Data for (Study ST002090)

(Analysis AN003414)

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

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Metabolite	F1	F2	F3	F4
10-heptadecenoate (17:1n7)	0.7225	1.3024	1.3308	0.6442
10-hydroxystearate	1.9695	0.9667	NA	0.0638
10-nonadecenoate (19:1n9)	0.7311	1.3585	1.1589	0.7515
1-(1-enyl-oleoyl)-GPE (P-18:1)*	0.1731	1.0650	1.5638	1.1981
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	0.6009	1.2304	1.5164	0.6524
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	1.0752	1.5414	0.8428	0.5406
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	0.8434	1.1299	1.3384	0.6883
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	0.6097	1.1505	1.2399	NA
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	0.9542	1.8080	0.7441	0.4936
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	NA	0.4394	1.5001	1.0605
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	0.6519	1.5293	1.1181	0.7006
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	1.1941	1.9009	0.6363	0.2688
1-(1-enyl-stearoyl)-GPE (P-18:0)*	0.3351	1.2905	1.3876	0.9868
1,1-kestotetraose	0.0186	NA	1.5673	1.4141
12,13-DiHOME	1.3237	1.0758	0.6400	0.9605
1,2,3-benzenetriol sulfate (2)	1.8271	1.3722	0.3760	0.4247
12-dehydrocholate	1.2259	0.7741	NA	NA
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3)	0.7009	0.6683	1.4198	1.2110
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)*	0.4819	0.6350	1.9394	0.9437
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)*	0.6011	0.5320	1.6019	1.2650
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)*	0.7555	0.9021	1.2217	1.1207
1,2-dilinoleoyl-GPC (18:2/18:2)	1.0415	0.5793	0.8679	1.5114
1,2-dilinoleoyl-GPE (18:2/18:2)*	1.2070	1.3135	0.5458	0.9337
1,2-dipalmitoyl-GPC (16:0/16:0)	0.8288	1.3994	1.1444	0.6274
12-ketolithocholate	0.5290	1.4710	NA	NA
(12 or 13)-methylmyristate (a15:0 or i15:0)	1.0063	2.8859	0.0489	0.0589
13-HODE + 9-HODE	1.3237	1.3184	0.6227	0.7352
1,5-anhydroglucitol (1,5-AG)	1.1248	0.8752	NA	NA
(16 or 17)-methylstearate (a19:0 or i19:0)	0.3394	0.5312	2.1931	0.9362
18-methylnonadecanoate (i20:0)	0.1130	0.5464	2.3684	0.9722
1-arachidonylglycerol (20:4)	0.8468	1.1513	1.4176	0.5843
1-dihomo-linolenylglycerol (20:3)	1.2090	1.3447	0.9332	0.5130
1-docosahexaenoylglycerol (22:6)	0.6519	0.9254	1.5499	0.8729
1-heptadecenoylglycerol (17:1)*	1.3193	0.9459	0.7348	NA
1-kestose	NA	NA	1.0264	0.9736
1-lignoceroyl-GPC (24:0)	0.3201	0.6736	1.6144	1.3919
1-linolenoylglycerol (18:3)	1.9891	0.4429	0.8257	0.7422
1-linolenoyl-GPC (18:3)*	NA	NA	0.7675	1.2325
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)*	0.8817	0.7052	1.3732	1.0399
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)*	0.6984	0.9089	1.1422	1.2504
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	1.1743	0.4262	0.8794	1.5201
1-linoleoyl-digalactosylglycerol (18:2)*	NA	NA	1.1569	0.8431
1-linoleoylglycerol (18:2)	2.0408	0.4340	0.8206	0.7047
1-linoleoyl-GPC (18:2)	0.6953	0.3858	1.1701	1.7488
1-linoleoyl-GPE (18:2)*	0.7881	0.4217	1.2758	1.5144
1-linoleoyl-GPI (18:2)*	1.0000	NA	NA	NA
1-methyl-4-imidazoleacetate	0.9409	1.9621	0.5243	0.5727
1-methyl-5-imidazoleacetate	0.8676	2.7629	0.1718	0.1977
1-methyl-5-imidazolelactate	0.8893	2.9882	0.0636	0.0589
1-methyladenine	NA	NA	1.1155	0.8845
1-methyl-beta-carboline-3-carboxylic acid	1.1112	1.0243	0.9903	0.8741
1-methylguanidine	0.7250	1.2622	0.8185	1.1943
1-methylguanine	0.8143	0.9130	1.1235	1.1492
1-methylhistamine	0.1622	1.8378	NA	NA
1-methylhistidine	0.6477	0.7521	1.6150	0.9852
1-methylhypoxanthine	1.7176	0.7524	0.4621	1.0679
1-methylnicotinamide	0.9335	2.6643	0.2064	0.1959
1-methylurate	0.8437	2.2232	0.5855	0.3476
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	0.9922	1.4304	0.8611	0.7163
1-myristoylglycerol (14:0)	0.9803	1.0658	1.2806	0.6733
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	1.1245	0.7190	1.0262	1.1303
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	1.2640	1.4411	0.6896	0.6054
1-oleoylglycerol (18:1)	2.1003	0.4870	0.7005	0.7122
1-oleoyl-GPC (18:1)	0.6330	0.4410	1.3188	1.6071
1-oleoyl-GPE (18:1)	0.6258	0.5389	1.6688	1.1666
1-oleoyl-GPI (18:1)	1.5106	0.5135	0.8727	1.1032
1-palmitoleoylglycerol (16:1)*	2.2019	0.6887	0.5433	0.5662
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	1.3112	1.1424	1.0776	0.4688
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	1.1695	1.6552	0.1753	NA
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	1.0694	0.7210	1.3039	0.9057
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	1.7527	1.4316	0.4679	0.3478
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3)	0.6065	NA	1.2494	1.1441
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)*	0.5933	0.6639	1.4546	1.2882
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)*	1.1840	2.1991	0.3231	0.2938
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	1.0671	0.8460	1.2506	0.8363
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	1.3589	1.8535	0.4476	0.3400
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	1.3224	0.7482	0.7668	1.1625
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	0.9916	1.3780	0.8945	0.7359
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	0.7589	1.1456	1.4674	0.6281
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	1.1883	0.8165	0.8310	1.1642
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	0.9593	1.3669	0.9061	0.7678
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	0.7597	1.1178	1.1225	NA
1-palmitoyl-digalactosylglycerol (16:0)*	NA	NA	1.0000	NA
1-palmitoyl-GPA (16:0)	0.6767	2.7221	0.3419	0.2593
1-palmitoyl-GPC (16:0)	0.4185	0.3895	1.7892	1.4029
1-palmitoyl-GPE (16:0)	0.7140	1.0918	1.1579	1.0364
1-palmitoyl-GPG (16:0)*	1.4811	0.8745	1.0951	0.5493
1-palmitoyl-GPI (16:0)	1.0747	0.4394	1.2621	1.2238
1-pentadecanoylglycerol (15:0)	1.4484	1.9751	0.2587	0.3177
1-ribosyl-imidazoleacetate*	NA	0.0608	1.1305	1.8087
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	1.3925	1.1568	1.0684	0.3823
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	1.5116	0.8441	1.1693	0.4750
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	1.3333	0.7573	1.3120	0.5974
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	1.1016	0.7493	1.2794	0.8697
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	1.1129	0.8964	1.1064	0.8843
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	0.8854	1.5849	0.8647	0.6651
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	1.3740	1.3752	0.7130	0.5377
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	0.6610	2.3405	0.6789	0.3197
1-stearoyl-GPC (18:0)	0.4309	0.5420	1.9091	1.1181
1-stearoyl-GPE (18:0)	0.3940	0.4028	1.7719	1.4313
1-stearoyl-GPI (18:0)	0.3404	0.2920	2.1099	1.2576
1-stearoyl-GPS (18:0)*	0.2474	0.9574	1.6228	1.1724
2,3-dihydroxy-3-methylvalerate	1.7377	0.4244	0.7100	1.1279
2,3-dihydroxyisovalerate	2.7878	1.1001	0.0351	0.0769
2,4,6-trihydroxybenzoate	2.2382	1.3023	0.2438	0.2158
2,4-dihydroxybutyrate	1.3251	1.0584	0.7532	0.8633
2-(4-hydroxyphenyl)propionate	1.0000	NA	NA	NA
25-hydroxycholesterol sulfate	0.7025	1.2975	NA	NA
2,6-dihydroxybenzoic acid	2.4071	1.5642	0.0106	0.0181
2,8-quinolinediol sulfate	0.7817	NA	0.2116	2.0066
2-acetamidophenol sulfate	0.4355	NA	1.3821	1.1824
2-aminophenol	2.1373	1.5111	0.1670	0.1846
2^-deoxyadenosine	0.4999	2.0265	0.9338	0.5398
2^-deoxycytidine	1.4513	1.8866	0.2490	0.4131
2^-deoxycytidine 5^-monophosphate	0.3872	1.6128	NA	NA
2^-deoxyguanosine	0.3296	1.7925	1.1903	0.6876
2^-deoxyinosine	1.0557	1.9957	0.4704	0.4782
2^-deoxyuridine	1.0114	2.1371	0.5281	0.3235
2-hydroxy-3-methylvalerate	1.7803	1.6871	0.3711	0.1616
2-hydroxy-4-(methylthio)butanoic acid	1.9052	1.6967	0.3092	0.0888
2-hydroxyadipate	1.5173	1.2580	NA	0.2247
2-hydroxyarachidate*	0.3992	0.8961	1.8755	0.8291
2-hydroxybehenate	0.4187	1.3149	1.6481	0.6183
2-hydroxybutyrate/2-hydroxyisobutyrate	1.5304	1.2628	0.7551	0.4516
2-hydroxydecanoate	0.9434	1.1325	1.0088	0.9153
2-hydroxyglutarate	1.9162	1.7476	0.1481	0.1881
2-hydroxyhippurate (salicylurate)	0.9428	1.0572	NA	NA
2-hydroxylignocerate*	NA	0.9771	1.0229	NA
2-hydroxynervonate*	0.5169	1.3909	1.5016	0.5906
2-hydroxyoctanoate	1.0000	NA	NA	NA
2-hydroxypalmitate	0.6596	0.8438	1.5583	0.9384
2-hydroxyphenylacetate	1.1688	NA	0.9051	0.9261
2-hydroxysebacate	1.1812	1.8096	0.5302	0.4790
2-isopropylmalate	0.8830	1.1170	NA	NA
2-keto-3-deoxy-gluconate	1.4650	1.3315	0.7135	0.4900
2-linoleoylglycerol (18:2)	1.9420	0.7294	0.7586	0.5700
2-methylbutyrylcarnitine (C5)	NA	0.1978	1.6277	1.1745
2-methylcitrate/homocitrate	0.9493	1.4851	0.7901	0.7756
2-oleoylglycerol (18:1)	1.8467	0.8399	0.6774	0.6360
2-O-methylascorbic acid	0.1126	NA	1.6780	1.2094
2^-O-methylcytidine	0.9402	1.0457	1.3970	0.6172
2^-O-methyluridine	NA	0.5794	1.8384	0.5823
2-oxindole-3-acetate	1.8601	1.6999	0.2484	0.1915
2-oxoadipate	0.3133	0.8859	1.8048	0.9959
2-oxoarginine*	0.1468	0.1222	1.8278	1.9032
2-palmitoyl-GPC (16:0)*	NA	NA	1.4299	0.5701
2-piperidinone	0.8827	1.2058	0.8720	1.0394
2-pyrrolidineacetic acid	NA	1.5929	0.7386	0.6685
2R,3R-dihydroxybutyrate	1.6272	0.9325	0.6175	0.8227
2-stearoyl-GPE (18:0)*	0.3006	0.4165	2.2371	1.0458
3-(3-amino-3-carboxypropyl)uridine*	NA	NA	0.9706	1.0294
3-(3-hydroxyphenyl)propionate	0.9207	1.0793	NA	NA
3-(3-hydroxyphenyl)propionate sulfate	0.9745	1.0645	NA	0.9610
3,4-dihydroxybutyrate	1.8434	1.1213	0.5952	0.4401
3-(4-hydroxyphenyl)lactate	1.0091	0.8957	1.4274	0.6678
3-(4-hydroxyphenyl)propionate	1.5615	2.4342	0.0026	0.0017
3,5-dihydroxyphenylpropionate	2.0719	1.8931	0.0175	0.0175
3-amino-2-piperidone	0.9164	0.8057	1.0933	1.1847
3-dehydrocholate	1.2821	0.7179	NA	NA
3-dehydrodeoxycholate	0.2483	1.7517	NA	NA
3-dehydroshikimate	1.9246	1.2467	0.4143	0.4144
3-deoxyoctulosonate	0.8661	0.6623	1.7436	0.7280
3-formylindole	1.4085	1.6614	0.5492	0.3809
3-hydroxy-2-methylpyridine sulfate	NA	NA	0.7038	1.2962
3-hydroxy-3-methylglutarate	2.0654	1.6217	0.1616	0.1513
3-hydroxyadipate	1.6014	NA	NA	0.3986
3-hydroxybutyrate (BHBA)	1.7311	0.7210	1.1401	0.4078
3-hydroxydecanoate	1.0908	1.6725	0.7320	0.5047
3-hydroxydodecanedioate*	0.9603	1.7413	0.6673	0.6312
3-hydroxyhexanoate	1.8296	0.9448	0.2256	NA
3-hydroxyisobutyrate	NA	0.7567	1.5351	0.7082
3-hydroxyoctanoate	1.2004	0.7996	NA	NA
3-hydroxypalmitate	1.1945	2.0510	0.2813	0.4732
3-hydroxypyridine sulfate	NA	NA	0.7031	1.2969
3-hydroxysebacate	0.6910	1.1632	1.0915	1.0542
3-hydroxysuberate	1.0646	1.8770	0.5926	0.4658
3-indoleglyoxylic acid	1.2807	1.8971	0.4380	0.3842
3-indoxyl sulfate	0.2231	1.7020	0.9614	1.1135
3-ketosphinganine	1.0598	1.8366	0.1036	NA
3-methoxycatechol sulfate (2)	NA	NA	0.9664	1.0336
3-methyl-2-oxobutyrate	1.5402	2.0092	0.2589	0.1917
3-methyl-2-oxovalerate	1.4208	1.8891	0.3162	0.3739
3-methylcrotonylglycine	NA	NA	1.0000	NA
3-methylcytidine	NA	NA	1.0000	NA
3-phenylpropionate (hydrocinnamate)	1.0000	NA	NA	NA
3-sulfo-L-alanine	1.1822	1.0868	0.8455	0.8855
3-ureidopropionate	2.0551	0.7805	NA	0.1644
4-acetylphenol sulfate	NA	NA	0.8185	1.1815
4-cholesten-3-one	1.1220	1.7303	0.6964	0.4513
4-guanidinobutanoate	0.4357	0.2039	1.7706	1.5899
4-hydroxybenzoate	2.4754	1.3422	0.1008	0.0815
4-hydroxycinnamate	0.4406	3.2204	0.1703	0.1687
4-hydroxycinnamate sulfate	NA	NA	1.0711	0.9289
4-hydroxyhippurate	NA	0.1660	1.3874	1.4466
4-hydroxyphenylacetate	1.2785	0.7215	NA	NA
4-hydroxyphenylpyruvate	0.9836	2.1124	0.4369	0.4671
4-imidazoleacetate	1.5875	1.9772	0.2789	0.1563
4-methyl-2-oxopentanoate	1.3506	1.8638	0.3346	0.4511
4-methylcatechol sulfate	1.0000	NA	NA	NA
4-methylthio-2-oxobutanoate	0.9580	1.0420	NA	NA
4-vinylguaiacol glucuronide	NA	NA	NA	1.0000
4-vinylguaiacol sulfate	NA	NA	NA	1.0000
5-(2-Hydroxyethyl)-4-methylthiazole	NA	NA	1.2434	0.7566
5,6-dihydrothymine	1.3392	NA	1.0338	0.6270
5,6-dihydrouridine	0.4687	2.4958	0.0355	NA
5alpha-pregnan-3beta,20alpha-diol disulfate	0.4430	1.5570	NA	NA
5-aminovalerate	1.6206	2.2732	0.0567	0.0495
5-dodecenoylcarnitine (C12:1)	0.4704	NA	1.5314	0.9983
5-(galactosylhydroxy)-L-lysine	0.6971	1.0063	0.9017	1.3949
5-hydroxyindoleacetate	0.7347	1.7195	NA	0.5459
5-hydroxylysine	1.5444	0.2312	0.7989	1.4255
5-hydroxypicolinic acid	0.7980	0.8314	1.1360	1.2345
5-methyl-2^-deoxycytidine	0.7674	1.0691	1.4025	0.7610
5-methylcytidine	NA	NA	1.5104	0.4896
5-methylcytosine	0.9958	1.1157	1.0486	0.8399
5-methylthioadenosine (MTA)	NA	NA	1.0971	0.9029
5-methyluridine (ribothymidine)	0.9583	1.8847	0.1570	NA
5-oxoproline	0.9314	1.5420	0.6225	0.9042
6-hydroxydaidzein	1.0743	2.6203	0.1534	0.1520
6-oxopiperidine-2-carboxylate	0.8459	2.8944	0.1368	0.1230
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	1.6811	1.1094	0.6711	0.5384
7-ketodeoxycholate	0.8869	1.1131	NA	NA
7-ketolithocholate	NA	1.0000	NA	NA
7-methylguanine	1.3337	1.6938	0.5047	0.4678
8-hydroxyoctanoate	0.9034	1.0966	NA	NA
9,10-DiHOME	1.5192	1.2464	0.6631	0.5713
acetylagmatine	0.9659	0.4155	1.0207	1.5979
acetylcarnitine (C2)	1.0390	1.8130	0.3081	0.8399
aconitate [cis or trans]	0.6357	1.4903	0.9753	0.8987
adenine	1.8382	1.3819	0.4299	0.3500
adenosine	1.0680	1.7623	0.7088	0.4609
adenosine 5^-monophosphate (AMP)	0.4996	1.5004	NA	NA
adipate (C6-DC)	1.2653	0.8698	NA	0.8649
adipoylcarnitine (C6-DC)	1.1047	1.9080	0.4960	0.4913
afromosin	1.3249	0.2742	1.2958	1.1051
agmatine	0.3517	0.4891	2.2479	0.9112
alanine	1.5697	1.4012	0.4669	0.5622
alanylleucine	2.4237	0.9432	0.3136	0.3195
allantoic acid	NA	NA	0.9824	1.0176
allantoin	1.1344	0.4780	1.0375	1.3501
alpha-CEHC glucuronide*	NA	NA	1.1248	0.8752
alpha-CEHC sulfate	1.4062	1.0254	0.5684	NA
alpha-CMBHC glucuronide	NA	NA	1.1878	0.8122
alpha-hydroxyisocaproate	2.1894	1.3567	0.3068	0.1471
alpha-hydroxyisovalerate	2.4757	1.2503	0.1903	0.0836
alpha-ketoglutarate	1.4637	1.3616	0.6378	0.5369
alpha-tocopherol	1.1535	1.5161	0.7458	0.5846
alpha-tocopherol acetate	1.6422	0.6827	0.9378	0.7373
alpha-tocotrienol	0.6088	0.8231	1.3010	1.2672
anthranilate	0.9579	1.1707	1.0918	0.7796
apigenin	1.7014	1.1282	0.6982	0.4722
apigenin glucuronide (2)	NA	NA	0.7465	1.2535
apigenin sulfate (1)	0.0977	0.0324	2.3430	1.5268
arabinose	2.2027	0.7411	NA	0.0561
arabitol/xylitol	0.1910	0.0566	1.8080	1.9443
arabonate/xylonate	0.4951	0.2291	1.8695	1.4064
arachidate (20:0)	0.2364	0.4702	2.3371	0.9563
arachidonate (20:4n6)	0.5201	1.6807	1.1874	0.6118
arachidonoylcarnitine (C20:4)	NA	NA	1.4306	0.5694
arachidoylcarnitine (C20)*	NA	NA	1.0000	NA
argininate*	0.7163	0.2795	1.4945	1.5097
arginine	1.4391	1.0508	0.5802	0.9300
argininosuccinate	0.7323	1.3517	1.1826	0.7334
ascorbic acid 2-sulfate	NA	NA	1.1511	0.8489
ascorbic acid 3-sulfate*	0.0049	0.0124	2.3974	1.5853
asparagine	2.5098	0.8576	0.2082	0.4243
aspartate	1.1004	1.6765	0.7339	0.4892
azelate (C9-DC)	1.2398	1.8509	0.4450	0.4643
behenoyl sphingomyelin (d18:1/22:0)*	0.2908	0.2088	1.9143	1.5861
benzoate	1.6791	0.9016	0.8011	0.6182
beta-alanine	1.6112	1.7606	0.2455	0.3828
beta-citrylglutamate	0.1048	0.2448	2.2451	1.4054
beta-cryptoxanthin	0.5732	0.5518	1.6890	1.1860
beta-guanidinopropanoate	0.8282	1.1718	NA	NA
beta-hydroxyisovalerate	1.4198	2.0805	0.2052	0.2945
beta-hydroxyisovaleroylcarnitine	1.1411	1.1980	NA	0.6609
betaine	0.9907	0.6735	1.3762	0.9596
beta-muricholate	2.3216	1.6711	0.0032	0.0041
beta-sitosterol	0.9281	0.9815	1.1538	0.9366
bilirubin degradation product, C16H18N2O5 (4)**	1.0854	0.9173	1.1724	0.8249
bilirubin degradation product, C17H18N2O4 (1)**	0.6110	0.1510	2.1220	1.1160
bilirubin degradation product, C17H18N2O4 (2)**	0.5439	0.1382	2.1615	1.1564
bilirubin degradation product, C17H18N2O4 (3)**	0.7325	0.1779	1.9558	1.1338
bilirubin degradation product, C17H20N2O5 (1)**	NA	NA	1.2810	0.7190
bilirubin degradation product, C17H20N2O5 (2)**	0.2518	NA	1.6527	1.0955
bilirubin (E,E)*	1.6464	0.6449	0.9314	0.7772
bilirubin (Z,Z)	1.7952	0.7088	0.9456	0.5504
biliverdin	1.4693	0.6529	1.3378	0.5400
biochanin A	1.1392	0.6570	1.2385	0.9653
biopterin	NA	NA	1.0634	0.9366
branched chain 14:0 dicarboxylic acid**	0.9711	1.0289	NA	NA
butyrate/isobutyrate (4:0)	2.2486	1.7435	0.0041	0.0038
butyrylcarnitine (C4)	0.6590	1.3410	NA	NA
butyrylglycine	NA	NA	0.9719	1.0281
butyrylputrescine/isobutyrylputrescine	0.1746	1.8254	NA	NA
cadaverine	0.0561	NA	2.1381	0.8058
caffeic acid sulfate	NA	NA	1.1664	0.8336
campesterol	0.7745	1.0015	1.1756	1.0484
caprate (10:0)	0.7670	0.6763	1.0051	1.5517
caproate (6:0)	1.6243	1.3260	0.5704	0.4792
caprylate (8:0)	0.7416	0.9581	1.6747	0.6257
carboxyethyl-GABA	1.0984	1.3818	0.8205	0.6993
carboxymethylproline	1.3058	1.5312	0.5366	0.6264
carnitine	1.1209	1.6920	0.7244	0.4627
carotene diol (1)	0.7051	0.6967	1.3627	1.2355
carotene diol (2)	0.7957	0.7964	1.4433	0.9646
carotene diol (3)	0.7100	0.7070	1.5804	1.0026
catechol sulfate	1.2145	1.6003	NA	0.1852
ceramide (d18:1/14:0, d16:1/16:0)*	0.4726	0.6011	1.5483	1.3779
ceramide (d18:1/17:0, d17:1/18:0)*	NA	0.9234	1.1315	0.9451
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*	0.7930	1.0027	1.4593	0.7451
chenodeoxycholate	3.0735	0.8777	0.0199	0.0289
chenodeoxycholic acid sulfate (1)	1.1766	0.8234	NA	NA
chenodeoxycholic acid sulfate (3)	1.7023	1.6840	0.4067	0.2070
chiro-inositol	2.0828	0.0796	0.3353	1.5023
cholate	2.6931	1.3028	0.0014	0.0028
cholate sulfate	0.3539	1.6461	NA	NA
cholesterol	0.6349	0.7112	1.5984	1.0555
cholesterol sulfate	0.6097	1.0762	1.3437	0.9704
choline	0.2412	0.3417	1.5383	1.8788
choline phosphate	0.9317	3.0594	0.0009	0.0081
chrysoeriol (3^-O-methylluteolin)	2.1625	0.8914	0.5390	0.4071
cinnamoylglycine	NA	NA	NA	1.0000
cis-4-decenoate (10:1n6)*	NA	1.0158	0.7526	1.2316
cis-4-decenoylcarnitine (C10:1)	NA	NA	1.2702	0.7298
cis-urocanate	0.8239	1.7909	0.5508	0.8345
citraconate/glutaconate	1.8790	0.3164	0.8618	0.9428
citrate	0.6424	1.5090	0.8518	0.9969
citrulline	1.2958	2.5742	0.0638	0.0662
coumestrol	2.2463	0.9344	0.4843	0.3350
creatine	0.7191	0.7478	1.4224	1.1108
creatinine	0.3991	0.0242	1.6217	1.9550
cyclo(his-phe)	NA	NA	0.6685	1.3315
cyclo(his-pro)	0.2161	0.2368	1.9464	1.6007
cyclo(his-pro) (D,L)*	0.8199	0.8772	1.1545	1.1484
cyclo(leu-pro)	NA	1.0000	NA	NA
cyclo(pro-hydroxypro)*	0.1244	NA	1.6287	1.2469
cyclo(pro-sulfo-tyr)*	NA	NA	1.0148	0.9852
cystathionine	0.5165	0.6343	1.4315	1.4176
cysteine	0.7096	0.7402	1.3105	1.2398
cysteine s-sulfate	0.5389	0.5034	1.3084	1.6492
cysteine sulfinic acid	1.0025	1.0662	0.8264	1.1049
cysteinylglycine	0.5975	0.6897	1.4396	1.2732
cytidine	1.5821	2.1478	0.1561	0.1141
cytidine 5^-monophosphate (5^-CMP)	0.8803	3.0675	0.0227	0.0294
cytosine	1.3650	1.7906	0.4505	0.3939
daidzein	2.6934	0.5076	0.3546	0.4445
daidzein 7-O-glucuronide	NA	NA	0.5533	1.4467
daidzein sulfate (1)	0.0304	0.0066	2.1219	1.8411
daidzein sulfate (2)	0.0124	0.0021	2.1705	1.8151
daidzin (daidzein 7-O-glucoside)	1.0740	0.5263	0.9474	1.4523
dehydroabietic acid	2.5231	0.8142	0.2414	0.4213
dehydrophytosphingosine*	1.3350	1.2574	0.7125	0.6952
delta-tocopherol	0.9066	1.0462	0.9197	1.1276
deoxycarnitine	1.6825	2.1482	0.0971	0.0723
deoxycholate	0.6395	2.3591	0.0014	NA
deoxycholic acid 3-sulfate	0.2897	1.7103	NA	NA
deoxymugineic acid	0.7552	0.8983	1.4330	0.9135
diacetylspermidine*	1.1274	1.2102	1.1514	0.5109
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*	3.1151	0.1741	0.2781	0.4327
diaminopimelate	1.5748	1.2058	NA	0.2194
diethanolamine	1.6769	1.1128	0.7027	0.5077
digalactosylglycerol*	NA	0.0049	2.1778	0.8174
dihomo-linoleate (20:2n6)	0.6346	1.3597	1.3567	0.6490
dihomo-linolenate (20:3n3 or n6)	0.4228	1.5168	1.4474	0.6131
dihydrobiopterin	NA	NA	1.1738	0.8262
dihydroferulate	1.0228	0.9772	NA	NA
dihydroferulic acid sulfate	0.2337	NA	1.1899	1.5764
dihydrokaempferol	0.4632	NA	2.1605	0.3763
dihydroorotate	1.3965	1.2062	0.6641	0.7331
DIMBOA	0.7902	1.2098	NA	NA
dimethylarginine (SDMA + ADMA)	1.1921	0.6820	1.0698	1.0561
dimethylglycine	1.3543	1.4213	0.6050	0.6195
dimethylguanidino valeric acid (DMGV)*	NA	0.0601	1.6185	1.3214
dimethyl sulfone	NA	NA	1.2402	0.7598
diosmin (diosmetin 7-rutinoside)	NA	NA	0.9462	1.0538
docosadienoate (22:2n6)	0.4284	1.2624	1.5413	0.7679
docosahexaenoate (DHA; 22:6n3)	0.5318	1.2120	1.4001	0.8561
docosapentaenoate (n3 DPA; 22:5n3)	0.5496	2.0081	0.9015	0.5408
docosapentaenoate (n6 DPA; 22:5n6)	0.3744	1.2603	1.6395	0.7258
dodecadienoate (12:2)*	0.7109	1.2172	1.0933	0.9786
dodecanedioate (C12-DC)	1.2237	1.4166	0.5090	0.8508
dodecenedioate (C12:1-DC)*	0.8770	2.2564	0.4030	0.4636
D-urobilin	0.6623	1.3377	NA	NA
ectoine	1.2750	1.6899	0.4924	0.5426
eicosanoylsphingosine (d20:1)*	0.6328	0.4886	1.6259	1.2528
eicosapentaenoate (EPA; 20:5n3)	0.7936	1.2871	0.9997	0.9197
eicosenedioate (C20:1-DC)*	1.1049	1.1167	0.8569	0.9216
eicosenoate (20:1)	0.4360	0.9483	1.9511	0.6646
eicosenoylcarnitine (C20:1)*	0.9828	1.7704	0.8690	0.3778
enterolactone	0.5265	1.4735	NA	NA
equol	0.8890	1.1110	NA	NA
equol sulfate	1.2758	1.9280	0.3136	0.4826
ergothioneine	0.9244	0.6263	1.3505	1.0988
erucate (22:1n9)	0.2637	0.7808	2.1258	0.8297
erythritol	1.1465	2.4539	0.2427	0.1569
erythronate*	1.1355	0.9863	0.9710	0.9071
ferulate	1.7118	1.9339	0.2027	0.1516
ferulic acid 4-sulfate	0.0103	0.0071	2.0609	1.9217
feruloylputrescine	0.1628	1.5941	1.2300	1.0131
feruloylquinate (1)	0.1021	0.0858	1.9586	1.8535
feruloylquinate (2)	0.0791	0.0659	2.0457	1.8094
feruloylquinate (3)	NA	NA	1.0327	0.9673
feruloylquinate (4)	0.0864	NA	1.5206	1.3930
feruloylquinate (5)	0.2963	NA	1.2934	1.4103
ferulylglycine (1)	NA	NA	1.0770	0.9230
ferulylglycine (2)	NA	NA	0.8459	1.1541
Flavone derivative C26H28O14 (1)*	2.0508	0.6929	0.6347	0.6217
Flavone derivative C26H28O14 (2)*	1.9301	0.9955	0.5276	0.5467
Flavone derivative C26H28O14 (4)*	2.2093	0.6422	0.6052	0.5434
Flavone derivative C26H28O14 (5)*	NA	0.5248	1.1685	1.3067
Flavone derivative C26H28O14 (6)*	NA	NA	1.1335	0.8665
Flavone derivative C26H28O14 (7)*	0.7690	NA	1.1572	1.0738
formiminoglutamate	1.5341	2.3829	0.0386	0.0444
formononetin	1.1983	0.4072	1.1339	1.2606
fructose	1.3213	1.1215	NA	0.5572
fructosyllysine	0.9966	1.0047	0.9108	1.0878
fucosterol	0.9304	0.8142	1.3030	0.9523
fumarate	1.0659	2.3145	0.3738	0.2459
galactinol	NA	NA	1.4075	0.5925
galactonate	1.2013	0.3492	1.2551	1.1944
galactosylglycerol	0.5131	0.3650	1.2856	1.8362
gamma-CEHC glucuronide*	NA	NA	1.3030	0.6970
gamma-glutamyl-alpha-lysine	0.3552	0.3259	1.4471	1.8719
gamma-glutamyl-epsilon-lysine	0.1120	0.0656	1.9611	1.8613
gamma-glutamylglutamate	0.2021	0.5609	1.4420	1.7950
gamma-glutamylglutamine	0.1473	0.2996	1.4519	2.1011
gamma-glutamylglycine	0.0705	0.2804	1.9196	1.7295
gamma-glutamylhistidine	0.0993	0.1664	1.7710	1.9633
gamma-glutamylisoleucine*	0.0757	0.1244	1.8216	1.9783
gamma-glutamylleucine	0.1909	0.4639	1.6725	1.6727
gamma-glutamylmethionine	0.1108	0.5594	1.6288	1.7010
gamma-glutamylphenylalanine	0.2579	0.3270	1.5522	1.8629
gamma-glutamylserine	0.9764	1.0926	1.0651	0.8659
gamma-glutamylthreonine	0.1746	0.2095	1.7780	1.8380
gamma-glutamyltryptophan	NA	0.8786	1.1427	0.9787
gamma-glutamyltyrosine	0.2041	0.4845	1.7169	1.5945
gamma-glutamylvaline	NA	NA	0.9307	1.0693
gamma-tocopherol/beta-tocopherol	0.9003	0.9033	1.1021	1.0943
gamma-tocotrienol	0.7630	1.0777	0.8350	1.3243
genistein	1.1120	1.6153	0.5917	0.6810
genistein glucuronide*	0.0035	NA	0.9091	2.0874
genistein sulfate*	0.0270	0.0024	2.2375	1.7331
gentisate	1.5811	1.3879	0.0310	NA
gluconate	1.0180	2.2769	0.3781	0.3269
glucose	2.1027	1.6126	0.0599	0.2248
glucuronate	0.9086	0.4905	1.3020	1.2989
glutamate	1.2813	1.6364	0.4589	0.6234
glutamate, gamma-methyl ester	0.6753	0.8732	1.1299	1.3216
glutamine	1.3924	1.2131	0.5708	0.8236
glutamine_degradant*	0.9287	1.3047	1.2754	0.4912
glutaminylleucine	1.9269	1.3940	0.3134	0.3656
glutarate (C5-DC)	2.1784	1.3126	0.2677	0.2412
glutarylcarnitine (C5-DC)	0.8125	2.1469	0.6920	0.3486
glycerate	1.2794	2.0912	0.3060	0.3234
glycerol	1.3452	1.3476	0.6694	0.6378
glycerol 3-phosphate	0.9065	2.9622	0.0599	0.0714
glycerophosphoethanolamine	1.7212	1.4207	0.4158	0.4423
glycerophosphoglycerol	2.0208	1.4476	0.2347	0.2969
glycerophosphoinositol*	0.8305	1.0515	1.0080	1.1101
glycerophosphorylcholine (GPC)	1.3673	0.7716	0.8851	0.9759
glycerophosphoserine*	1.3568	2.4325	0.0820	0.1287
glycine	1.1235	1.2149	0.7345	0.9271
glycitein	2.7349	0.2806	0.4773	0.5072
glycitein glucuronide (2)*	NA	NA	0.6720	1.3280
glycitein sulfate (1)	NA	NA	1.0635	0.9365
glycitein sulfate (2)	0.0067	0.0009	2.1054	1.8870
glyco-beta-muricholate**	1.2104	1.3360	NA	0.4536
glycolate (hydroxyacetate)	1.9004	1.6034	0.2623	0.2339
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	0.6002	0.9662	1.1217	1.3119
glycylisoleucine	1.8234	1.5595	0.3107	0.3064
glycylleucine	1.8853	1.4512	0.3011	0.3624
glycylvaline	2.0838	1.3073	0.2875	0.3214
guanidinoacetate	0.7081	0.8843	1.0666	1.3411
guanine	0.8690	1.4089	0.9186	0.8035
guanosine	1.3933	1.8962	0.3697	0.3408
gulonate*	0.2325	0.1706	2.0662	1.5307
harmane	0.5834	0.5612	1.6185	1.2369
heme	0.3091	0.8661	2.2758	0.5490
heneicosapentaenoate (21:5n3)	0.9160	1.4274	0.9172	0.7394
heptadecasphingosine (d17:1)	0.4490	0.4849	1.8757	1.1904
heptadecatrienoate (17:3)*	0.9275	1.0884	0.8824	1.1017
heptanoate (7:0)	0.9270	1.0254	0.5188	1.5289
hexadecadienoate (16:2n6)	1.1393	1.0749	0.8415	0.9443
hexadecanedioate (C16-DC)	1.5192	1.2518	0.6732	0.5558
hexadecasphingosine (d16:1)*	NA	0.7737	1.2263	NA
hexadecatrienoate (16:3n3)	1.0563	1.3506	0.7816	0.8115
hexadecenedioate (C16:1-DC)*	1.2696	1.6994	0.5251	0.5059
hexanoylcarnitine (C6)	NA	0.8256	1.6338	0.5406
hexanoylglycine	NA	NA	1.0000	NA
hexanoyltaurine	NA	NA	0.6066	1.3934
hippurate	NA	NA	0.8459	1.1541
histamine	0.4092	0.8355	1.6012	1.1541
histidine	1.1120	1.4186	0.6332	0.8362
histidine betaine (hercynine)*	0.1165	NA	1.4716	1.4119
histidylalanine	2.2936	1.1084	0.1953	0.4027
homocitrulline	0.4493	0.7211	1.2481	1.5814
homocysteine	1.6370	0.9877	NA	0.3752
homoserine	1.3689	1.4318	0.6114	0.5879
homostachydrine*	0.4469	1.2401	0.8519	1.4611
hydantoin-5-propionate	1.0000	NA	NA	NA
hydroxymethylpyrimidine	1.3095	1.5330	0.5266	0.6308
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**	0.4091	0.4663	1.7617	1.3628
hypotaurine	1.5206	1.1750	0.4925	0.8120
hypoxanthine	0.9545	1.5683	0.9524	0.5248
imidazole lactate	0.4228	0.9828	1.7084	0.8860
imidazole propionate	1.6436	2.3150	0.0213	0.0201
indole	NA	NA	1.1078	0.8922
indole-3-carboxylate	1.1181	NA	0.6101	1.2718
indoleacetate	1.8291	1.3000	0.5082	0.3627
indolelactate	2.2209	1.5928	0.1292	0.0571
inosine	1.6525	1.9744	0.2056	0.1674
inositol 1-phosphate (I1P)	1.0000	NA	NA	NA
inositol hexakisphosphate	0.0524	3.0783	0.7050	0.1643
isobutyrylglycine	1.1255	1.1205	0.9942	0.7598
isocitric lactone	0.0689	0.0992	1.7683	2.0636
isoleucine	1.3729	1.2952	0.6144	0.7174
isoleucylglycine	1.9454	1.6935	0.1499	0.2112
isoleucylhydroxyproline*	0.2174	0.1960	1.6444	1.9422
isopimaric acid	2.2285	0.4172	0.1785	1.1758
isovalerate (i5:0)	1.6500	1.2506	0.0994	NA
isovalerylcarnitine (C5)	0.3704	0.3353	1.7366	1.5576
isovalerylglycine	1.1614	1.1921	0.9073	0.7392
I-urobilinogen	0.8413	1.1587	NA	NA
kynurenate	1.7331	1.8536	0.2138	0.1995
kynurenine	1.4148	0.9991	0.7510	0.8351
lactate	2.1192	1.3927	0.1927	0.2954
lactobacillic acid	0.2641	0.5398	2.5336	0.6625
lactobionate	1.4747	2.2060	0.1620	0.1573
lanthionine	NA	NA	0.9244	1.0756
laurylcarnitine (C12)	NA	NA	1.3062	0.6938
leucine	1.4633	1.3158	0.5773	0.6436
leucylalanine	1.9696	1.0017	0.5180	0.5107
leucylglutamine*	2.1657	0.9306	0.3673	0.5364
leucylglycine	2.2003	1.1511	0.3234	0.3251
leucylhydroxyproline*	0.1417	0.2032	1.5046	2.1506
linoleate (18:2n6)	0.9953	1.3524	0.9510	0.7012
linolenate [alpha or gamma; (18:3n3 or 6)]	1.0765	1.2362	0.8640	0.8233
linolenoylcarnitine (C18:3)*	NA	NA	1.3208	0.6792
linolenoyl ethanolamide	0.6909	1.4609	1.2793	0.5689
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]*	1.8832	NA	0.1168	NA
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]*	1.9204	0.3109	0.7522	1.0165
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	1.6065	NA	0.7776	0.6159
linoleoylcarnitine (C18:2)*	0.1903	0.1329	2.3961	1.2806
linoleoylcholine*	2.1144	1.0373	0.3329	0.5154
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]*	1.9287	NA	0.4464	0.6249
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]*	1.5849	0.5281	1.0558	0.8312
linoleoyl ethanolamide	0.5944	0.6233	1.8810	0.9013
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*	3.0276	0.1293	0.2859	0.5572
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	2.4125	0.2630	0.4882	0.8363
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	2.8263	0.1537	0.3241	0.6959
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*	2.2872	0.4035	0.4469	0.8624
lithocholate	0.3919	1.6081	NA	NA
L-urobilin	1.0000	NA	NA	NA
luteolin sulfate	0.2088	0.0498	2.0203	1.7211
lysine	1.3770	1.3115	0.5438	0.7677
lysylleucine	2.2186	1.4898	0.1402	0.1514
lyxonate	0.2540	0.2139	2.2571	1.2750
malate	0.9760	1.0708	0.9866	0.9666
maleate	0.5023	0.3978	1.4160	1.6839
malonate	1.8272	1.4787	0.2793	0.4147
malonylcarnitine	0.6502	1.1494	1.2683	0.9321
malonylgenistin	1.4410	0.3475	1.1889	1.0226
maltol	2.6748	1.2640	0.0284	0.0327
mannitol/sorbitol	2.0487	1.7067	0.1160	0.1285
mannonate*	0.0506	0.0523	2.0826	1.8145
mannose	0.9017	1.0983	NA	NA
margaroylcarnitine (C17)*	0.7663	1.6006	1.2789	0.3542
matairesinol	NA	1.3689	NA	0.6311
methionine	1.5781	1.4327	0.4787	0.5105
methionine sulfone	2.5367	0.8868	0.2032	0.3733
methionine sulfoxide	1.9884	1.0479	0.4111	0.5526
methylmalonate (MMA)	1.5213	2.0550	0.1911	0.2326
methylphosphate	0.6356	1.8351	1.1938	0.3355
methylsuccinate	1.5067	1.6366	0.4698	0.3869
methylthioadenosine sulfoxide	NA	NA	0.5676	1.4324
myo-inositol	0.3480	0.3194	1.2966	2.0361
myristate (14:0)	1.1258	1.3834	0.8092	0.6817
myristoleoylcarnitine (C14:1)*	NA	NA	1.2997	0.7003
myristoylcarnitine (C14)	0.1865	0.1531	2.4263	1.2341
N1-Methyl-2-pyridone-5-carboxamide	0.9470	1.5371	0.7109	0.8050
N1-Methyl-4-pyridone-3-carboxamide	0.6428	1.2741	0.9773	1.1058
N1-methyladenosine	0.2447	0.1820	1.4452	2.1281
N1-methylguanosine	0.2654	0.4526	1.4718	1.8102
N1-methylinosine	1.5912	1.1023	0.3492	0.9573
N1,N10-dicoumaroylspermidine	0.1291	0.0802	1.8738	1.9169
N1,N12-diacetylspermine	1.5224	0.4776	NA	NA
(N(1) + N(8))-acetylspermidine	1.2031	0.2413	1.6745	0.8812
N2-acetyllysine	0.7582	0.9839	1.1636	1.0943
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))	0.7011	1.2876	1.1649	0.8464
N2,N2-dimethylguanosine	NA	0.0482	1.4399	1.5119
N2,N6-diacetyllysine	0.6972	0.9959	1.2654	1.0415
N6-acetyllysine	0.4486	0.9821	1.2220	1.3473
N6-carbamoylthreonyladenosine	NA	0.0543	1.7060	1.2397
N6-carboxyethyllysine	1.0860	1.2328	0.8230	0.8582
N6-carboxymethyllysine	1.0401	1.3118	0.8664	0.7817
N6-formyllysine	0.7529	0.8840	0.9954	1.3677
N6-methyladenosine	0.5512	1.4488	NA	NA
N6-methyllysine	0.9102	1.0414	0.9084	1.1400
N6,N6,N6-trimethyllysine	0.4309	0.3901	1.4215	1.7576
N6-succinyladenosine	NA	0.0828	2.0389	0.8783
N-acetyl-1-methylhistidine*	0.6216	0.8891	1.2810	1.2083
N-acetyl-2-aminooctanoate*	NA	NA	1.2185	0.7815
N-acetyl-3-methylhistidine*	NA	NA	0.9658	1.0342
N-acetylalanine	0.3522	0.2882	1.7336	1.6260
N-acetylarginine	0.2002	0.2297	1.6679	1.9022
N-acetylaspartate (NAA)	0.8049	2.5183	0.4126	0.2642
N-acetyl-aspartyl-glutamate (NAAG)	0.4794	NA	1.4500	1.0705
N-acetyl-beta-alanine	1.0971	0.9504	0.7608	1.1916
N-acetyl-beta-glucosaminylamine	1.5690	1.4495	0.4538	0.5277
N-acetyl-cadaverine	1.4082	2.1409	0.2925	0.1584
N-acetylcitrulline	1.4564	0.8763	0.9674	0.6998
N-acetylcysteine	0.7711	0.9480	1.1073	1.1736
N-acetylglucosamine 6-sulfate	1.0000	NA	NA	NA
N-acetylglucosamine/N-acetylgalactosamine	2.1825	1.8032	0.0103	0.0040
N-acetylglucosaminylasparagine	0.7382	0.5868	1.0872	1.5878
N-acetylglutamate	2.2096	1.7375	0.0224	0.0305
N-acetylglutamine	1.8039	1.6774	0.2777	0.2410
N-acetylhistamine	1.3252	2.5304	0.0734	0.0710
N-acetylhistidine	0.4020	0.5098	1.5303	1.5579
N-acetylhomocitrulline	1.1060	0.8486	0.8441	1.2012
N-acetylisoleucine	0.4700	0.3815	1.8917	1.2568
N-acetyl-isoputreanine	1.1119	1.3645	0.8735	0.6501
N-acetylleucine	1.1995	0.8565	1.0497	0.8942
N-acetylmethionine	0.8094	0.4350	1.3810	1.3746
N-acetylmethionine sulfoxide	1.3251	0.7629	0.8089	1.1031
N-acetylmuramate	1.2339	1.6816	0.0845	NA
N-acetylneuraminate	0.9161	1.0302	1.1874	0.8663
N-acetylphenylalanine	0.9728	0.8301	1.1376	1.0596
N-acetylproline	1.0158	0.8900	1.0133	1.0809
N-acetylputrescine	0.3439	0.8834	1.6494	1.1233
N-acetylpyrraline	0.5272	0.3986	1.6686	1.4056
N-acetylserine	0.4409	0.4970	1.6300	1.4321
N-acetyltaurine	0.2212	0.0421	1.7219	2.0149
N-acetylthreonine	0.4385	0.4658	1.7085	1.3872
N-acetyltyrosine	1.0391	0.9208	0.9994	1.0406
N-acetylvaline	1.0161	0.6656	1.2688	1.0495
N-alpha-acetylornithine	1.5582	1.1361	0.6648	0.6409
naringenin	1.2719	0.5976	1.5122	0.6183
naringenin 7-glucuronide	NA	NA	0.6039	1.3961
narirutin (naringenin 7-O-rutinoside)	NA	NA	1.0562	0.9438
N-butyryl-leucine	1.6781	0.6293	0.7429	0.9496
N-butyryl-phenylalanine	NA	1.0000	NA	NA
N-carbamoylalanine	0.7411	NA	1.3923	0.8666
N-carbamoylputrescine	0.7486	2.7094	0.2952	0.2467
N-carboxymethylalanine	1.3363	2.2493	0.2591	0.1554
N-delta-acetylornithine	0.8076	2.1127	0.5557	0.5241
N-formylanthranilic acid	1.6615	1.0224	0.6996	0.6165
N-formylmethionine	1.5050	1.4423	0.5339	0.5189
N-formylphenylalanine	1.3286	1.6065	0.5309	0.5340
N-glycolylneuraminate	0.8499	1.1501	NA	NA
nicotianamine	0.9330	1.9525	0.5817	0.5328
nicotinamide	1.4354	1.4836	NA	0.0810
nicotinamide N-oxide	NA	NA	0.8427	1.1573
nicotinamide ribonucleotide (NMN)	1.0599	0.9401	NA	NA
nicotinamide riboside	1.3096	1.1536	0.9142	0.6226
nicotinate	0.8856	1.6698	0.8659	0.5787
nicotinate ribonucleoside	2.2845	1.5891	0.0650	0.0614
nicotinic acid mononucleotide (NaMN)	0.7049	1.2951	NA	NA
nisinate (24:6n3)	0.2585	1.6617	1.5434	0.5363
N-linoleoylglycine	NA	0.8252	1.1748	NA
N-methyl-GABA	0.9906	1.7898	NA	0.2196
N-methylproline	1.8546	2.0790	0.0217	0.0447
N-monomethylarginine	1.4686	0.9187	NA	0.6127
N,N-dimethyl-5-aminovalerate	1.3627	2.1541	0.2147	0.2685
N,N-dimethylalanine	0.9048	1.0952	NA	NA
N,N-dimethyl-pro-pro	0.7583	0.6269	1.3368	1.2780
N,N-dimethylvaline	1.8219	1.9813	0.0878	0.1091
N,N,N-trimethyl-5-aminovalerate	0.8350	1.1650	NA	NA
N,N,N-trimethyl-alanylproline betaine (TMAP)	0.8819	0.7667	1.2389	1.1125
nonadecanoate (19:0)	0.4276	0.5942	2.1093	0.8689
N-palmitoylglycine	NA	0.6735	1.3541	0.9724
N-palmitoyl-sphingadienine (d18:2/16:0)*	0.8337	1.2667	0.9643	0.9353
N-palmitoyl-sphinganine (d18:0/16:0)	0.4866	0.6238	1.3878	1.5017
N-palmitoyl-sphingosine (d18:1/16:0)	0.5736	0.7748	1.5018	1.1497
N-stearoyl-sphinganine (d18:0/18:0)*	0.7598	1.0155	1.0398	1.1848
N-stearoyl-sphingosine (d18:1/18:0)*	0.6332	0.8133	1.5471	1.0064
N-succinyl-phenylalanine	0.6532	0.6152	1.3589	1.3727
octadecadienedioate (C18:2-DC)*	1.2830	1.5606	NA	0.1564
octadecanedioate (C18-DC)	1.3269	1.7539	0.5737	0.3455
octadecanedioylcarnitine (C18-DC)*	1.5724	1.2289	0.6735	0.5252
octadecenedioate (C18:1-DC)	1.2418	1.3575	0.7753	0.6254
octadecenedioylcarnitine (C18:1-DC)*	0.8932	1.0322	1.0698	1.0048
octanoylcarnitine (C8)	0.3574	0.5684	1.7351	1.3391
oleanolate	1.0582	0.9418	NA	NA
oleate/vaccenate (18:1)	0.6386	1.5315	1.1977	0.6322
oleoylcarnitine (C18:1)	0.6173	0.7075	1.6448	1.0304
oleoylcholine	1.5379	0.8749	0.7588	0.8284
oleoyl ethanolamide	1.1780	0.9957	0.9536	0.8727
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	2.8989	0.1224	0.3108	0.6679
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	2.5714	0.2468	0.4284	0.7534
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	2.2403	NA	0.1253	0.6343
ornithine	1.0140	1.3597	0.6800	0.9463
orotate	0.3365	0.3112	0.7480	2.6043
orotidine	0.1117	NA	1.5423	1.3461
O-sulfo-L-tyrosine	0.3170	0.3718	1.7333	1.5779
o-Tyrosine	1.0944	1.2367	0.6171	1.0518
oxalate (ethanedioate)	0.5727	1.4460	1.1091	0.8722
oxindolylalanine	1.3558	1.7710	0.4332	0.4400
palmitate (16:0)	0.5797	0.8827	1.6558	0.8818
palmitoleate (16:1n7)	1.2826	1.3170	0.7367	0.6636
palmitoleoylcarnitine (C16:1)*	0.5276	0.4124	1.9617	1.0982
palmitoleoyl ethanolamide*	0.5679	0.8349	1.3136	1.2836
palmitoylcarnitine (C16)	0.5234	0.6682	1.7264	1.0819
palmitoylcholine	1.3404	0.8918	0.9673	0.8006
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	0.2954	0.3596	1.7759	1.5690
palmitoyl ethanolamide	1.0136	1.1494	0.9621	0.8749
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*	2.7739	0.2148	0.3606	0.6507
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	2.9563	0.1334	0.2791	0.6312
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	2.5505	0.2438	0.4472	0.7585
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	1.6427	NA	NA	0.3573
palmitoyl sphingomyelin (d18:1/16:0)	0.3173	0.3863	1.8103	1.4861
pantetheine	1.0547	1.5314	0.4139	NA
pantoate	1.5002	0.7485	0.9615	0.7898
pantothenate	1.2014	1.7825	0.4790	0.5371
p-cresol sulfate	1.1811	0.8189	NA	NA
pentadecanoate (15:0)	1.1164	1.9427	0.5549	0.3860
pentose acid*	0.3006	0.1351	1.9324	1.6319
phenethylamine	0.7108	1.6098	0.6928	0.9865
phenol sulfate	0.7319	1.8690	NA	0.3991
phenylacetate	0.9388	1.0612	NA	NA
phenylacetylglycine	1.0158	1.5686	0.5418	0.8738
phenylacetyltaurine	NA	NA	0.8266	1.1734
phenylalanine	1.5536	1.3430	0.5136	0.5898
phenylalanylalanine	1.7887	0.8468	0.7508	0.6137
phenylalanylglycine	2.0947	0.9631	0.4260	0.5161
phenyllactate (PLA)	1.6331	1.2957	0.8976	0.1736
phenylpyruvate	1.1423	2.1456	0.3347	0.3775
pheophorbide A	2.6391	0.8995	0.2327	0.2287
pheophytin A	2.2395	1.5160	0.0828	0.1617
phosphate	0.1194	2.8834	0.4924	0.5048
p-hydroxybenzaldehyde	2.3751	0.6807	0.5961	0.3481
phytosphingosine	0.9232	1.2122	1.1960	0.6686
picolinate	1.2375	1.8306	0.5910	0.3409
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	0.8335	1.3124	0.8541	NA
pinitol	0.5107	0.0828	1.4520	1.9544
pinosylvin	1.3242	0.6758	NA	NA
pinosylvin monomethylether	1.7467	1.1760	0.6608	0.4165
pipecolate	2.2249	1.5339	0.1217	0.1195
pregnenediol disulfate (C21H34O8S2)*	0.1299	1.8701	NA	NA
pro-hydroxy-pro	NA	NA	0.9347	1.0653
proline	0.4739	0.5382	1.4145	1.5734
prolylglycine	0.1837	0.1264	1.7600	1.9298
propionylcarnitine (C3)	1.3384	2.1695	0.1774	0.3147
protoporphyrin IX	0.8863	1.6478	0.9900	0.4759
pseudouridine	0.1642	0.6296	1.9729	1.2333
putrescine	0.0877	0.1439	2.2598	1.5085
pyridoxal	1.1240	1.8310	0.0450	NA
pyridoxamine	1.5049	1.3689	0.6985	0.4277
pyridoxate	1.0393	2.1254	0.3991	0.4361
pyridoxine (Vitamin B6)	0.7940	1.2060	NA	NA
pyrraline	0.7085	0.6689	0.9313	1.6913
pyruvate	0.7412	0.5849	1.4533	1.2205
quinate	0.3950	0.3970	1.3581	1.8498
quinolinate	0.2855	2.5144	0.5974	0.6027
(R)-3-hydroxybutyrylcarnitine	NA	1.0000	NA	NA
raffinose	NA	NA	1.3517	0.6483
resveratrol sulfate (1)*	NA	NA	1.2965	0.7035
ribitol	1.5672	0.5512	0.7038	1.1777
riboflavin (Vitamin B2)	0.9707	1.4742	1.2610	0.2941
ribonate	0.3507	0.2678	1.7486	1.6328
ribose	1.3581	2.1798	0.1288	0.3333
ribulose/xylulose	1.8790	1.5587	0.3091	0.2532
S-1-pyrroline-5-carboxylate	1.0554	1.5203	0.9315	0.4927
(S)-3-hydroxybutyrylcarnitine	0.8408	2.0862	NA	0.0731
S-(3-hydroxypropyl)mercapturic acid (HPMA)	1.1051	1.2940	0.7944	0.8065
(S)-a-amino-omega-caprolactam	1.0279	0.9456	0.9500	1.0765
sakuranetin	NA	NA	1.0000	NA
salicylate	2.2539	1.4361	0.1429	0.1672
S-carboxyethylcysteine	0.1200	0.0985	1.2530	2.5284
sebacate (C10-DC)	1.1212	2.0029	0.3438	0.5321
serine	1.6232	1.6913	0.3522	0.3333
serotonin	1.1415	1.7456	0.5880	0.5249
shikimate	NA	0.1900	0.8874	1.9226
sinapate	1.8715	1.3133	0.4807	0.3345
S-methylcysteine	1.1329	0.8671	NA	NA
soyasaponin I	0.7296	0.1760	1.6279	1.4665
soyasaponin II	0.7225	0.1823	1.6122	1.4830
soyasaponin III	1.7058	0.5312	0.8984	0.8646
spermidine	0.4990	2.5163	0.5896	0.3951
spermine	0.0469	1.0673	1.9811	0.9047
sphingadienine	0.8136	0.7976	1.2238	1.1651
sphinganine	0.8766	1.9807	0.6254	0.5174
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*	0.2824	0.2514	1.9579	1.5082
sphingomyelin (d18:1/14:0, d16:1/16:0)*	0.1938	NA	1.3476	1.4585
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*	NA	NA	1.0644	0.9356
sphingomyelin (d18:1/24:1, d18:2/24:0)*	0.1151	NA	1.5530	1.3319
sphingosine	0.4225	0.3695	2.0493	1.1587
stachydrine	0.9964	1.6614	0.7448	0.5974
stachyose	0.0863	0.1147	1.9093	1.8897
stearidonate (18:4n3)	1.0287	1.1843	0.8815	0.9054
stearoylcarnitine (C18)	0.7506	0.9412	1.4438	0.8644
stearoyl ethanolamide	1.1148	1.3790	0.7878	0.7184
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*	2.1693	NA	0.3135	0.5173
stearoyl sphingomyelin (d18:1/18:0)	0.4330	0.6183	1.7513	1.1973
stigmastadienone	0.9628	1.0781	1.0721	0.8869
stigmasterol	0.8687	0.9309	1.2380	0.9624
suberate (C8-DC)	1.4040	1.7375	0.4020	0.4565
succinate	1.2291	0.5759	1.0509	1.1441
succinoyltaurine	NA	NA	0.9219	1.0781
succinylcarnitine (C4-DC)	0.8597	1.6252	0.8446	0.6705
sucrose	0.1700	0.1392	1.5307	2.1602
sulfate*	1.2832	2.1714	0.2689	0.2765
syringic acid	3.1275	0.4895	0.2062	0.1768
tartarate	NA	NA	NA	1.0000
tartronate (hydroxymalonate)	0.6366	2.3421	0.5318	0.4896
taurine	2.5137	1.1646	0.1227	0.1991
tauro-beta-muricholate	0.0892	0.0138	2.6817	1.2153
taurochenodeoxycholate	0.3063	NA	1.5545	1.1392
taurochenodeoxycholic acid (7 or 27)-sulfate	NA	NA	1.3026	0.6974
taurocholate	0.2508	0.0388	2.4837	1.2266
taurocholenate sulfate*	0.6244	0.2570	2.0851	1.0335
taurodeoxycholate	1.0000	NA	NA	NA
tauroursodeoxycholate	0.2019	0.0330	2.0675	1.6977
tauroursodeoxycholic acid sulfate (2)	NA	NA	1.1848	0.8152
tetradecadienoate (14:2)*	0.5256	0.8404	1.2517	1.3822
thiamin (Vitamin B1)	0.2832	0.3502	2.4380	0.9285
thioproline	0.5149	0.8704	1.3560	1.2588
threonate	0.6758	0.9990	0.7152	1.6099
threonine	1.5756	1.5917	0.4085	0.4242
threonylphenylalanine	2.0228	1.0108	0.4838	0.4826
thymidine	1.4864	2.1079	0.2712	0.1345
thymine	1.1446	0.7355	1.3583	0.7615
trans-4-hydroxyproline	0.1762	0.1930	1.8422	1.7886
trans-urocanate	0.6559	1.4348	0.8930	1.0163
tricarballylate	1.4345	2.3683	0.0892	0.1080
triethanolamine	1.6231	0.9545	0.8214	0.6010
trigonelline (N^-methylnicotinate)	0.8841	1.3326	0.9289	0.8544
trimethylamine N-oxide	1.8007	1.7606	0.1634	0.2753
tryptamine	0.4666	1.5334	NA	NA
tryptophan	1.5353	1.4292	0.4791	0.5564
tryptophol	0.4578	1.5422	NA	NA
tryptophylglycine	2.0884	0.9456	0.4867	0.4793
tyramine	0.6163	2.8221	0.2409	0.3207
tyrosine	1.6049	1.4340	0.4593	0.5019
tyrosol	0.4194	1.5806	NA	NA
tyrosylglycine	1.4713	0.7060	0.8955	0.9272
undecanedioate (C11-DC)	1.2500	1.7093	0.5799	0.4607
uracil	0.7239	1.9691	0.8196	0.4874
urate	0.1832	0.6713	1.6218	1.5237
urea	NA	NA	1.0739	0.9261
uridine	1.6086	2.2642	0.0822	0.0450
uridine-2^,3^-cyclic monophosphate	0.1467	1.8533	NA	NA
uridine 5^-monophosphate (UMP)	0.5259	1.4741	NA	NA
ursodeoxycholate	1.1128	0.8872	NA	NA
ursodeoxycholate sulfate (1)	0.4143	1.5857	NA	NA
valerate (5:0)	1.9891	1.0011	0.0098	NA
valine	1.4820	1.3001	0.5659	0.6519
val-val-ala	2.5651	1.1597	0.1143	0.1609
valylglutamine	1.9549	0.8239	0.5416	0.6795
valylglycine	2.4496	1.0484	0.2018	0.3002
valylleucine	2.8114	0.8885	0.1439	0.1563
vanillactate	1.4439	0.6222	1.0723	0.8616
vanillate	3.3963	0.3511	0.1430	0.1096
vanillic acid glycine	NA	NA	1.0173	0.9827
vanillic alcohol sulfate	NA	NA	1.0699	0.9301
vanillin	0.7725	1.1710	1.1490	0.9075
vanillin sulfate	0.0312	0.0148	2.0325	1.9216
vitamin D3 sulfate	0.4223	2.3168	0.8391	0.4218
xanthine	0.1552	0.4032	2.4414	1.0002
xanthosine	1.4220	1.7773	0.4712	0.3294
xanthurenate	1.0283	2.5446	0.2301	0.1970
xylose	NA	1.8762	NA	0.1238

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

Factors:

F1	SAMPLE_DESCRIPTION:Mouse; cecal post D Glucaro 1,4 lactone Female
F2	SAMPLE_DESCRIPTION:Mouse; cecal post D Glucaro 1,4 lactone Female Control
F3	SAMPLE_DESCRIPTION:Mouse; Control mono E. coli Cecum
F4	SAMPLE_DESCRIPTION:Mouse; GUS+ mono E. coli Cecum