Metabolite_name	RefMet_name	NACH-00276	NACH-00277	NACH-00278	NACH-00279	NACH-00280	NACH-00281	NACH-00271	NACH-00272	NACH-00273	NACH-00274	NACH-00275
Factors	-	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:GOS
10-heptadecenoate (17:1n7)	10Z-Heptadecenoic acid	1.1899	0.9538	1	1.0506	0.9957	1.3487	0.9526	0.6688	1.6242	1.9104	0.5984
10-nonadecenoate (19:1n9)	Nonadeca-10Z-enoic acid	1.0811	0.8384	1	0.9090	0.9298	1.2463	1.1126	0.6710	1.6451	1.5703	0.5523
10-undecenoate (11:1n1)	10-Hendecenoic acid	1.4613	0.8937	1.0750	0.5852	1	0.6517	2.4068	0.6735	1.5112	1.4624	0.7200
12_13-DiHOME	12,13-DiHOME	1.0637	1.1867	1	0.7206	0.9900	0.7713	1.3257	0.5118	1.2120	1.0882	0.4455
12-HEPE	12-HEPE	1.3346	1.0400	0.3657	0.9453	1.4010	0.7520	0.4390	1.0968	1	1.5631	0.3278
12-HETE	12-HETE	0.8951	1.0629	0.3582	1	1.5063	0.7802	1.4152	1.0997	0.8267	1.2224	0.3275
12-HHTrE	12S-HHTrE	0.6790	0.8808	0.4910	0.8426	1.6468	1.0788	1.9161	1.2142	1.1166	1	0.4504
(12 or 13)-methylmyristate (a15:0 or i15:0)	Isopentadecylic acid	1.1164	0.8538	1	0.8799	0.8594	1.1646	1.4032	0.8098	1.5299	1.3499	0.7722
13-HODE + 9-HODE	HODE	1.3737	1.0817	1.0561	0.9088	0.8754	0.8586	1	0.5747	1.0234	1.1681	0.3706
14-HDoHE/17-HDoHE		1.5625	0.8964	0.4103	1.0696	1.0296	0.9489	0.7763	1.0630	1	1.4695	0.3191
(14 or 15)-methylpalmitate (a17:0 or i17:0)	Methylpalmitic acid	1.0341	0.8825	0.9531	1	0.9184	1.3137	1.0764	0.8042	1.4342	1.4871	0.6268
1_5-anhydroglucitol (1_5-AG)	1,5-Anhydrosorbitol	1	1.0109	1.0324	0.8817	0.7543	1.0391	0.9416	0.8774	0.9095	1.0665	1.0139
16-hydroxypalmitate	Juniperic acid	1	1.1126	1.0265	0.5119	0.5783	0.6116	1.6623	0.6075	1.2474	1.1992	0.4303
(16 or 17)-methylstearate (a19:0 or i19:0)	Methyloctadecanoic acid	0.9749	0.7538	1.0505	1	0.9100	1.2277	1.3275	0.8610	1.4733	1.8188	0.5996
18-methylnonadecanoate (i20:0)	Isoarachidic acid	1	0.6408	1.0957	1.0648	1.0386	1.0133	1.1308	0.6243	0.6442	0.7309	0.6829
1-arachidonoyl-GPA (20:4)	LPA 20:4/0:0	1.1136	0.8024	1	1.2513	0.9679	1.1404	1.0055	0.8957	0.6982	1.0457	0.7393
1-arachidonoyl-GPI (20:4)*	LPI 20:4/0:0	1.2985	1	1.0514	1.1219	0.8636	0.8727	0.5702	0.8251	1.0613	1.2198	0.8118
1-arachidonylglycerol (20:4)	MG 20:4	1.3504	1	1.2986	1.0815	0.5676	0.8572	1.9471	0.3904	0.4579	1.4274	0.7323
1-carboxyethylisoleucine	1-Carboxyethylisoleucine	1.1533	1.0972	0.7097	1	1.2762	0.7717	0.8587	1.6985	0.8728	0.5289	1.5614
1-carboxyethylleucine	1-Carboxyethylleucine	1	1.1746	0.5754	0.9699	1.1640	0.5853	1.1893	1.6387	0.9574	0.6080	1.3466
1-carboxyethylphenylalanine	1-Carboxyethylphenylalanine	1	1.1753	0.5399	0.8827	1.1298	0.4991	2.0550	1.5676	0.9292	0.6132	1.2113
1-carboxyethyltyrosine	1-Carboxyethyltyrosine	0.9891	1	0.6031	0.6754	0.9853	1.1619	4.6688	2.0896	1.1179	0.5773	2.2199
1-carboxyethylvaline	1-Carboxyethylvaline	1.0823	1.1261	0.5525	0.9087	1	0.8146	1.1782	1.7611	0.9822	0.7706	1.2792
1-dihomo-linolenylglycerol (20:3)	MG 20:3/0:0/0:0	1	0.5608	1.8011	1.7049	1.0930	1.9680	0.4555	0.7900	0.5474	0.9367	1.1977
1-dihomo-linoleoylglycerol (20:2)	MG 20:2	1	0.7614	1.1911	1.4695	0.6750	1.3862	0.6168	0.4689	1.1279	1.8209	0.8080
1-docosahexaenoylglycerol (22:6)	MG 22:6	1.3739	0.8153	1.7238	1.5647	0.6924	1	1.7782	0.3687	0.8254	1.8135	0.8581
1-heptadecenoylglycerol (17:1)*	MG 17:1/0:0/0:0	1	0.4844	1.2670	1.9435	1.1529	2.2615	0.2118	0.9651	0.5551	1.6104	0.8127
1H-indole-7-acetic acid	1H-Indole-7-acetic acid	1.0775	1	0.9127	1.0882	1.0412	0.8844	0.9014	0.8108	0.6706	1.2246	1.2331
1-linolenoylglycerol (18:3)	MG 18:3	1	0.6983	1.2280	1.4048	0.7625	1.2392	0.4553	0.8756	1.1469	1.7010	0.9727
1-linoleoylglycerol (18:2)	MG 18:2	1.3246	0.8500	1.4814	1.8168	0.9370	1.6551	0.6704	0.6583	0.7039	2.1318	1
1-linoleoyl-GPA (18:2)*	LPA 18:2/0:0	1	0.6770	1.0690	1.0927	0.8538	1.1577	1.4042	0.7453	0.7290	1.0458	0.9432
1-linoleoyl-GPG (18:2)*	LPG 18:2/0:0	1.1018	0.6745	0.7181	1.2322	0.8284	1.1208	1.1511	0.6410	1	1.0795	0.6504
1-linoleoyl-GPI (18:2)*	LPI 18:2/0:0	1.2723	0.9466	1.1611	0.9627	0.7907	0.8051	1.0676	1	1.0798	1.2057	0.9270
1-linoleoyl-GPS (18:2)*	LPS 18:2	1.2693	0.6015	0.9373	1.3975	1.2954	2.4578	0.5888	0.8408	2.1228	1	0.3841
1-myristoylglycerol (14:0)	MG 16:3	0.9997	0.9809	1.3021	1.7857	0.8698	1.4756	0.8698	0.9360	1.0003	2.0382	0.9674
1-oleoylglycerol (18:1)	MG 18:1/0:0/0:0	1.0603	0.5556	1	2.1239	0.9983	2.1313	0.2201	0.7399	1.3572	1.7733	0.6322
1-oleoyl-GPG (18:1)*	LPG 18:1/0:0	1.1274	0.6435	0.5809	1.4409	1	1.6562	1.2243	0.7548	0.8019	1.0190	0.7414
1-oleoyl-GPI (18:1)	LPI 18:1/0:0	1.1842	0.8453	0.8987	1.0333	1.0414	1	1.0047	1.0130	0.8893	0.8998	0.7543
1-oleoyl-GPS (18:1)	LPS 18:1/0:0	1	0.7969	0.7114	1.3200	1.6664	3.5182	0.8470	1.4819	1.4591	0.4509	0.7776
1-palmitoleoylglycerol (16:1)*	MG 16:1	0.8529	0.6989	1.1524	1.9006	1	1.6550	0.1731	0.9962	1.2847	4.0577	0.7474
1-palmitoylglycerol (16:0)	MG 16:0/0:0/0:0	0.9040	0.6330	1.7971	1.2637	0.8061	1.9656	0.6847	0.7552	1.1118	1.1911	1
1-palmitoyl-GPA (16:0)	LPA 16:0/0:0	0.8339	0.8516	1.1947	1.2296	1.1063	1.4116	0.7699	0.9355	0.6396	1	1.2986
1-palmitoyl-GPG (16:0)*	LPG 16:0/0:0	1.1823	0.6460	0.7069	1.3123	0.8788	1.6409	1.5498	0.7264	1	1.0090	0.7747
1-palmitoyl-GPI (16:0)	LPI 16:0/0:0	1.3614	1	1.4516	1.0303	1.1093	0.8415	0.9360	0.9068	0.9450	0.9975	1.0515
1-palmitoyl-GPS (16:0)*	LPS 16:0/0:0	1.0736	1.0247	0.4955	1.5363	1.3456	1	0.6841	1.3461	0.8622	0.6270	0.6786
1-stearoyl-GPG (18:0)	LPG 18:0/0:0	1.3966	1.0514	0.7963	1.1601	1.0472	0.7396	1.9118	0.9015	0.7635	1	0.9817
1-stearoyl-GPI (18:0)	LPI 18:0/0:0	1.2970	1.1409	1.1368	1.0286	0.9141	0.7877	0.9377	0.7927	0.9096	1.0855	1
2_3-dihydroxy-2-methylbutyrate	2,3-Dihydroxy-2-methylbutanoic acid	0.7579	1	0.8790	0.8961	0.8076	1.0982	0.9686	1.6882	1.4265	1.1040	1.4065
2_3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	2,3-Dihydroxy-5-methylthio-4-pentenoic acid	1.2423	1.0760	0.9541	0.8256	0.9238	1.2386	0.8629	1.0945	1	0.8677	1.0500
2-amino-p-cresol sulfate		0.5092	1.6001	0.5813	1.0452	0.9548	1.4807	0.4156	0.6616	0.4156	1.3597	1.0976
2-aminophenol sulfate	2-Aminophenyl sulfate	1.0700	0.7934	1	0.6703	1.1175	1.8771	1.1368	0.9131	0.8565	0.6105	1.0514
2-arachidonoylglycerol (20:4)	MG 20:4	1	0.8838	1.6058	1.5654	0.6888	1.1625	1.6416	0.4964	0.7646	1.8847	0.6572
2^-deoxyuridine	Deoxyuridine	0.9262	1	1.0511	0.7864	0.8135	1.0278	2.0401	0.7328	0.7423	1.1036	1.2326
2-hydroxy-3-methylvalerate	2-Hydroxy-3-methyl-pentanoic acid	1.3043	1.2359	0.9069	1.0384	1.0373	1	0.7191	1.0329	0.8927	0.9671	0.8394
2-hydroxyarachidate*	2-Hydroxyeicosanoic acid	1.0258	1.0666	1.2456	0.7013	0.6807	0.6775	1.2581	0.4977	1.1261	1	0.8545
2-hydroxydecanoate	2-Hydroxycapric acid	1.2938	1.1000	1.1536	0.8273	1	0.6606	1.5167	0.5656	0.9588	1.1454	0.6343
2-hydroxylaurate	2-Hydroxylauric acid	1.3642	1.4611	1.0606	0.7790	0.9717	0.9398	1.2107	0.5849	1	1.0920	0.5604
2-hydroxyoctanoate	2-Hydroxyoctanoic acid	1.1527	1.0237	1.0201	0.8245	1.0940	0.7554	1.3171	0.6515	0.9667	1	0.8823
2-hydroxyoleate	2-Hydroxyoleic acid	1.1874	1.1821	1	1.0033	0.6386	0.9366	1.3057	0.5524	1.0485	0.9695	0.7258
2-hydroxypalmitate	2-Hydroxypalmitic acid	1.3549	1.5003	1	0.9062	0.9604	0.8723	1.5897	0.7606	1.1709	1.6338	0.7043
2-hydroxystearate	2-Hydroxystearic acid	1.3380	1.3370	0.8954	1.0988	1	0.9984	1.2448	0.8772	0.9519	1.3603	0.6810
2-linoleoylglycerol (18:2)	MG 18:2	1.2130	0.8268	1.2875	1.7082	0.8314	1.6707	0.6584	0.7657	1	2.9649	0.9031
2-methylbutyrylglycine	2-Methylbutyrylglycine	1.9331	1.2867	0.9571	0.9904	1.0471	1.0621	0.4689	1	0.7081	0.6051	1.2390
2-methylcitrate/homocitrate	Homocitric acid	0.9365	1.1468	0.7270	0.9250	1.0014	1.0432	0.4256	1.1240	0.9214	1.1819	1
2-naphthol sulfate	2-Naphthyl sulfate	1.4847	1.4780	1.3453	0.8473	1.0873	1.0109	0.5735	1	0.8968	0.8649	0.9039
2-oleoylglycerol (18:1)	MG 0:0/18:1(9Z)/0:0	0.9938	0.4951	1	2.1933	1.1097	3.1986	0.1711	0.8422	1.2801	1.1970	0.8153
2^-O-methyluridine	2'-O-Methyluridine	1.2987	1.6708	0.9589	0.9056	1.1982	0.8029	1.3384	1.1537	1	0.7699	0.8761
(2 or 3)-decenoate (10:1n7 or n8)	Decenoic acid	1.0183	0.9082	1	0.7474	0.8082	1.0591	1.3999	0.9562	1.1618	2.7019	0.7576
2-oxindole-3-acetate	2-Oxindole-3-acetate	0.5848	0.6438	1.1296	0.5848	1.2569	1.8221	0.9877	1.0533	0.8907	0.5848	1
2-palmitoleoylglycerol (16:1)*	MG 16:1	0.8123	0.4311	1.0144	1.6947	0.9100	1.2143	0.4311	0.9856	1.1693	2.5635	0.8031
2-palmitoleoyl-GPC (16:1)*	LPC 0:0/16:1	1.0504	1	0.6244	1.0015	1.1727	0.8270	0.5829	1.1853	0.8029	1.3099	0.7631
2-palmitoyl-GPC (16:0)*	LPC 0:0/16:0	1.1082	1	0.9107	1.0843	0.9936	0.8107	0.5878	1.0402	0.9917	1.0320	1.1143
2-stearoyl-GPE (18:0)*	LPE 0:0/18:0	1.2570	0.8912	1.2850	1.4497	1.2612	0.8660	0.8440	1	0.7400	0.9849	1.3587
3-(4-hydroxyphenyl)lactate	Hydroxyphenyllactic acid	1.2295	1.1369	0.7224	0.9758	1	0.7809	1.5286	1.2296	0.8352	0.9580	1.2844
3_4-methylene heptanoylglycine		1.5508	1.1091	1.0290	0.6066	1	0.7863	0.6591	0.6667	1.0166	1.1917	0.8105
3_5-dichloro-2_6-dihydroxybenzoic acid	3,5-Dichloro-2,6-dihydroxybenzoic acid	0.9181	1.2044	1.0091	0.8730	1	0.6740	0.9581	1.0640	0.8213	1.1745	1.1904
3beta-hydroxy-5-cholestenoate	Cholestenoic acid	0.6238	1.1466	0.8671	0.6238	1.0535	0.6238	3.7296	0.8131	0.9465	0.6238	1.1914
3-bromo-5-chloro-2_6-dihydroxybenzoic acid*	3-Bromo-5-chloro-2,6-dihydroxybenzoic acid	1.0957	1.1526	1.0612	0.8547	0.8665	0.5287	1.3282	1	0.8342	0.8783	1.0886
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**	3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid	1.0034	1.0883	0.9345	0.6787	0.9966	0.6787	0.6787	0.6787	1.1542	0.6787	0.6787
3-ethylphenylsulfate		0.9880	0.5611	1	1.0392	1.1794	1.6860	0.7720	1.2138	0.9269	0.9265	1.2934
3-formylindole	1H-Indole-3-carboxaldehyde	0.9973	0.7879	0.8764	1	0.9297	1.2663	1.6336	0.9552	1.0367	1.0871	1.1512
3-hydroxy-2-ethylpropionate	2-Ethyl-hydracrylic acid	1.4203	1.1167	0.8662	1.2783	1.1369	0.9681	0.3296	1	0.8963	1.1098	0.9328
3-hydroxydecanoate	3-Hydroxydecanoic acid	1.1626	1.0591	1	0.5612	0.8267	0.5172	1.4264	0.8560	1.2414	1.0851	0.5086
3-hydroxyhexanoate	3S-Hydroxyhexanoic acid	1.2092	1.0737	1.4644	0.5565	1	0.5771	1.1764	0.9234	0.9226	0.8523	1.3070
3-hydroxylaurate	3-Hydroxydodecanoic acid	1.4451	1.1128	1.1580	0.4303	0.8836	0.4975	1.5283	0.7260	1.4291	1	0.3180
3-hydroxymyristate	3-Hydroxytetradecanoic acid	1.3821	1.0844	1.1220	0.5264	0.8965	0.6056	1.3234	0.6405	1.1195	1	0.3558
3-hydroxyoctanoate	3-Hydroxyoctanoic acid	1.0934	1.0825	1	0.6117	0.8572	0.6791	1.2110	0.8592	1.0544	1.0498	0.6282
3-hydroxyoleate*		1.2911	1.1368	1	0.6429	0.7530	0.7377	1.7511	0.6768	1.2752	1.5855	0.3535
3-hydroxypalmitate	3-Hydroxyhexadecanoic acid	1.1244	0.8787	1.0957	0.7412	0.6449	1	2.1963	0.9921	1.1598	1.3109	0.6670
3-hydroxystearate	3-Hydroxystearic acid	1.0338	1.0403	1	0.5066	0.5283	0.4440	1.5978	0.6512	1.1794	1.0834	0.3559
3-indoleglyoxylic acid		1.2208	0.8207	0.7556	1	0.8117	0.9731	1.3679	1.0057	0.7790	1.0166	1.7326
3-indoxyl sulfate	Indoxyl sulfate	1.3056	1.1572	0.7202	1	1.2219	1.3396	0.7300	0.9481	1.2302	0.8807	0.4738
3-methyl-2-oxobutyrate	Ketoisovaleric acid	0.9993	1	1.3910	0.7919	0.7847	0.9100	1.9351	0.9895	1.6775	1.3422	1.0917
3-methyl-2-oxovalerate	3-Methyl-2-oxovaleric acid	1	1.0486	1.3660	0.9006	0.7911	0.8251	1.7149	0.9519	1.6973	0.8778	1.1685
3-phenylpropionate (hydrocinnamate)	Hydrocinnamic acid	0.6952	0.7039	0.9775	0.9290	1.3265	1.1236	4.1562	1	0.6242	1.3407	1.7850
4-acetylphenol sulfate	4-Acetylphenyl sulfate	0.4461	0.4461	1	0.4461	1.0136	0.4461	0.4461	0.9116	0.4461	0.4461	1.1034
4-allylcatechol sulfate		0.4007	0.7731	0.7317	1	2.6866	0.6315	0.8487	3.4439	2.2799	4.1898	4.1065
4-allylphenol sulfate	4-Allylphenol sulfate	0.7038	0.8008	0.7997	1.0214	0.9786	0.3690	0.3690	1.3651	1.2198	1.7936	1.1234
4-ethylcatechol sulfate		0.9410	0.6839	0.8725	0.8760	1	1.3662	0.9043	1.2765	1.1148	1.1864	1.5187
4-ethylphenylsulfate	4-Ethylphenol	0.9252	0.8545	0.8020	0.7829	1	1.2915	0.7689	1.3212	1.1628	1.3630	1.6671
4-hydroxycinnamate	cis-p-Coumaric acid	0.5829	0.8604	0.9210	1	1.3229	1.5315	0.9128	1.7964	2.7306	0.7321	1.8700
4-hydroxycinnamate sulfate	4-Hydroxycinnamate sulfate	0.3108	0.3108	0.9200	0.3108	0.8602	1.8416	0.3228	1.1714	1.0800	0.3108	1.1769
4-hydroxyhippurate	4-Hydroxyhippuric acid	0.9904	1	0.9087	0.9024	1.1589	1.4977	0.1457	1.5064	0.8562	1.0561	1.3956
4-hydroxyphenylacetate	4-Hydroxyphenyl acetate	0.7966	0.7099	0.9740	0.6406	0.6406	1.7935	1.5711	1.2808	0.9768	1.0232	1.3470
4-hydroxyphenylpyruvate	4-Hydroxyphenylpyruvic acid	1.0484	1.0478	0.8585	0.9316	0.7898	1	5.5370	1.7698	0.9194	0.9475	2.5722
4-methyl-2-oxopentanoate	Ketoleucine	1	0.9913	1.6958	0.9460	0.8651	1.2416	1.8969	0.9834	1.9866	0.8240	1.4478
4-methylbenzenesulfonate	Toluene-4-sulfonic acid	1.0565	0.9862	0.9803	1.3036	1	1.5786	0.5539	0.8404	0.9289	1.2472	1.1009
4-methylcatechol sulfate		0.9604	0.8557	1.2334	0.9854	1.8234	1.4881	1	1.1581	0.7149	1.1861	0.8364
4-methylhexanoylglycine		1.3686	1.2712	0.7981	0.8896	1.1895	0.7768	0.2522	1.0475	0.6987	1	1.2128
4-vinylguaiacol sulfate	4-Vinylguaiacol sulfate	0.9003	1.3677	1.0997	0.0893	0.0893	0.0893	0.0893	0.0893	0.0893	0.0893	0.0893
4-vinylphenol sulfate	4-Hydroxystyrene	2.2130	2.4199	2.0221	0.5397	0.6417	0.7547	0.4590	1	0.8457	1.0313	1.3203
5_6-dihydrouracil	Dihydrouracil	1.1652	1.8797	0.9065	1.0993	1.2521	0.4750	0.4750	1.0935	0.5328	0.7200	0.8015
5_6-dihydrouridine	5,6-Dihydrouridine	1.2050	1.3510	1	0.9843	1.2068	1.2702	0.6866	0.8313	0.9984	1.1020	0.9589
5-dodecenoate (12:1n7)	5-Dodecenoic acid	1.1370	1.2284	1	0.8880	0.8225	0.4978	1.3405	0.7616	1.0352	1.2254	0.5498
5-hydroxyhexanoate	5-Hydroxycaproic acid	1.1002	0.8959	0.8835	0.7912	1	1.0908	0.9287	1.0219	0.8840	1.0637	1.4256
5-hydroxyindoleacetate	5-Hydroxyindoleacetic acid	1.4767	1.3838	0.9778	0.8802	1	0.8196	1.6495	1.1802	0.9731	1.2031	0.9360
5-methyluridine (ribothymidine)	Ribothymidine	1.3102	1.1786	1	0.9483	1.1486	0.6674	1.1194	0.9304	0.7541	0.9906	1.1730
5-oxoproline	Pyroglutamic acid	0.8953	0.8665	1.3758	1	0.9318	2.4120	1.6869	0.8766	1.0572	0.9190	1.0754
6-beta-hydroxylithocholate	Murideoxycholic acid	1.4543	0.2879	0.9290	1	1.5098	1.7983	22.2684	0.8078	2.0817	0.3964	0.3025
6-hydroxyindole sulfate	6-Hydroxyindole sulfate	1.5788	0.9554	0.8779	1.2679	1.3473	1.4307	3.4627	0.9815	1	0.5670	0.9983
6-oxopiperidine-2-carboxylate	6-oxopiperidine-2-carboxylic acid	1.4858	0.9721	0.8778	0.9042	1	1.0534	0.8780	1.0735	1.3454	0.8036	1.0099
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	7alpha-Hydroxy-3-oxo-4-cholestenoic acid	0.9949	1.1069	1.0997	0.9511	1.0135	0.8788	7.0653	0.9628	1.0173	0.9849	1
7-ketodeoxycholate	7-Ketodeoxycholic acid	2.8392	0.4800	0.9279	1	1.7293	2.7348	35.8581	1.7023	0.9722	0.5978	0.8087
9_10-DiHOME	9,10-DiHOME	1.2151	1	0.9726	0.9280	0.9173	1.1023	1.7098	0.5565	1.4078	1.0858	0.5710
aconitate [cis or trans]	cis-Aconitic acid	1.0109	0.9428	0.9418	1	0.8892	1.2226	0.8526	1.0212	1.2347	0.9957	1.0396
adenosine 5^-diphosphoribose (ADP-ribose)	ADP-ribose	1.0136	1.0508	0.4100	1.1151	0.9137	2.7069	0.2978	0.9864	1.0388	0.2978	0.3091
adrenate (22:4n6)	Adrenic acid	2.0839	1	0.9564	1.0948	0.8788	1.0725	0.9532	0.6080	1.1644	1.1070	0.6143
alpha-CEHC	alpha-CEHC	0.6142	1.3069	0.6853	0.3728	0.5795	0.3728	1.9090	1.2613	0.9333	1.0667	1.1467
alpha-CEHC glucuronide*		0.8909	0.8909	1	0.8909	0.8909	0.8909	5.2580	0.8909	0.8909	0.9210	1.0801
alpha-CEHC glycine*		0.4310	1.5812	0.7238	0.4310	0.4310	0.4310	0.4310	1.2762	0.4310	0.4310	0.4310
alpha-hydroxyisocaproate	2-Hydroxyisocaproic acid	1.1115	1.0003	0.8595	0.9304	1	1.1320	1.1238	1.1973	0.9400	0.8782	0.9678
alpha-hydroxyisovalerate	2-Hydroxy-3-methylbutyric acid	1.2563	1.2419	1.0633	0.9210	1.0395	1.0727	0.9869	1	0.8337	0.9548	0.9044
alpha-muricholate	alpha-Muricholic acid	1.8070	0.1440	0.6957	0.5592	1	2.1366	16.6540	1.5553	1.0447	0.3607	0.6003
arachidate (20:0)	Arachidic acid	0.9873	0.6999	1.1601	1.1501	1	1.4775	0.9022	0.8366	0.9444	1.0359	1.1414
arachidonate (20:4n6)	Arachidonic acid	1.3303	1.0536	0.8257	1.0034	0.9785	1	0.9927	0.7904	1.3639	1.1901	0.6939
azelate (C9-DC)	Azelaic acid	1.2062	1.0314	1.1840	0.9454	1.3448	1.7724	0.4728	0.7168	0.4850	0.7285	1
benzoate	Benzoic acid	0.9183	0.9639	1.5429	1.2229	0.9348	2.4139	0.8332	0.9353	1.4502	1.5243	1
beta-hydroxyisovalerate	3-Hydroxyisovaleric acid	0.6925	0.4099	1.0051	0.4452	1.0932	0.8962	0.9735	1	1.0491	1.0138	1.2127
beta-muricholate	beta-Muricholic acid	2.3235	0.4479	0.8422	0.6613	1	1.7223	46.7989	1.3230	1.0392	0.9560	0.7200
biopterin	Biopterin	1.1881	1.0679	0.9435	0.9010	1	1.0375	0.6048	1.0014	0.9622	1.0724	0.8844
branched chain 14:0 dicarboxylic acid**		1.4503	1.1259	0.9917	1	1.9756	0.4366	0.3449	0.8788	0.4164	1.2626	3.2805
branched-chain_ straight-chain_ or cyclopropyl 10:1 fatty acid (1)*	Decenoic acid	1.1026	0.7592	0.9667	1.0333	1.3273	0.7592	0.8983	0.7592	0.7592	0.7592	0.7592
branched-chain_ straight-chain_ or cyclopropyl 10:1 fatty acid (2)*		1.7089	0.9385	1.2866	0.8810	1.5611	0.7359	0.7359	0.8935	0.9748	1.0252	1.0769
branched-chain_ straight-chain_ or cyclopropyl 10:1 fatty acid (3)*		0.6092	0.9923	1.2023	0.6092	0.9891	0.6092	0.6092	1.0352	0.6092	1.0077	0.6092
branched-chain_ straight-chain_ or cyclopropyl 12:1 fatty acid*		1.2914	0.9888	1.2034	0.5664	1	0.5761	1.8035	0.6755	1.4869	1.1274	0.3550
butenoylglycine	Butenoylglycine	1.5727	1.4062	0.7869	1	1.0465	0.5904	0.5323	1.3124	0.7645	0.8998	1.1233
butyrate (4:0)	Butyric acid	1	1.2055	0.9449	0.8509	0.8669	0.8229	3.4851	1.0248	1.5729	1.1252	0.8257
butyrylglycine	N-Butyrylglycine	1.4244	1.1637	0.4749	1.2475	1	0.4083	0.1615	1.3866	0.5689	1.0247	0.9690
caprate (10:0)	Capric acid	1.0807	1	0.9494	0.9754	0.8259	1.0291	1.1206	0.7860	1.0173	1.3394	0.6036
caproate (6:0)	Caproic acid	1.0498	2.0663	1	0.9654	0.8222	1.0223	0.8996	0.9608	1.0402	1.5799	0.8232
caprylate (8:0)	Caprylic acid	1.0326	1.5734	0.9880	1	0.9916	1.0816	1.1312	0.9195	0.9650	1.2137	0.7077
catechol sulfate	Catechol sulfate	0.7494	1.0292	0.9807	0.6497	2.3757	0.9185	0.7020	1.5579	1	2.0875	2.2445
C-glycosyltryptophan	C-Glycosyltryptophan	0.7982	1.1649	1.0340	0.8440	1.1582	1.4069	0.6623	0.7094	1	0.8132	1.0419
chenodeoxycholate	Chenodeoxycholic acid	0.6837	0.9452	0.6264	1.4374	0.6033	1.7548	10.5050	0.3764	1.6536	1.4227	1
cholate	Cholic acid	2.3988	0.1061	0.6854	1	1.0694	0.6041	17.8445	1.0094	0.4267	0.4651	1.4388
cinnamoylglycine	Cinnamoylglycine	0.6819	0.7722	0.9169	1	1.2625	1.7115	0.5166	1.2264	0.5911	1.0448	1.4057
cis-4-decenoate (10:1n6)*	4Z-Decenoic acid	1.6859	1	1.3929	0.5388	0.7841	0.5467	2.9771	0.6574	1.9306	1.5139	0.6426
citrate	Citric acid	0.9612	0.7904	0.8390	1.2160	0.8764	1.6634	0.8618	1.0257	1.0111	1.3323	1
corticosterone	Corticosterone	2.2953	0.8762	0.2597	3.2214	1.7097	0.3818	1	0.3650	1.0987	0.6271	1.2537
deoxycholate	Deoxycholic acid	1.0855	0.3874	0.7293	0.6397	1.0765	1.4227	14.3933	0.6495	1.0248	1	0.4955
dihomo-linoleate (20:2n6)	11Z,14Z-Eicosadienoic acid	1.1353	0.7920	1	1.0682	0.9047	1.1885	0.7571	0.5827	1.2525	1.3116	0.5280
dihomo-linolenate (20:3n3 or n6)	Dihomo-gamma-linolenic acid	1.3193	0.9491	0.9868	1.0195	1	1.1668	0.6531	0.6849	1.3669	1.4300	0.6781
docosadienoate (22:2n6)	13Z,16Z-Docosadienoic acid	1.1880	1	1.2363	1.2402	0.7737	1.0751	0.9018	0.4325	0.6845	1.5814	0.7881
docosadioate (C22-DC)	Docosanedioic acid	1.5868	1.4311	1.0272	1.0219	0.7940	0.5592	1.1056	0.6174	1	0.9502	0.9285
docosahexaenoate (DHA; 22:6n3)	DHA	1.5390	1.2571	1	0.9978	1.1024	0.8202	0.8389	0.7047	1.3766	1.4002	0.7032
docosapentaenoate (n3 DPA; 22:5n3)	DPA	1.3921	1.1259	1.0027	0.9012	1	0.9640	0.5290	0.6649	1.3427	1.4634	0.8000
docosapentaenoate (n6 DPA; 22:5n6)	Docosapentaenoic acid (22n-6)	1.1795	1.0785	1	1.1494	0.9391	0.9140	0.9132	0.5700	1.1955	1.2909	0.4967
docosatrienoate (22:3n3)	13,16,19-Docosatrienoic acid	0.8734	0.8275	1.5272	1.1338	1.0311	1.3426	0.7031	0.5203	0.8119	1.1109	1
docosatrienoate (22:3n6)*	10Z,13Z,16Z-Docosatrienoic acid	1.3170	0.5771	0.5748	2.3511	1	1.7326	0.3451	0.5360	1.4593	1.6017	0.2235
dodecadienoate (12:2)*	Dodecadienoic acid	1.3071	1	1.1796	0.5679	0.8005	0.5185	1.6803	0.5403	1.4972	1.1724	0.3908
dodecanedioate (C12-DC)	Dodecanedioic acid	1.0473	1.2941	1	0.9037	0.5248	0.7492	2.5356	0.7177	1.0327	1.0364	0.6943
eicosanedioate (C20-DC)	Eicosanedioic acid	1.4540	1.4359	1.1556	1	0.9178	0.5191	1.2947	0.5534	0.7874	0.8275	1.0006
eicosapentaenoate (EPA; 20:5n3)	EPA	1.3550	1	0.9248	0.8661	1.0188	1.0930	0.5188	0.7747	1.5343	1.5455	0.7602
eicosenedioate (C20:1-DC)*		1.5428	0.9074	1.2045	0.6583	1.3736	0.5914	12.5867	1.5515	1	0.9798	0.8904
eicosenoate (20:1)	cis-Gondoic acid	1.1162	0.7911	0.8923	1.1834	0.9857	1.2466	1	0.5461	1.2062	1.7001	0.5769
equol sulfate		1.0693	0.8098	1.0651	1.1070	1	1.1479	0.9162	0.8436	0.2486	0.5400	1.1507
erucate (22:1n9)	cis-Erucic acid	1.0040	0.7605	1.1560	1.4954	1	1.4682	0.7063	0.5771	0.9203	0.8833	1.0072
ethyl glucuronide	Ethyl glucuronide	0.9955	1.1609	0.9324	1.0716	1.6321	2.5440	0.7546	1	0.4676	1.3156	0.8716
flavin adenine dinucleotide (FAD)	FAD	0.9941	1.0623	0.9888	1.0311	0.8781	1.1344	1.2616	0.7856	0.9077	1	1.2929
glycerol	Glycerol	1.0196	0.8231	1.0176	0.9260	0.8893	1.2591	1.6700	1	1.1954	0.8068	0.8914
glycine conjugate of C10H14O2 (1)*		1.3649	1.3582	0.8909	0.8567	1.0825	0.5385	0.2840	1	0.7328	1.1371	1.2971
glycine conjugate of C6H10O2 (2)*		1	1.0945	0.9654	0.9886	1.3511	1.2764	0.3093	1.1297	0.7473	0.9540	1.3910
glycine conjugate of C6H10O2 (3)*		1.2711	1.0930	1.0001	1	0.8063	1.5309	0.8509	0.8212	0.7908	1.1779	0.5926
guaiacol sulfate	Guaiacol sulfate	1.1252	1.2982	1.3838	0.5908	0.6634	1	0.5908	0.5908	0.5908	0.5908	0.7231
guanosine	Guanosine	0.6934	1.0948	0.9639	1.0361	0.7630	1.1865	0.4879	1.0423	0.4879	1.3116	0.5286
heneicosapentaenoate (21:5n3)	6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid	1.1098	1.0616	0.8877	0.9384	0.7842	1.1427	0.6216	0.6216	1.3987	1.9967	0.7304
heptanoate (7:0)	Heptylic acid	1.0416	1.4477	1.6180	1	0.9032	1.0652	0.9556	0.7829	0.7789	1.2218	0.8258
heptanoyl glycine	N-Heptanoylglycine	1.5260	1.7337	0.6094	1.0783	1.4510	0.2505	0.2865	1.0934	0.5017	0.6022	1
hexadecadienoate (16:2n6)	7Z,10Z-Hexadecadienoic acid	1.2743	0.9031	1	0.8004	0.8015	1.0016	2.1189	0.5657	1.5054	1.4813	0.6624
hexadecanedioate (C16-DC)	Hexadecanedioic acid	1.6199	1.3000	1	0.9243	1.1153	0.5891	3.1167	0.6783	1.0169	0.9243	0.9543
hexadecatrienoate (16:3n3)	7,10,13-Hexadecatrienoic acid	1.3923	0.8734	1.2799	0.8760	0.8542	1	1.9043	0.6930	1.5885	1.3490	0.7990
hexadecenedioate (C16:1-DC)*		1.5382	1.2580	1.0961	0.6278	1	0.3739	4.2610	0.7549	1.1943	0.9201	0.4355
hexanoylglycine	Hexanoylglycine	1.2966	1.2066	0.6154	1.1951	1	0.5003	0.2469	1.3610	0.5480	1.0932	0.8119
hippurate	Hippuric acid	0.7189	0.7091	1	0.9085	1.1161	2.1576	0.4631	1.2590	0.8808	1.0358	1.7779
histidine	Histidine	1.1413	1	0.9329	0.8841	1.0900	1.5269	1.6013	0.8787	0.9080	0.9989	1.3688
homovanillate sulfate	Homovanillic acid	1.2489	1.4075	1.0307	0.3056	1.4619	0.9693	0.3056	1.3301	0.7856	0.4462	0.7200
hypoxanthine	Hypoxanthine	0.8980	1.1020	0.7279	1.1358	1.1886	2.0880	0.2464	1.2252	0.7897	0.7497	0.2464
indole-3-carboxylate	Indole-3-carboxylic acid	1	1.2405	1.1117	0.9264	1.0197	1.1538	1.6796	0.7807	0.6363	0.8766	0.9056
indoleacetylglycine	N-Indoleacetylglycine	1.0421	0.6959	0.7703	1.2986	1.3282	1.5478	0.3920	1.0758	0.7174	1	0.7989
indoleacrylate	Indoleacrylic acid	1.3677	0.9418	1.2084	1	1.0664	1.1358	2.0312	0.4430	0.8596	0.3844	0.5981
indoxyl glucuronide	Inodxyl glucuronide	1.5091	0.6196	0.7012	1.1756	0.9594	1.6635	4.0721	0.4344	1	0.4344	0.4344
inosine	Inosine	1	1.2673	0.7644	1.2041	1.1485	0.9571	0.0340	1.1619	0.5774	1.0880	0.3973
isocaproate (i6:0)	Isocaproic acid	0.8819	0.8819	0.8819	0.8819	0.8819	0.8819	1.7985	1	0.8819	0.8819	0.8819
isocaproylglycine	Isocaproylglycine	1.8274	1.6328	0.7855	1	1.3531	0.4801	0.2125	1.7006	0.6655	0.9480	1.5814
isoleucylglycine	Ile-Gly	1.7557	2.2543	0.5595	1.2696	0.9759	0.4225	0.4225	1.7801	0.4225	1	0.6504
isovalerate (i5:0)	Isovaleric acid	0.9724	1.0679	0.6922	1.3367	0.8381	1	2.3682	0.8668	1.0239	0.8370	1.5207
isovalerylglycine	Isovalerylglycine	1.3089	1.0607	0.7769	1.2791	0.8308	1	0.1553	1.1936	0.7211	0.7070	1.1649
kynurenate	Kynurenic acid	1.1570	0.8897	0.8450	0.9806	1.0127	1.0527	0.8325	1.6585	0.7954	1	1.9410
laurate (12:0)	Lauric acid	1.0950	1.0044	1	0.7508	0.7463	0.8988	1.6169	0.5935	1.1298	1.4368	0.5076
linoleate (18:2n6)	Linoleic acid	1.3048	0.9073	1	0.9265	0.8287	1.1814	1.4533	0.6768	1.5018	1.5247	0.7461
linolenate [alpha or gamma; (18:3n3 or 6)]	Octadecatrienoic acid	1.2313	0.9109	1.0195	0.7285	0.7623	1	1.8739	0.5933	1.5927	1.4651	0.6596
linoleoyl ethanolamide	Linoleoyl-EA	1.3688	1.2966	1.1532	0.8952	0.9457	0.7441	1.7998	0.7565	1	1.6571	0.5903
margarate (17:0)	Margaric acid	1.0659	0.8915	0.9070	1.0294	0.8388	1.2311	1	0.7763	1.2632	1.5403	0.7292
mead acid (20:3n9)	ETrE(5Z,8Z,11Z)	1.3245	0.7217	0.7313	1.5886	1	1.3751	0.6078	0.6364	1.3487	1.5425	0.3966
methyl glucopyranoside (alpha + beta)	Methyl glucose	1.3603	0.9719	1	1.5147	1.6521	0.6549	0.6543	1.0407	0.4499	0.6588	1.0632
myristate (14:0)	Myristic acid	1.1903	1	1.0756	0.6786	0.7620	0.9645	1.9867	0.6148	1.3434	1.6291	0.4469
myristoleate (14:1n5)	Myristoleic acid	1.1725	1.0322	1	0.6837	0.7958	0.7411	1.5615	0.6235	1.2397	1.4438	0.3328
N-(2-furoyl)glycine	2-Furoylglycine	1.0723	0.9277	1.8987	0.8110	0.8110	2.6191	0.8110	0.8487	0.8110	0.8110	0.8110
N2_N6-diacetyllysine	N,N'-Diacetyl-lysine	1.4073	1.3152	0.9878	1	1.1894	0.9320	0.9744	1.1835	0.8859	0.8604	1.1753
N6-carbamoylthreonyladenosine	N6-Carbamoyl-L-threonyladenosine	1.0636	1.2493	1.0744	1	1.1529	1.1787	0.8787	0.7049	0.8307	0.8225	0.7958
N6-succinyladenosine	Succinyladenosine	0.6965	0.6533	0.6400	1	1.0487	1.4355	0.5124	1.5768	1.2302	0.6984	1.0948
N-acetyl-2-aminooctanoate*	N-Acetyl-2-aminooctanoic acid	1.4613	1.4624	1.0605	1.0795	1.5353	0.9140	0.5932	1	0.6668	0.8429	0.9601
N-acetyl-beta-alanine	N-Acetyl-beta-alanine	0.9995	1.1498	1	0.8358	1.0229	1.1276	1.1254	0.9927	0.9166	1.1155	0.9953
N-acetylcitrulline	N-Acetylcitrulline	1.0433	0.5208	0.6935	0.6374	0.9113	1	1.2485	1.4352	1.2674	0.5938	1.1701
N-acetylisoleucine	N-Acetylisoleucine	1.1681	0.8946	0.8021	1.1292	0.8181	1.0274	1	1.2638	0.9960	0.7180	1.4652
N-acetylleucine	N-Acetylleucine	1.2048	1	0.8699	0.9690	0.8522	0.8185	1.3380	1.2811	1.0736	0.5763	1.8376
N-acetylmethionine	N-Acetylmethionine	1	0.9660	1.0432	0.8907	0.8970	1.0189	0.8392	1.3344	1.1600	0.9721	1.3693
N-acetylphenylalanine	N-Acetylphenylalanine	1.2688	1	0.8302	0.8470	0.8618	0.7007	1.9720	1.1612	1.3697	0.7884	1.0048
N-acetylpyrraline	Dehydroepiandrosterone	0.5961	2.4918	0.5403	0.5403	0.5403	1.2081	0.7035	1.5525	0.7919	0.5403	2.7635
N-acetyltaurine	N-Acetyltaurine	1	1.0020	0.6893	1.3027	1.0692	1.2872	0.6992	1.1900	0.7296	0.8985	0.9543
N-acetylthreonine	N-Acetylthreonine	1.0732	1.1634	1.1102	1	0.9457	1.0857	0.7679	0.9976	0.7255	0.9505	1.2473
N-acetyltryptophan	N-Acetyl-tryptophan	1.3485	0.9449	0.8663	1	0.9896	0.7287	2.3229	1.2903	1.2150	0.7585	1.2788
N-acetyltyrosine	N-Acetyltyrosine	0.6387	0.6488	0.5594	0.4955	0.6596	1	3.1611	1.0240	1.0800	1.0625	1.1482
N-acetylvaline	N-Acetylvaline	1.1113	1	0.6746	1.0994	0.9058	0.9672	1.0210	1.0897	0.8040	0.7393	1.4105
N-delta-acetylornithine	N(5)-Acetyl-ornithine	0.7665	0.7672	0.7999	1.2810	0.7475	1.4616	0.9032	1.1338	1	1.3746	1.4347
N-formylmethionine	N-Formylmethionine	1.1141	1.4769	1.2982	0.9381	0.9353	1.0021	0.4964	0.9402	0.7091	1	1.4452
nisinate (24:6n3)	THA	1	0.8233	1.0091	1.0420	0.8677	1.1103	0.5073	0.4702	1.1704	1.4589	0.6392
N-linoleoyltaurine*	NA-Taurine 18:2(9Z,12Z)	1.0642	1	0.8254	1.0084	0.7066	1.0154	1.5458	0.7900	0.7926	1.0064	0.7629
N-octanoylglycine	Capryloylglycine	1.5329	1.5376	0.8400	1.0918	1	0.1671	0.8718	1.2470	0.6612	1.0368	0.8225
N-oleoyltaurine	NA-Taurine 18:1(9Z)	1.3069	1.1644	0.9575	1	0.9576	1.0291	1.2622	0.8738	0.8991	1.2150	0.7283
nonadecanedioate (C19-DC)		1.1746	1.2772	1	0.9168	1.4635	0.8065	3.4412	0.6955	1.0150	0.7416	0.6050
nonadecanoate (19:0)	Nonadecenoic acid	1.0826	1	1.0105	0.9955	0.7686	1.0423	1.2991	0.6597	0.9316	1.7555	0.6779
N-palmitoylglycine	N-Palmitoyl glycine	1.0402	1.4196	1	0.9342	0.7881	1.3382	1.6198	0.9725	1.3643	0.9293	0.8088
N-palmitoyltaurine	NA-Taurine 16:0	1.2281	1.3887	0.9392	0.9137	1.0038	1.4580	1	0.9560	0.3720	1.0282	0.9457
N-stearoyltaurine	NA-Taurine 18:0	1.2036	1.2053	0.7277	1.0424	0.8733	0.9867	1.2761	1.0223	1	0.9823	0.7414
o-cresol sulfate	o-Cresol sulfate	0.9358	1.0238	0.6125	0.6125	1	0.6125	0.6125	0.6125	0.6125	0.6125	1.4159
octadecadienedioate (C18:2-DC)*	Octadecanedioic acid	1.4534	1	1.0821	0.7246	0.8484	0.7152	6.6248	0.7796	1.1224	1.0377	0.7635
octadecanedioate (C18-DC)	Octadecanedioic acid	1.3889	1.1200	1.3371	1.1548	1	0.8946	2.0331	0.7023	0.9295	0.9146	0.9517
octadecenedioate (C18:1-DC)*		1.5287	1.0844	1.0469	0.8472	1	0.5031	4.0402	0.5933	1.0377	0.8054	0.6093
oleate/vaccenate (18:1)	Oleic acid	1.1022	0.7953	0.8510	1	0.8565	1.3475	1.0014	0.6129	1.4570	1.6222	0.5372
oleoyl ethanolamide	Oleoyl-EA	1.2222	0.9962	1.2437	1.0916	1.0758	1.1562	0.8347	0.9950	0.5726	1	0.8713
O-sulfo-L-tyrosine	Sulfotyrosine	1.0375	0.7997	0.7801	1	1.2783	2.0444	2.7107	0.9808	2.0514	0.8473	0.9222
oxalate (ethanedioate)	Oxalic acid	1.0093	1.1251	0.8936	1.1229	1	1.0670	0.6138	0.8702	0.8888	1.0743	0.9493
palmitate (16:0)	Palmitic acid	1.0891	0.9235	1	0.9738	0.8076	1.1481	1.1480	0.7211	1.3109	1.5698	0.6828
palmitoleate (16:1n7)	Palmitoleic acid	1.0674	1.0225	0.9361	0.7545	0.7283	1	1.3824	0.5613	1.2802	1.8851	0.3945
palmitoyl ethanolamide	Palmitoyl-EA	1.1089	1	1.0954	0.9588	0.8468	1.1272	1.3810	0.8279	0.4930	1.0352	0.8362
p-cresol glucuronide*	P-Cresol glucuronide	1.0845	1	1.3625	1.2360	1.7215	1.5937	0.4571	0.3640	0.0810	0.2631	0.0192
p-cresol sulfate	p-Cresol sulfate	1	1.1276	1.0826	1.2201	1.4692	1.3727	0.5680	0.6343	0.3021	0.6788	0.1501
pelargonate (9:0)	Pelargonic acid	0.8292	1	1.2930	1.9267	0.9005	1.6830	0.8634	1.2671	0.8461	1.2982	0.8781
pentadecanoate (15:0)	Pentadecylic acid	1	0.9875	0.9296	1.2010	0.8853	1.5708	1.0344	0.8590	1.1257	1.6893	0.8324
phenol sulfate	Phenyl hydrogen sulfate	1.3420	0.4491	2.2033	0.3085	0.9112	1.0148	1.7197	0.6369	0.2722	1.8392	1
phenylacetate	Phenyl acetate	1.0385	0.4805	1.0788	0.7951	1.3562	2.3244	4.1927	0.5763	0.6192	0.4805	0.9615
phenylacetyltaurine		1.3076	0.8474	1.0106	1.0397	1.2718	1.4181	0.3193	1	0.6251	0.3808	0.8851
phenylalanylhydroxyproline*		1.6479	1.4584	1.2223	0.4709	1.4139	0.5926	0.7810	1.1544	0.3901	0.4599	1
phenyllactate (PLA)	Phenyllactic acid	1.1742	1.0308	0.7912	1	0.9383	0.9430	1.5267	1.1085	0.8189	0.8914	1.4252
phenylpropionylglycine	Phenylpropionylglycine	1.1536	1.4439	0.8662	1	1.0895	0.6827	0.4223	1.6131	0.4146	0.9301	2.4941
phenylpyruvate	Phenylpyruvic acid	0.9427	0.8561	1.0136	0.9247	1	0.7802	2.2524	1.3843	1.1432	0.9247	1.6230
phosphoenolpyruvate (PEP)	Phosphoenolpyruvic acid	1	0.4383	1.3044	1.4082	1.2227	5.6725	0.7464	0.7430	3.2476	0.6868	0.4773
phosphoethanolamine	Phosphoethanolamine	0.8504	0.8372	0.8584	1.4913	1.0867	4.0998	0.7787	1	1.2448	1.3449	0.7883
p-hydroxybenzaldehyde	4-Hydroxybenzaldehyde	1.3522	0.2912	0.9291	1.3690	0.8517	1.7638	5.3391	0.7539	1.7710	0.9468	1
propionylglycine	Propionylglycine	1.4999	1.3641	0.6027	1.2927	1.2147	0.6176	0.7251	0.8926	0.7751	1	1.6587
pseudouridine	Pseudouridine	1.1056	1.1744	1	0.8636	1.1117	1.1509	0.6870	0.7361	0.8370	1.0212	0.9095
pyridoxate	4-Pyridoxic acid	1.1482	1.7681	0.7204	0.6965	1	0.6314	2.5510	1.4715	0.8986	0.8411	1.1573
riboflavin (Vitamin B2)	Riboflavin	1.0525	0.9723	1.0214	0.9259	0.8583	1.4734	1.1524	0.9255	0.9178	1.1357	1
S-(3-hydroxypropyl)mercapturic acid (HPMA)	N-Acetyl-S-(3-hydroxypropyl)-cysteine	1.0904	1.0405	1.0484	0.7330	1	1.1694	0.3236	0.7679	0.4351	0.5469	1.5003
S-adenosylhomocysteine (SAH)	S-Adenosylhomocysteine	1.2341	1.4099	0.9122	1	0.8655	1.2243	0.1463	1.2634	0.8066	0.5673	2.1382
sebacate (C10-DC)	Sebacic acid	1.3735	1.2715	1.2824	0.9006	1.1538	1	1.6445	0.7261	0.8528	0.7409	0.9542
sedoheptulose-7-phosphate	Sedoheptulose 7-phosphate	0.8133	0.5750	1	1.5602	1.7243	7.2675	1.2043	0.8102	3.4572	0.6602	0.4260
S-methylglutathione	S-Methylglutathione	1.0211	1.2297	0.9376	1	1.2873	0.5054	1.7700	0.9697	1.1854	0.5779	0.8884
stearate (18:0)	Stearic acid	1.0347	0.8233	0.8814	1	0.8419	1.2467	1.0145	0.8002	1.1536	1.4405	0.6979
stearidonate (18:4n3)	Stearidonic acid	1.0219	0.9570	1.1530	0.6921	0.7693	1.0733	0.9694	0.5685	1.5083	1.8693	1
suberate (C8-DC)	Suberic acid	1.3205	1.1076	1	0.9599	1.0704	0.7568	0.5650	1.0396	0.6935	0.7787	1.0697
sulfate*	Sulfate	0.9973	0.9691	1	1.0110	0.8796	1.3253	1.1708	0.9310	0.9574	1.2504	1.1890
tartarate	Tartaric acid	0.8987	0.6876	0.7306	0.9749	0.8115	2.8042	1.6232	1.8709	1.2870	1	2.1362
tartronate (hydroxymalonate)	Hydroxypropanedioic acid	0.9891	1.0996	1	1.0655	1.0090	0.9177	0.4750	1.0587	0.8019	1.0700	0.9289
tauro-beta-muricholate	Tauro-beta-muricholic acid	0.9875	0.4338	32.6708	8.9583	0.8464	0.3631	618.0423	1.0086	1.0926	1	0.7888
taurochenodeoxycholate	Taurochenodeoxycholic acid	0.4537	0.3244	11.3091	3.6247	1	0.5880	201.4055	0.7770	0.7237	1.1892	1.0892
taurocholate	Taurocholic acid	0.5968	0.2629	31.2420	13.2964	0.8940	0.3982	241.8326	0.8208	1.6249	1	1.0319
taurodeoxycholate	Taurodeoxycholic acid	0.6955	0.3207	6.8089	2.9422	0.9547	1	34.7526	0.6942	1.5550	1.3862	0.7313
taurohyodeoxycholic acid	Taurohyodeoxycholic acid	0.4164	0.2100	4.6471	3.1538	0.8192	0.4650	82.9559	1.2379	1.6606	1	0.9211
tauroursodeoxycholate	Tauroursodeoxycholic acid	0.9489	0.5813	16.6286	5.8005	0.9548	0.7229	120.2453	1.1069	1.3736	0.9915	1
tetradecadienedioate (C14:2-DC)*		1.4825	1	0.7494	0.6072	1.5538	0.3826	1.2372	0.7165	0.6900	1.0199	1.1363
tetradecadienoate (14:2)*	Tetradecadienoic acid	1.6344	1.0629	1	0.7610	0.9235	0.4045	1.5873	0.5530	1.2556	1.1303	0.4244
tetradecanedioate (C14-DC)	Tetradecanedioic acid	1.4372	1.1095	1.0114	0.6680	0.7213	0.5853	2.8153	0.6924	1.1315	1	0.7402
thromboxane B2	TXB2	0.9681	0.9364	0.4628	1.0126	1.5498	1	1.8666	1.0100	0.9696	1.1491	0.1120
thymidine	Thymidine	0.9449	0.9546	1.2499	1.0496	1	1.2639	1.6588	0.8491	0.7370	0.9948	1.0010
thymine	Thymine	0.9009	1.3865	0.8244	1.1880	0.9578	0.8330	3.2833	1	1.0108	0.6503	1.0576
thyroxine	Thyroxine	1.5010	1.0153	0.8714	1.0325	0.9183	1.1804	0.9286	0.7746	0.9093	1.1295	1
trans-2-hexenoylglycine		1.2607	1.5343	1.1155	1	0.8505	0.7374	0.8507	1.3812	0.8568	1.2757	0.9390
undecanedioate (C11-DC)	Undecanedioic acid	1.0568	0.8504	1.2376	1.1789	0.9435	0.9943	1.7615	0.9126	0.9671	1.2523	1
undecanoate (11:0)	Undecylic acid	0.9660	0.8989	1.0575	1.3235	0.9597	1.7664	1.1681	0.9109	0.9860	1.5420	1
urate	Uric acid	1.0226	1.2995	0.7667	0.8567	0.9907	0.5260	1.6065	1.3409	0.6552	1	1.1657
uridine	Uridine	1.3143	1.4225	0.8917	1.0862	1.2015	0.7880	0.9747	1.1011	0.8049	0.9859	1
ursodeoxycholate	Ursodeoxycholic acid	2.4623	0.4700	0.7324	0.9188	1.6056	1	8.7421	1.3216	1.7985	0.5372	0.9414
valerate (5:0)	Valeric acid	0.9371	1.6880	0.5549	4.4439	0.6845	0.5549	1.7815	1.0629	0.5549	0.5549	0.8644
valerylglycine	Valerylglycine	1.4657	1.6184	0.6217	1	1.2478	0.4314	0.2192	1.0914	0.5171	0.5744	1.0931
xanthine	Xanthine	0.9173	0.9860	0.8940	1.2269	1.0094	1.9910	0.5072	0.9906	1.0402	1.2476	0.5072
xanthosine	Xanthosine	1.3143	2.9411	0.6807	1.0368	1.5296	0.6495	0.7708	2.4990	0.8689	0.8709	1