Metabolite_name	RefMet_name	IL01_1_12_LCQQQneg	IL01_2_12_LCQQQneg	IL02_1_12_LCQQQneg	IL02_2_12_LCQQQneg	IL03_1_12_LCQQQneg	IL03_2_12_LCQQQneg	IL04_1_12_LCQQQneg	IL04_2_12_LCQQQneg	IL05_1_12_LCQQQneg	IL05_2_12_LCQQQneg	IL06_1_12_LCQQQneg	IL06_2_12_LCQQQneg	IL07_1_12_LCQQQneg	IL07_2_12_LCQQQneg	IL02_1_36_LCQQQneg	IL02_2_36_LCQQQneg	IL04_1_36_LCQQQneg	IL04_2_36_LCQQQneg	IL05_1_36_LCQQQneg	IL05_2_36_LCQQQneg	IL06_1_36_LCQQQneg	IL06_2_36_LCQQQneg	IL07_1_36_LCQQQneg	IL07_2_36_LCQQQneg	IL02_1_72_LCQQQneg	IL02_2_72_LCQQQneg	IL03_1_72_LCQQQneg	IL03_2_72_LCQQQneg	IL04_1_72_LCQQQneg	IL04_2_72_LCQQQneg	IL05_1_72_LCQQQneg	IL05_2_72_LCQQQneg	IL06_1_72_LCQQQneg	IL06_2_72_LCQQQneg	IL07_1_72_LCQQQneg	IL07_2_72_LCQQQneg	IL02_U_0_LCQQQneg	IL03_U_0_LCQQQneg	IL04_U_0_LCQQQneg	IL05_U_0_LCQQQneg	IL06_U_0_LCQQQneg	IL07_U_0_LCQQQneg	IL01_U_12_LCQQQneg	IL02_U_12_LCQQQneg	IL03_U_12_LCQQQneg	IL04_U_12_LCQQQneg	IL05_U_12_LCQQQneg	IL06_U_12_LCQQQneg	IL07_U_12_LCQQQneg	IL02_U_36_LCQQQneg	IL03_U_36_LCQQQneg	IL04_U_36_LCQQQneg	IL05_U_36_LCQQQneg	IL06_U_36_LCQQQneg	IL07_U_36_LCQQQneg	IL02_U_72_LCQQQneg	IL03_U_72_LCQQQneg	IL04_U_72_LCQQQneg	IL05_U_72_LCQQQneg	IL06_U_72_LCQQQneg	IL07_U_72_LCQQQneg
Factors	-	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72
Adenosine 5-monophosphate	AMP	22.1479	24.7384	0.5854	7.7015	10.7594	18.0990	9.9425	6.6632	9.8601	13.4237	5.5056	11.8334	2.2861	6.6015	1.8476	8.1421	1.5032	0.0715	13.5040	10.4125	14.3237	12.5658	4.4784	3.6721	0.5307	9.7633	7.1352	12.9368	13.9237	12.6075	14.6277	6.1383	2.8047	0.9418	0.7221	0.9088	6.6341	12.7849	6.9243	2.6538	0.5067	4.3838	18.2827	7.0477	14.4178	7.8771	3.2417	0.7320	3.1029	15.2545	11.8413	9.7698	5.6448	1.0615	2.6385	0.5806	15.9073	14.2984	1.9273	0.7633	0.7959
Arginine	Arginine	6.0264	5.8213	3.5805	5.2373	3.3354	3.1972	3.8701	3.4615	1.9139	2.7955	5.9129	5.6337	6.4597	4.8191	0.4958	3.5253	1.4783	2.8260	1.9721	2.3240	2.9963	3.3897	3.6646	3.9288	0.9236	0.1625	0.0884	0.2150	0.2716	0.4737	4.3735	6.5315	4.2705	6.9574	8.9578	9.5869	17.9599	2.1144	3.1938	4.1709	3.1068	2.2513	4.6432	3.8396	4.2643	6.6381	3.7627	4.5076	7.0936	3.6088	3.7205	4.5618	2.3753	4.3878	6.8745	0.8800	2.6392	3.5238	6.6012	20.2409	10.8337
Asparagine	Asparagine	0.6553	0.6720	0.4056	0.4953	0.4048	0.1994	0.5115	0.2669	0.0649	0.8953	1.0196	0.9034	0.8908	0.1866	0.0543	0.1992	0.1324	0.6011	0.1205	0.2156	0.2263	0.2256	0.2067	0.3135	0.6187	0.0994	0.1487	0.2539	0.1435	0.2182	0.6217	0.8336	1.2158	1.8870	2.5779	2.7551	12.4257	0.7204	1.0762	1.4996	0.9181	0.4134	0.3656	0.6319	1.3485	1.6648	1.2808	1.8571	1.4829	0.1504	1.0976	1.1649	0.8792	1.5962	1.2904	0.4275	0.7962	1.4050	2.1728	9.3334	4.3559
Aspartic Acid	Aspartic acid	10.9601	10.0818	4.1908	7.6204	5.4619	7.2581	6.1387	5.6366	3.8592	4.7061	8.8044	7.8886	6.7536	7.3597	7.0100	19.7551	3.8205	4.7314	5.7065	5.0839	7.4956	6.5296	5.0862	4.6139	12.1593	20.8458	4.5234	8.0086	10.8041	7.4560	7.3460	6.2384	10.1678	13.8889	15.1298	15.8010	6.8721	4.1081	6.3702	11.2853	5.1496	3.2434	9.6862	6.0200	8.3344	14.4234	11.3996	9.8314	11.5596	34.6526	7.2613	9.5177	8.6905	10.9817	9.1673	13.5587	8.7173	12.6584	8.2504	12.8924	20.2739
Creatinine	Creatinine	0.0100	0.0039	0.0057	0.0110	0.0505	0.0361	0.0384	0.0321	0.0252	0.0405	0.0435	0.0567	0.0573	0.0320	0.2986	0.0071	0.0226	0.0470	0.0548	0.0378	0.0031	0.0110	0.0669	0.0350	0.0061	0.0102	0.0014	0.0017	0.0005	0.0001	0.0036	0.0043	0.0180	0.0066	0.0059	0.0027	0.2029	0.0110	0.0188	0.0357	0.0395	0.0086	0.0073	0.0101	0.0549	0.0553	0.0225	0.0065	0.0211	0.0038	0.0474	0.0281	0.0131	0.0230	0.0181	0.0018	0.0054	0.0071	0.0179	0.0510	0.0006
Dihydroxyacetone phosphate	Dihydroxyacetone phosphate	11.6042	7.1969	2.7653	3.2350	13.2691	27.7480	7.6430	11.6764	12.1045	27.0192	65.7722	46.9181	13.2550	3.8013	0.2473	3.0174	1.1211	0.9900	21.4060	15.8458	24.0457	9.7741	1.7785	1.5025	0.3201	1.2701	0.6589	2.4185	0.6365	0.5809	15.9825	6.8035	21.2820	23.8610	6.5528	5.0147	4.9169	21.4676	9.5110	39.9411	22.6006	11.6943	0.7550	1.8544	22.8094	11.2461	42.4960	29.5448	30.4177	8.1510	21.9681	11.8499	34.9106	40.1292	13.5437	12.2411	7.5674	5.8939	33.1952	17.4118	9.1276
Fructose 6-phosphate	Fructose 6-phosphate	33.9888	21.6774	16.7072	22.0335	135.0127	203.7573	67.8874	74.1907	69.3581	107.7978	70.9945	24.6775	26.2501	8.2499	8.6298	14.5820	18.3233	4.0649	87.7823	44.7924	25.3450	20.3546	10.6623	22.6816	2.2614	43.5101	109.7973	172.9742	97.8381	149.1279	136.4873	79.2821	17.4801	16.3322	6.0125	5.6503	19.5930	100.0260	48.9303	69.9237	20.6861	16.5263	162.4272	5.6778	90.5881	41.0288	83.5762	48.8292	42.9251	16.7387	39.3035	26.8934	58.7229	48.5164	52.4604	5.5783	331.3987	198.4329	149.6424	49.3384	10.2931
Fumaric acid	Fumaric acid	0.0099	0.0192	0.0146	0.0149	0.1059	0.3485	0.0174	0.0144	0.0177	0.0058	0.2529	0.0195	0.0185	0.0107	0.0128	0.0102	0.0015	0.0191	0.0162	0.0150	0.0178	0.1494	0.0975	0.0371	0.0072	0.0135	0.2063	0.0482	0.0574	0.2395	0.0078	0.0129	0.0162	0.0706	0.0438	0.0222	1.2125	0.1006	0.1456	0.2103	0.1340	0.0820	0.0158	0.0032	0.1184	0.1390	0.2399	0.0599	0.0122	0.0129	0.1187	0.1322	0.1606	0.2338	0.1004	0.0163	0.0056	0.2794	0.0248	0.1360	0.0632
Glucose 6-phosphate	Glucose 6-phosphate	2.5652	5.0153	4.0377	3.3059	7.1212	3.7388	6.0817	4.6498	5.4622	35.3028	38.5949	16.2417	9.9723	0.9144	2.0373	9.4358	0.9882	1.7691	17.1701	15.0179	7.4091	7.8998	0.5360	2.8642	0.3349	3.4923	1.6535	2.1425	1.4403	3.2516	4.0278	2.6271	13.3986	11.5215	4.9776	4.9111	16.7552	47.5234	33.3167	41.1834	14.6640	13.5646	3.3709	5.3431	47.5360	32.9285	43.3735	33.7851	27.8483	15.9252	31.0148	24.0735	39.4029	37.2644	24.3330	2.9974	13.2018	12.0881	57.2900	75.6874	9.0414
Glutamic acid	Glutamic acid	44.8337	42.3123	9.8340	18.2197	23.4844	43.6836	27.9979	31.8554	11.8165	18.4236	32.9660	27.7882	19.4941	18.2046	7.5844	20.3856	11.4637	14.0269	22.7821	17.5765	36.0479	29.9946	18.9683	16.1800	12.2328	17.8726	16.3003	29.8944	40.0396	40.7261	31.3751	16.9981	38.6591	46.8608	45.5748	48.9073	12.4288	44.2962	35.5618	41.3142	46.7850	28.4735	94.1364	13.7235	43.7463	57.8619	38.9679	42.8396	40.0252	29.7135	37.5502	47.9401	43.9848	49.4147	44.7313	8.8164	44.9771	57.4341	22.9632	41.9637	62.3958
Glutamine	Glutamine	1.2521	1.7268	4.2147	5.4513	3.4414	1.6439	3.6722	3.0851	2.7205	4.2799	4.9835	5.8538	5.5131	4.5210	0.7731	2.4876	1.8322	3.5363	2.4678	2.3210	3.3622	2.9037	3.8009	4.0508	0.1464	0.3426	0.1211	0.1461	0.1700	0.3036	0.7291	0.7591	1.4997	1.8394	3.3634	3.5614	17.2819	2.1394	3.0144	3.8855	2.4601	2.1028	1.5189	4.2359	4.1794	5.3857	3.6925	4.8451	5.7989	3.4736	3.4138	4.2632	3.2105	4.0322	5.0540	0.3781	0.8036	1.5727	3.7073	10.5340	5.3502
Glutathione reduced	Glutathione	123.9650	150.8567	0.1529	0.5248	1.2554	1.3067	1.2059	1.9192	2.4629	10.1776	0.9964	0.7319	0.0302	0.0601	0.2316	1.9328	0.0828	0.0679	4.2403	2.2854	3.6124	1.3057	0.0616	0.1011	0.1296	1.0798	0.2066	1.6760	1.6056	0.9584	8.8880	1.5001	2.9095	2.9600	0.0442	0.0870	0.1324	8.8628	16.9472	95.9996	6.3537	1.6622	15.3026	0.2052	11.7662	5.1907	71.9851	15.8955	2.4165	2.6635	5.9405	8.5170	115.7384	19.5685	1.9241	0.1338	5.5945	1.3414	2.9018	5.1760	1.6351
Glyceraldehyde 3-phosphate	Glyceraldehyde 3-phosphate	1.9016	1.3046	0.3090	0.3381	1.1197	0.9536	0.8189	0.5440	0.8490	3.0718	2.5012	1.1828	0.7734	0.4065	0.1810	0.8968	0.1611	0.2003	1.2491	1.3625	1.0574	0.6579	0.1814	0.3053	0.0404	0.4427	0.1685	0.2787	0.2482	0.2729	0.4429	0.3619	1.1704	1.1578	0.5667	0.6225	0.2632	5.2456	2.9982	4.5901	1.4133	1.0406	0.6161	0.4904	4.7553	3.1373	5.7834	3.0119	2.0719	1.0140	2.8980	2.3249	3.7716	3.3828	1.5100	0.3443	1.1256	1.0656	4.2664	3.9449	0.8632
Guanosine	Guanosine	0.0112	0.0423	0.0057	0.0313	0.0212	0.0021	0.0194	0.0404	0.0073	0.0539	0.0109	0.0150	0.0129	0.0298	0.0330	0.2861	0.0323	0.0205	0.0544	0.0410	0.0161	0.0448	0.0278	0.0543	0.0008	0.0478	0.0665	0.0984	0.0819	0.3535	0.0480	0.1396	0.1917	0.7395	0.2041	0.3307	0.8132	0.2355	0.6142	1.8894	0.6023	0.1491	0.1595	0.0847	0.2628	0.3691	1.5734	3.0090	0.4389	0.5306	0.2675	0.3003	0.8485	1.7612	0.4122	0.3003	0.2176	0.4407	0.2537	2.5951	3.5014
Histidine	Histidine	0.3063	0.3676	0.0769	0.3128	0.0755	0.0363	0.1642	0.1233	0.0750	0.0991	0.2626	0.2351	0.2231	0.1508	0.0461	0.2149	0.0497	0.1033	0.1212	0.0507	0.2024	0.0945	0.1160	0.1839	0.1788	0.0255	0.1523	0.1702	0.1796	0.1049	0.1280	0.1768	0.3602	0.5349	0.8452	0.8542	0.0678	0.2035	0.2878	0.4260	0.2809	0.1545	0.5095	0.1333	0.3365	0.6412	0.4856	0.6225	0.7768	0.0377	0.2989	0.3442	0.3296	0.4637	0.6153	0.2155	0.2428	0.3674	0.6122	1.7937	1.3525
Hypoxanthine	Hypoxanthine	16.9778	13.7595	5.1126	4.6021	9.1236	14.7378	7.1175	6.5058	5.2180	14.9420	43.9044	14.1733	11.9531	2.8459	3.7561	12.6708	2.2528	5.0702	9.5115	6.3598	15.0503	10.0438	3.7251	3.1986	2.5155	4.9926	3.3213	4.8371	4.8062	8.6996	4.2296	3.1230	31.5009	38.6211	30.9029	38.7835	4.5079	15.2977	23	35.3618	11.7619	7.3699	4.3865	1.8855	17.5298	21.0826	31.4719	31.7548	18.9248	10.3267	21.8291	22.1096	30.4416	37.4464	18.1082	3.7348	16.3862	20.8468	10.2831	33.8782	42.5919
Inosine	Inosine	0.1392	0.4417	0.0097	0.1427	0.1305	0.3020	0.1689	0.3324	0.1777	0.3423	0.1720	0.1561	0.1277	0.1746	0.8057	6.5965	0.3321	0.1814	1.2926	0.7301	1.8962	0.6634	0.3835	0.2153	0.1554	1.3851	0.5640	1.0172	1.4557	3.4338	1.5315	0.8697	4.1433	10.0406	2.3691	3.3826	4.6127	13.2708	16.7476	34.6356	7.1874	5.8818	5.1089	1.4479	11.4475	10.6705	33.6382	40.7807	15.5949	11.0223	13.5396	12.4581	29.8244	31.1860	12.3521	3.8320	7.7000	10.2690	4.8496	26.4667	34.1516
Isoleucine	Isoleucine	0.1309	0.1290	0.0828	0.1859	0.0979	0.0933	0.0671	0.0457	0.0847	0.0963	0.2053	0.0985	0.1486	0.1536	0.0519	0.0773	0.0743	0.1919	0.0900	0.0536	0.1182	0.1290	0.1990	0.0970	0.1890	0.1206	0.0529	0.1292	0.2610	0.1054	0.1379	0.1283	0.1611	0.2651	0.2237	0.1460	0.2144	0.0655	0.0935	0.1876	0.1035	0.0636	0.1351	0.0625	0.1047	0.2266	0.1661	0.1687	0.2150	0.1075	0.1125	0.1548	0.1115	0.1728	0.2519	0.0802	0.1094	0.1405	0.1731	0.2045	0.2917
Lactic acid	Lactic acid	1.7484	1.8920	1.4410	2.3733	2.0861	2.0596	2.7792	0.8649	2.4551	1.7346	2.2510	3.3485	2.8274	1.6697	0.7566	0.8280	1.5537	1.5538	2.5762	2.5545	2.3714	2.8260	2.6443	1.8914	1.6895	1.0555	2.0479	1.3566	2.6606	2.6044	2.7222	2.5686	2.1947	3.2775	3.4894	3.0731	48.1078	3.4414	4.7617	8.5840	14.6814	2.0991	2.8085	1.1751	4.4770	4.4923	7.2490	1.4597	3.7249	1.4474	4.2702	2.8228	4.6786	4.0256	4.1210	1.8271	1.6268	4.1776	3.8343	17.1484	4.6491
L-Citrulline	Citrulline	0.1246	0.2745	1.6264	0.0961	0.4266	0.9668	0.2666	0.8836	0.8055	2.3704	2.0228	0.7903	1.1249	0.3088	3.9177	1.7755	3.0051	3.4603	0.1858	0.1831	0.5587	0.2511	0.4214	0.2991	2.4958	5.2171	4.5321	7.7245	7.0047	8.0361	0.3718	0.3682	6.2531	3.2865	1.7125	1.0642	1.2540	0.0637	0.1054	0.0969	0.1250	0.0678	0.0649	0.2562	0.1327	0.1899	0.0964	0.4960	0.1052	0.0025	0.1878	0.1478	0.0669	0.1341	0.0255	1.7656	0.0203	0.0585	0.1615	0.6670	0.4992
Leucine	Leucine	0.6488	0.5907	0.3155	0.4992	0.2546	0.3248	0.3615	0.3717	0.2145	0.2106	0.4877	0.5162	0.4682	0.4517	0.2351	0.6985	0.2354	0.4023	0.4028	0.2991	0.6003	0.5160	0.6240	0.6074	0.3950	0.4273	0.3290	0.4096	0.6041	0.4631	0.4450	0.5125	0.7462	1.0727	1.4728	1.3960	0.6302	0.3315	0.6560	1.1279	0.5963	0.3331	0.5816	0.3086	0.7861	1.3046	0.9910	0.9795	1.4484	0.7704	0.6087	0.6604	0.6987	0.9641	1.4170	0.3477	0.6950	0.7883	0.8323	1.2210	2.1005
L-Gluthathione (oxidized)	Oxidized glutathione	12.4629	17.9103	0.0342	0.6498	1.8822	2.8868	1.0287	0.1528	1.4929	3.4180	4.0959	1.7036	0.0349	0.0731	0.0703	0.4322	0.0355	0.0085	3.6683	2.7468	2.2267	0.9039	0.0078	0.0063	0.0175	0.6384	0.4088	0.4693	1.0120	0.6921	4.4950	0.4230	1.0744	0.3829	0.0074	0.0104	0.0231	7.7909	4.5459	29.8764	4.9392	2.1956	5.1797	0.1971	3.6888	0.8265	26.9645	4.5763	0.3488	0.9903	4.5176	2.7181	27.4131	7.8144	0.0773	0.1525	1.4007	0.5035	0.5997	1.0664	0.1040
L-Kynurenine	Kynurenine	0.0098	0.0316	0.0119	0.0114	0.0609	0.0268	0.0419	0.0199	0.0327	0.0308	0.0751	0.0652	0.0728	0.0563	0.0034	0.0065	0.0382	0.0668	0.0600	0.0382	0.0318	0.0529	0.0365	0.0399	0.3268	0.1906	0.0029	0.0192	0.0736	0.0113	0.0321	0.0182	0.0416	0.0535	0.0319	0.0195	0.1937	0.0099	0.0157	0.2421	0.0749	0.0762	0.0352	0.0032	0.0270	0.0425	0.2321	0.0821	0.1249	0.0065	0.0323	0.0258	0.1250	0.0268	0.0581	0.0103	0.0091	0.0814	0.0445	0.0577	0.0202
Malic acid	Malic acid	49.1317	66.9748	18.1481	30.1518	32.3875	68.0397	41.7702	46.3820	19.1907	38.9538	64.7444	48.2799	27.4634	26.2919	17.3661	14.8304	13.4485	19.0214	47.8220	50.1614	57.7579	44.3720	20.9571	22.2491	15.0070	32.4766	12.1200	17.3971	33.1444	61.8263	28.9603	18.4491	26.2252	24.5603	31.7541	26.8066	52.1765	65.6921	128.4422	97.9521	63.7226	43.9990	22.1374	8.0790	48.5946	98.3846	88.6219	54.7269	50.6886	17.8542	63.4273	93.5182	131.1333	89.5886	45.8278	13.0675	28.9070	81.9064	23.0295	18.6055	22.3521
Methionine	Methionine	7.9414	7.5005	2.1296	3.3238	2.4898	2.9176	2.6932	3.3950	1.8202	2.6928	3.9732	3.4172	4.7835	2.9339	1.2387	5.0298	1.8489	2.7143	3.2540	2.4658	3.9687	3.4222	4.0604	3.5875	2.8973	3.2241	2.4241	3.6177	3.5238	3.4480	2.9624	4.3071	7.8001	11.8591	14.4495	16.8774	3.0597	4.3383	7.2739	10.6182	6.2164	2.7216	7.1836	2.3158	8.8356	12.1174	9.7313	10.3385	13.5080	6.4231	6.4447	7.8514	7.0438	10.1534	11.6378	2.5030	6.4104	7.9969	10.4281	18.2748	23.5198
myo-Inositol	Myo-inositol	211.4189	184.7761	344.4394	453.2676	342.3554	244.2106	336.9861	333.2523	268.9522	156.7982	274.9454	433.1935	471.5937	474.5268	84.8089	114.2386	173.7259	296.3801	167.5884	152.3105	238.9657	288.3877	374.2586	372.3346	697.6659	426.3063	200.3085	417.0168	437.8334	268.1716	381.1499	513.1775	439.4324	438.5267	357.0586	344.8854	382.1014	78.8539	54.3560	43.7185	73.1917	106.7140	287.8809	297.6297	206.1382	171.0102	31.6978	62.0533	265.0490	116.7761	159.6521	141.6673	42.3593	93.7758	203.3340	274.7496	298.1314	260.4501	189.5940	241.6945	90.0119
NAD	NAD	5.8255	3.8122	0.1266	0.7275	0.1117	0.1971	0.1771	0.1158	0.3282	0.3096	0.6744	0.3441	0.0540	0.2824	0.7117	1.5157	0.1258	0.1364	0.5897	0.5318	0.7093	0.3779	0.0651	0.0718	0.6881	1.2140	0.1540	0.3090	0.8238	0.4128	0.4742	0.3079	0.7342	1.1995	0.7781	1.1437	0.6530	0.3043	0.8194	3.5076	1.3392	0.3442	1.8387	0.1678	0.2852	0.6917	2.1482	2.2063	0.8386	0.8023	0.4296	0.6809	2.0149	2.3975	0.6885	0.2587	0.4334	0.7479	1.0590	1.6706	1.6432
Phenylalanine	Phenylalanine	37.2145	40.5953	9.3479	14.6184	9.9775	13.7878	12.2548	14.7145	7.6388	10.8693	19.7477	17.6595	19.0186	17.9885	7.8541	22.9615	9.8408	14.1511	14.4559	12.9461	24.7832	21.0808	25.0870	19.3587	22.0771	17.2981	11.4764	20.8203	26.3511	19.7166	15.2994	19.9842	35.8833	56.6464	70.0006	71.7870	10.1881	17.3272	32.5653	53.2633	30.2607	15.4045	27.3255	10.5708	32.8519	55.5658	50.4265	47.9304	57.5042	27.5222	24.0497	31.5990	29.4124	48.9198	59.7626	15.1078	25.9147	34.0197	35.2510	61.0275	117.3894
Proline	Proline	0.0803	0.0771	0.0100	0.0067	0.0272	0.0569	0.0446	0.0377	0.0317	0.0392	0.0632	0.0108	0.0433	0.0033	0.0006	0.0304	0.0211	0.0529	0.0132	0.0146	0.0342	0.0395	0.0460	0.0346	0.0415	0.0824	0.0115	0.0135	0.0141	0.0025	0.0214	0.0314	0.0903	0.1162	0.1652	0.1574	0.0953	0.0521	0.0629	0.0848	0.0363	0.0173	0.0542	0.0449	0.0786	0.1354	0.1041	0.0763	0.1269	0.0080	0.0425	0.0822	0.0491	0.0670	0.1390	0.0176	0.0542	0.0714	0.1470	0.2325	0.2598
Pyroglutamic acid	Pyroglutamic acid	202.0767	230.1994	558.0717	378.2245	335.0149	269.2757	407.9814	411.5931	515.2625	445.2648	279.2639	280.7099	327.4707	389.7779	835.5756	705.4703	740.8727	611.7141	531.4740	623.3266	492.2774	505.6716	501.2077	500.3732	207.9005	384.4643	609.9331	273.6011	291.3035	378.1243	310.6254	284.8799	289.7721	235.7512	341.5161	340.3239	266.3774	488.1898	503.8479	252.9404	621.8995	699.0812	290.4066	609.8268	345.8303	364.1181	283.9962	469.4111	324.3455	634.4123	486.8548	474.4712	302.5202	381.2593	421.6837	620.2641	145.0035	223.3675	358.5049	201.4777	436.0546
Pyruvic acid	Pyruvic acid	0.0705	0.1233	0.0356	0.0645	0.0377	0.1256	0.2466	0.0063	0.4273	0.2535	0.4962	0.3548	0.2982	0.1164	0.0200	0.0437	0.4444	0.0819	0.5872	0.2835	0.2326	0.3543	0.2225	0.0469	0.0662	0.0739	0.0924	0.1504	0.0722	0.0794	0.5391	0.0779	0.2895	0.4952	0.5856	0.6008	5.3629	0.4722	0.1729	0.6279	0.6562	0.1517	0.1297	0.0846	0.3537	0.2741	0.5019	0.3827	0.4705	0.1022	0.2617	0.1159	0.2749	0.2558	0.3478	0.4593	0.0423	0.3058	0.1613	0.6531	0.9949
Ribose 5-phosphate	Ribose 5-phosphate	45.4065	37.6069	1.1733	3.5913	17.4963	19.2893	15.1247	9.4052	18.1328	35.4596	13.0923	10.0313	8.7805	4.6941	0.6552	2.0787	1.7577	1.0150	9.9764	7.5626	7.1394	4.6603	1.7741	1.0233	0.3714	1.0901	1.8834	2.9699	2.4119	3.4804	5.3478	4.0074	6.2488	4.9722	2.1346	2.2516	49.0674	12.2078	12.1382	27.5446	7.1853	7.1384	6.0728	2.2294	15.2957	14.9377	27.6688	14.8810	16.8430	6.2483	13.3789	16.2151	18.1151	12.9513	10.3327	2.2120	7.2002	6.6054	15.8924	22.7171	6.7357
Ribulose-5-phosphate	Ribulose 5-phosphate	52.7745	43.3781	0.4357	3.7759	14.5028	17.9489	12.1171	7.7734	13.2677	20.0145	10.8828	9.9337	6.8014	6.0205	0.2840	1.6543	1.3224	0.5900	9.7223	5.1271	6.4622	4.3242	1.7240	1.8713	0.2776	1.7009	1.0845	1.1772	1.1614	1.9946	3.2464	1.8874	4.6884	4.8958	2.3018	1.8382	1.9844	8.1685	5.7783	17.7602	4.8605	4.3981	3.8129	0.8004	8.2045	7.0958	21.7812	8.9590	8.8134	5.1236	6.9256	6.0650	12.6224	10.1242	5.0681	1.7657	2.7718	4.5959	6.8505	6.4367	3.8351
Sedoheptulose-7-phosphate	Sedoheptulose 7-phosphate	14.3189	11.2335	1.0732	1.5978	2.8270	2.9165	2.5416	1.6208	2.0022	7.2074	5.9283	2.9089	2.2065	1.1684	0.8922	3.7640	0.5416	0.6601	2.9388	2.9470	2.6572	2.0573	0.4684	1.0686	0.2826	1.9182	0.8310	0.9106	0.8978	2.3687	1.1807	0.5892	4.3843	3.2457	1.3865	1.4534	8.6271	19.3711	12.8187	13.2751	3.3640	3.2581	3.3410	2.2263	16.5513	14.6467	19.2847	8.6761	4.8377	5.1944	10.0218	11.1060	10.4150	10.0991	5.6582	0.5878	4.0939	6.2018	11.3074	13.0590	2.7481
Serine	Serine	0.8229	1.1645	0.3210	0.2410	0.2339	0.2662	0.2921	0.4043	0.1693	0.6928	0.8572	0.3562	0.6575	0.2233	0.3355	0.5220	0.5019	0.3947	0.3094	0.3954	0.4355	0.2859	0.3712	0.4632	0.3373	0.6334	0.5196	0.3960	0.3286	0.5384	0.5289	0.7268	1.0431	1.3284	2.1404	2.1795	3.2731	0.6883	1.0817	1.3355	0.6644	0.4012	0.9752	0.5990	1.2499	1.7910	1.2856	1.7235	1.8956	0.7394	1.1434	1.2568	0.9061	1.3275	1.8062	0.5830	0.9351	1.0553	2.2215	7.1789	3.0316
Threonine	Threonine	1.2074	1.0973	0.5346	0.5541	0.4217	0.3781	0.3732	0.6174	0.3162	0.7383	0.9364	0.6848	0.8162	0.4352	0.1931	1.3063	0.3741	0.7261	0.6273	0.5511	0.5555	0.4986	0.8029	0.7518	1.5321	1.0670	0.6152	1.2358	1.0380	1.2221	0.7144	1.0342	1.2993	1.9834	2.8366	3.5282	2.6976	0.8984	1.5277	2.0592	0.9748	0.5350	1.4959	0.7757	1.8378	2.6283	1.9168	2.5830	3.0256	1.3461	1.2821	1.5626	1.4580	1.9624	2.7047	0.9772	1.8434	2.1075	3.2241	9.4665	5.0821
trans-4-Hydroxy-L-proline	trans-4-Hydroxyproline	0.1168	0.0967	0.0719	0.0719	0.1199	0.0536	0.0968	0.0563	0.0421	0.0065	0.1422	0.1552	0.1029	0.1127	0.0280	0.0864	0.0211	0.1183	0.0461	0.0695	0.0864	0.0831	0.1245	0.1160	0.0708	0.1079	0.0386	0.0440	0.0644	0.0565	0.0691	0.1171	0.0890	0.2226	0.2496	0.1540	0.5245	0.0483	0.1315	0.2051	0.1577	0.0573	0.1132	0.0187	0.1518	0.2298	0.1494	0.1672	0.2447	0.0523	0.1300	0.1005	0.1394	0.1357	0.2538	0.0568	0.0952	0.1371	0.1655	0.3233	0.2804
trans-Aconitic acid	trans-Aconitic acid	0.2176	0.1764	0.5087	8.0044	0.1324	0.2272	0.2678	0.3353	0.6082	2.9514	0.0847	0.4897	1.2590	0.1460	0.2075	0.0444	0.2448	0.0816	0.1763	0.1206	0.6908	0.4637	0.2259	0.1527	1.3378	0.1465	0.2203	0.1841	3.2616	7.1162	0.0953	2.2026	0.1929	0.1390	0.2358	0.1191	18.8291	0.2266	0.2460	0.3311	0.5969	0.8667	1.7500	0.6804	1.3913	1.6669	0.6426	0.0017	0.1503	0.0504	0.2559	0.5328	0.7692	1.2603	0.1667	0.0656	0.0923	3.2280	0.1961	4.3813	0.1743
Tryptophan	Tryptophan	11.7560	6.9508	2.5126	8.9465	2.1791	1.8353	2.4448	2.6218	1.3316	2.6251	3.2949	3.5156	3.8852	2.7715	3.5269	4.8405	2.0693	3.0728	1.8385	2.0515	2.9737	2.7043	3.3255	3.7321	5.4750	4.0324	2.7696	4.1659	4.5642	4.0991	2.8367	4.2885	6.9319	10.2369	17.9477	18.4811	10.2833	3.3174	6.3876	11.7175	5.9431	2.2608	5.4736	3.7866	5.9908	12.4523	10.5828	13.3754	12.3231	5.3167	5.2007	7.9114	5.4947	11.3363	12.4896	3.6244	5.8571	8.9593	11.9451	38.1203	33.3751
Tyrosine	Tyrosine	9.3569	8.2014	3.1759	4.9131	3.0175	4.1938	3.8567	4.2601	2.4523	2.8963	5.0450	4.7504	5.3302	5.2320	2.9535	6.7194	2.8717	4.1461	3.8651	3.7949	6.3242	5.6789	6.7029	4.8898	6.2960	5.3079	3.1647	6.2479	7.4377	5.7533	4.5132	5.8955	8.3126	12.1019	14.2180	15.5045	4.3874	4.0186	6.9102	9.8446	6.0462	3.4703	6.8754	3.8624	7.9440	12.2151	9.6416	9.6916	13.8764	8.2054	6.0814	7.9301	5.9459	9.5742	13.2574	4.2493	7.7879	9.9814	9.1926	13.1498	22.0673
Uracil	Uracil	2.5171	1.9878	1.2903	0.3550	1.1940	1.0472	0.6195	0.4243	0.3027	0.8250	4.8017	1.6551	1.4288	0.2131	0.1846	0.7720	0.2006	0.9595	0.2978	0.2056	0.2698	0.2158	0.2281	0.3521	0.1934	0.1114	0.1373	0.1763	0.1729	0.3117	0.0644	0.0488	0.9343	1.5218	3.1845	2.8382	0.4817	0.4456	0.7899	2.4814	0.9846	0.2623	0.0813	0.1829	0.5913	0.8996	2.1489	2.6141	0.9805	0.3988	0.6203	0.7545	1.1454	1.8403	0.6423	0.3728	0.3111	0.5376	0.3907	2.7983	5.3326
Xanthine	Xanthine	4.4539	3.5092	3.6576	3.5718	2.9045	4.4469	2.8355	3.3645	2.8550	2.2537	9.8706	4.2826	4.7582	3.1657	5.3682	7.1862	1.7526	2.6687	2.4807	1.6197	2.7532	3.0161	3.5003	2.7622	2.6416	4.6077	2.5669	2.8064	2.2296	2.2694	2.2581	2.3035	2.6934	2.9206	3.4943	3.9787	2.3077	1.1931	0.9322	1.5473	1.1343	1.2703	2.7040	2.7722	2.2291	1.5109	1.2191	1.3036	2.9371	6.5929	1.3593	1.3742	1.0538	2.0266	2.8835	1.4233	2.2034	2.2736	1.4587	0.8814	2.4265
Xylulose-5-phosphate	Xylulose 5-phosphate	52.8782	45.7643	0.0863	3.3628	15.8066	17.8656	12.2324	7.1634	16.2702	19.6512	11.5821	9.7843	7.3578	4.7743	0.5673	2.1598	1.0634	0.0643	8.2549	5.7218	4.2977	3.8449	0.1579	0.0264	0.0188	2.5303	0.4483	1.0766	0.7806	0.9825	2.7923	1.9289	3.7990	4.1412	1.5125	1.4054	0.8378	7.7433	5.1273	20.0650	5.5953	3.8104	3.1473	0.1066	7.3595	4.6982	23.7609	9.2233	8.9503	2.0109	4.8685	5.2494	15.0840	10.3831	4.5188	1.3450	2.5089	1.9618	8.2099	5.2794	3.2174