3076	0.2041	0.2569	0.4806
S-(3-hydroxypropyl)mercapturic acid (HPMA)	0.8088	0.5796	1.1157	0.9556	1.3822	1.1581
saccharopine	0.9754	0.5282	1.1537	1.1616	1.2997	0.8814
salicylate	2.5875	0.8161	0.5275	0.4180	0.4567	1.1943
sebacate (C10-DC)	1.0629	0.6649	0.9180	1.2610	0.9887	1.1044
sedoheptulose	0.3977	2.4811	0.4933	0.4046	NA	NA
serine	0.6620	2.9155	0.6014	0.7487	0.5655	0.5069
serotonin	0.4220	NA	1.0066	0.3241	1.0913	1.4699
shikimate	0.9000	0.4569	1.2748	1.2822	0.7277	1.3585
sinapate	0.4387	0.7159	0.4398	0.5352	3.1834	0.6870
S-methylcysteine	NA	1.0000	NA	NA	NA	NA
soyasaponin I	0.9884	0.8597	0.9909	1.1300	1.0975	0.9335
soyasaponin II	1.0353	0.8895	1.0050	1.0954	1.0855	0.8893
soyasaponin III	1.0209	0.9793	0.9938	1.0837	1.0519	0.8704
spermidine	1.2709	0.8824	0.5993	1.3498	1.1116	0.7860
spermine	1.5165	1.2281	0.2241	1.4793	0.7272	0.7662
sphingadienine	0.6217	1.9306	0.8103	0.6160	1.0060	1.0155
sphinganine	0.9373	1.3115	0.9078	0.8078	1.0023	1.0333
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	0.5685	1.8857	0.8105	0.7677	0.7849	1.1826
sphingomyelin (d18:0/18:0, d19:0/17:0)*	0.9666	1.1787	0.6508	1.1331	0.7828	0.9353
sphingomyelin (d18:1/14:0, d16:1/16:0)*	0.6063	1.1208	1.0795	1.0276	0.9599	1.2059
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)	0.5314	2.1710	0.5056	0.6599	0.5713	0.6523
sphingomyelin (d18:1/20:0, d16:1/22:0)*	0.8346	1.5599	0.6912	0.8904	0.8031	1.1341
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*	1.0821	0.9421	1.1287	0.8138	1.0231	0.9846
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	0.5651	1.3711	0.9216	1.0768	0.9894	1.0760
sphingomyelin (d18:1/24:1, d18:2/24:0)*	0.7028	1.6489	0.9195	0.9582	0.8862	0.8844
sphingomyelin (d18:2/24:1, d18:1/24:2)*	0.4821	3.3127	0.5037	0.5777	0.4608	0.6630
sphingosine	0.7682	1.7262	0.8342	0.6504	1.0290	0.9919
stachydrine	2.1187	1.2444	0.0744	0.0999	2.3640	0.0986
stachyose	1.1417	0.4795	1.3398	1.2810	0.5112	1.2468
stearate (18:0)	0.6558	2.1458	0.4912	0.9297	0.6983	1.0792
stearidonate (18:4n3)	0.6578	1.5053	0.6050	0.5580	0.9518	1.7221
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*	0.3091	1.7071	0.2903	0.0904	0.2064	5.5125
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	0.2299	2.4592	0.2406	0.1136	0.1443	1.8330
stearoylcarnitine (C18)	0.4638	4.3146	0.2691	0.3463	0.2375	0.3687
stearoylcholine*	0.3588	2.8324	0.1308	NA	0.2054	0.2671
stearoyl ethanolamide	0.8357	1.7842	0.7812	0.8371	0.7930	0.9687
stearoyl-linoleoyl-glycerol (18:0/18:2) [1]*	0.3137	0.2361	0.2673	0.0578	0.2085	5.6998
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*	0.2058	0.4556	0.6917	0.0745	0.3725	4.2000
stearoyl sphingomyelin (d18:1/18:0)	0.6742	1.7189	0.7555	0.7687	0.8006	1.2821
stigmastadienone	1.0524	0.8505	1.0313	1.0878	1.0968	0.8813
stigmasterol	0.9807	0.8712	0.9538	1.1854	1.1322	0.8767
suberate (C8-DC)	0.9211	0.5445	0.8797	0.9509	1.1218	1.5821
suberoylcarnitine (C8-DC)	0.7345	0.3426	0.6790	1.1272	0.9046	1.5724
succinate	1.2424	2.5446	0.3137	0.2113	1.0067	0.6812
succinimide	0.9248	0.7400	0.9537	0.7897	1.3085	1.2834
succinylcarnitine (C4-DC)	0.9614	0.8100	1.0264	0.9693	1.2248	1.0080
sucrose	1.1251	0.5855	1.1505	1.1632	0.8708	1.1049
sulfate*	0.6716	3.1609	0.3660	0.4430	0.6646	0.6939
syringic acid	0.7521	0.3972	0.8068	0.9864	2.1047	0.9528
taurine	0.3169	4.7979	0.1836	0.0962	0.4027	0.2026
tauro-beta-muricholate	1.1581	2.1658	0.5370	0.2199	1.0302	0.8889
taurochenodeoxycholate	0.8708	2.4443	0.4877	0.2650	1.1901	0.7421
taurochenodeoxycholic acid 7-sulfate	0.7360	0.5932	1.0318	1.0842	1.5871	0.9677
taurocholate	1.3604	2.1805	0.5159	0.3000	0.9175	0.7257
taurocholenate sulfate*	0.9127	0.5162	1.1772	0.9276	0.8164	1.6500
taurohyocholate*	1.2366	1.5579	0.6425	0.1323	1.1770	1.2536
taurohyodeoxycholic acid	1.1775	1.9652	0.4553	0.1274	1.1139	1.1608
tauroursodeoxycholate	1.0500	2.5303	0.4379	0.1844	1.0800	0.7173
tetradecadienoate (14:2)*	1.0717	1.4612	0.9797	0.5462	1.0261	0.9152
thiamin (Vitamin B1)	0.5580	1.9488	1.1444	0.8605	0.7057	0.7826
thioproline	0.3118	0.7816	1.6920	1.1214	0.5996	0.2687
threonate	0.6727	1.1740	0.7410	1.0871	0.9037	1.4215
threonine	0.4141	2.2903	0.9659	1.3624	0.5344	0.4329
threonylphenylalanine	1.1906	1.3986	0.4170	0.8289	0.4985	1.7163
thymidine	1.0971	2.3520	0.1844	1.4062	0.5459	0.4144
thymidine 5^-monophosphate	NA	1.0000	NA	NA	NA	NA
thymine	0.5042	2.1220	0.9255	0.1201	1.1878	1.1404
trans-4-hydroxyproline	0.2676	0.3772	2.4325	2.0717	0.3992	0.4518
trans-urocanate	0.3623	0.1930	0.3756	0.3697	2.1588	2.5406
tricosanoyl sphingomyelin (d18:1/23:0)*	0.9024	1.3594	0.7973	1.0767	0.8878	0.8179
trigonelline (N^-methylnicotinate)	0.9484	3.1088	0.4832	0.4685	0.4933	0.4979
tryptamine	NA	NA	0.0066	0.0062	0.6765	1.6961
tryptophan	0.8092	2.9244	0.7297	0.4426	0.5917	0.5024
tryptophylglycine	0.8885	1.8107	0.4153	0.6587	0.5390	1.6148
tyramine	0.0381	0.0766	5.3768	0.0405	0.1281	0.3400
tyrosine	0.7538	2.9675	0.6274	0.4345	0.6766	0.5402
tyrosol	0.1172	2.2855	1.5856	NA	0.1232	0.1187
tyrosylglycine	0.6765	3.4504	0.5271	0.4512	0.3078	0.5869
undecanedioate (C11-DC)	0.9632	0.8791	0.8686	0.8610	1.1388	1.2892
uracil	0.5450	3.9475	0.4129	0.1481	0.4195	0.5271
urate	0.2565	4.6693	0.2908	0.4363	0.2393	0.1077
urea	0.8326	2.3025	0.6666	0.7834	0.7968	0.6180
uridine	1.4931	2.2492	0.0904	1.5335	0.3344	0.2994
ursocholate	1.5357	0.7348	1.0449	0.7463	0.8001	0.8755
ursodeoxycholate	NA	0.5133	NA	NA	1.3173	0.2391
valine	0.7798	2.5650	0.8549	0.5042	0.7123	0.5837
valine betaine	0.7830	0.4217	1.1552	1.1831	1.3184	1.1388
valylglutamine	1.0369	0.6691	1.0812	0.5110	1.3198	1.3821
valylglycine	0.8951	1.4879	0.7901	0.4284	1.3421	1.0563
valylleucine	1.0140	0.5260	0.7603	0.7560	0.8344	2.1092
vanillactate	0.6467	0.6103	0.8285	0.7401	1.9529	1.1241
verbascose	1.0158	0.6285	1.2303	1.2788	0.7274	1.1192
xanthine	0.7546	2.7326	0.8169	0.6775	0.3852	0.6331
xanthosine	1.4764	1.4642	0.0875	1.8541	0.2264	0.1019
xanthurenate	1.9221	1.4611	0.3091	NA	0.8771	0.8923
ximenoylcarnitine (C26:1)*	NA	1.0000	NA	NA	NA	NA

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1	Treatment:C. difficile monocolonized
F2	Treatment:C. sardiniense + C. difficile co-colonized
F3	Treatment:C. sardiniense monocolonized
F4	Treatment:Germfree
F5	Treatment:P. bifermentans + C. difficile co-colonized
F6	Treatment:P. bifermentans monocolonized