metabolite_name	NTB_1p	NTB_2p	NTB_3p	NTB_4p	NTB_5p	NTB_6p	TB_1p	TB_2p	TB_3p	TB_4p	TB_5p	TB_6p	5FU_1p	5FU_2p	5FU_3p	5FU_4p	5FU_5p	5FU_6p	BST100_1p	BST100_2p	BST100_3p	BST100_4p	BST100_5p	BST100_6p	BST200_1p	BST200_2p	BST200_3p	BST200_4p	BST200_5p	BST200_6p	NTB_1m	NTB_2m	NTB_3m	NTB_4m	NTB_5m	NTB_6m	TB_1m	TB_2m	TB_3m	TB_4m	TB_5m	TB_6m	5FU_1m	5FU_2m	5FU_3m	5FU_4m	5FU_5m	5FU_6m	BST100_1m	BST100_2m	BST100_3m	BST100_4m	BST100_5m	BST100_6m	BST200_1m	BST200_2m	BST200_3m	BST200_4m	BST200_5m	BST200_6m
L-Alanine	734	713	406	768	397	434	476	360	405	505	377	575	444	418	369	210	265	278	483	277	222	507	688	633	478	403	642	569	532	773	34.3	45.5	18.1	34.3	24	13.6	13.3	17	19.6	21.4	20.1	19.2	29.1	28.8	24.5	21.7	27	22.6	19.2	17.3	19.2	23.6	18.7	19.9	17.1	24.7	34.8	17.6	21.6	20.7
L-Arginine	24	31	29.4	24.6	29.2	30.6	49.1	42.4	38.6	50.4	33.5	44.5	43.5	41.5	31.2	41.9	19.6	24	30.8	19.1	25.3	24.7	45.3	31.9	20.6	27.85	44.7	29.3	21.6	39.9	2.9	3.4	0.6	0.9	0.9	0.7	2.3	1.8	1.9	1.5	1.6	1.9	1.6	1.1	2.1	1.7	1.8	1.3	1.4	2.5	2.5	1.4	1	1.2	2.9	1.8	2.6	2.4	1.7	1.5
D-Asparagine	113	102	77.2	75.5	99.7	64.3	101	88	72.2	84.9	68.1	100	107.5	158	106	108	95.1	71.5	90	80.7	50.2	53.7	59.7	65.2	70.4	72.9	70.55	72	91.9	77.2	3.4	5.7	1.5	2.9	2.8	1.3	2	2.1	1.5	1.7	1.7	1.5	4.5	4.4	2.9	3.2	3.6	3.1	2.8	1.3	2.1	3.5	2.5	1.6	3.4	3.1	3	3.1	2.8	1.5
L-Aspartic acid	7.76	9	6.01	7.37	8.14	6.87	17	17.7	17.8	16.4	21.5	15.8	12.55	17.9	11.9	19.8	10.7	19.1	11.9	4.86	6.39	10.2	16.9	17.3	9.35	12.75	13.7	11.6	15.8	13.1	4.4	5	1.1	3.2	4.1	2.2	2.2	2.1	1.8	1.8	2	1.9	3.4	1.9	3.6	3.1	3.4	2.6	3.2	1.9	2.3	2.7	3.1	2.6	4	3.2	2.4	4.6	3.3	2.3
L-Glutamine	337	360	323	319	346	436	410	447	363	418	457	413	418	372	357	336	394	356	352	285	350	322	474	313	338	508	552	288	472	404	59.3	52.3	43.9	85	53.4	48.9	48.8	50.8	40.3	48.2	46.2	46.8	77.2	68.4	39.3	31	68	66.5	37.1	35.1	38.7	38.9	29.9	49.7	61.4	109	55.8	46	55.4	88
Glycine	70.9	125	53.8	82.4	103	49.4	83.5	92.8	91.3	84	129	87.4	64.6	81.2	82.3	43.9	62.6	33.9	87.4	26.5	37.2	14.4	56.2	30.1	36.1	70.3	78.25	70.1	58	56.8	207	153.2	98.2	101	115.3	61.1	41.9	49.6	16.6	35.3	39.3	41.3	34.4	19.8	64.4	21.1	37.4	39	16.3	31.5	54	22.5	16.7	73.8	37.2	30.9	25.6	23.9	40	35.3
Histamine	0.0422	0.111	0.0484	0.0477	0.0586	0.0593	0.0604	0.0509	0.0538	0.0529	0.0625	0.0479	0.0788	0.0728	0.102	0.0861	0.0608	0.0878	0.0405	0.0301	0.0421	0.0338	0.0424	0.0211	0.0571	0.05115	0.0413	0.0294	0.0497	0.0789	0.2	0.3	0.3	0.2	0.2	0.2	0.2	0.2	0.2	0.3	0.3	0.2	0.2	0.4	0.2	0.4	0.3	0.3	0.2	0.2	0.4	0.3	0.4	0.3	0.3	0.4	0.3	0.4	0.4	0.3
L-Histidine	51.6	58.7	72.8	57	46.8	57.9	43.9	58	55.7	45.4	55.8	48.2	87.15	94.4	69	36.6	59.8	36.7	44.5	72.1	56.5	52.9	36	32.3	55.5	45.7	51.2	36.7	58.9	56.3	6.1	7.4	3.4	5.6	4.8	3.5	3.4	3.6	4.5	4.3	4.4	4.1	5.3	5.7	6.1	7.1	6.7	5.7	4.9	4.8	4.3	5.4	5.5	4.8	4.1	6.5	6.9	6.3	7.2	5.9
L-Isoleucine	437	540	490	419	422	467	490	414	505	452	414	525	455	368	584	384	430	465	563	578	419	291	572	314	378	347	355	313	349	449	1.7	2.3	1	2	2.3	1.7	1.1	1.2	1.2	1.4	1.5	2.2	3.4	2.8	2.2	3.5	4.2	3.8	1.3	0.8	1.5	2.7	2	1.1	2.4	2.2	1.5	2.2	2.4	1.3
L-Kynurenine	1.44	1.92	1.5	1.46	1.75	1.76	1.47	2.04	2.11	1.93	1.88	2.48	4.38	2.315	3.63	2.49	2.96	4.29	2.37	2.56	1.89	1.88	3.9	2.3	2.31	2.43	1.885	2.37	2.43	1.65	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Leucine	1160	940	1160	1220	833	1180	905	801	963	920	1190	913	1190	791	1360	892	1420	1320	1130	1490	1030	580	1370	1010	719	677	986	765	641	909	3.6	4.8	2.9	3.9	4.9	3.3	2.5	2.5	2.7	2.7	3.4	3.8	7.9	5.8	5	7.7	9	8.5	3.2	1.7	3.5	5.5	4.9	2.5	6.4	5.4	3.1	5.2	5.5	3.9
L-Methionine	3590	4640	5500	3870	3230	4130	4680	2380	3770	3300	3900	4980	2680	2305	2680	2630	2210	2490	4230	3880	2080	2580	2210	3350	2750	2535	3440	3030	3160	2840	74.4	101.6	61.8	129.3	82.5	66.1	37.5	46.8	38.9	63.6	57.2	66.8	93.4	63.8	76.8	139.2	144.1	203.3	44.2	41.8	67.7	96.1	114.3	112.8	68.3	54.1	32.4	124.2	149.2	108
Methionine sulfoxide	1240	1430	897	564	786	935	1580	885	1240	730	1680	972	2930	1300	2380	2540	1170	2040	1570	1760	635	544	362	1190	1100	1161	976	650	1420	1390	17.1	30	20.5	17.6	26.4	13.4	16	15.8	14	15.8	18.7	30.4	72.8	36.6	58.8	50	49.3	75	16	14.5	19	29.6	24.8	40.3	22.7	12.2	10	24.6	46.3	26
L-Proline	12.8	12.4	7.43	17.5	17.2	9.57	16.3	10.4	14.2	16.7	21	18.8	21.1	14.4	14.8	15.4	8.56	12.5	22.3	17.5	5.16	9.86	24.2	17.4	10.4	17.4	19.7	14.3	11.5	18.9	7.7	5.9	4.6	5.8	4.1	4.1	2.8	4.2	2.1	3.9	4.1	4.2	5.9	4.6	6	4	8.7	9.3	2.4	4	5.5	2.1	3.9	3.9	7.1	3	4.3	4.3	4.4	7.6
L-Phenylalanine	193	165	177	148	124	164	171	142	147	150	119	192	162.5	297	239	182	169	224	208	92.8	153	81	203	121	159	129	129	152	109	166	0.8	0.9	0.8	0.9	1.1	0.7	0.6	0.8	0.7	0.6	0.7	1	1.6	1.3	1.4	2.1	2.1	2.1	0.8	0.6	0.7	1.2	1.1	0.7	1.1	1.1	0.8	1.3	1.4	1.3
L-Serine	87.2	113	96.2	67.8	79.2	54.7	71.6	67.9	68.5	65.5	62.9	61.5	106	84.8	87.4	109	47	49.1	106	74.7	59.9	67.3	52.6	69.8	74.9	81.4	116.45	73.2	62.8	63.7	5.9	9.5	7.8	10.6	6.4	5.8	4.2	5.1	4.3	4.4	5.4	5.2	4.7	5.2	8.4	6.3	7.7	6.5	4.1	4.2	7.3	7.6	7	5.8	5.1	4.7	6.8	9	8.4	6.7
4-Hydroxyproline	5.64	7.59	4.35	6.77	6.08	5.2	6.87	6.96	8.42	5.75	6.82	5.7	2.95	2.345	2.38	3.8	1.49	2.86	5.22	5.96	3.69	3.13	5.22	6.55	3.24	5.32	5.41	3.74	4.36	5.2	4	5.8	2.2	3.3	3	2.3	2.7	1.5	1.6	3	2.2	2.3	0.2	0.4	0.4	0.6	0.2	0.3	1.7	1.9	0.6	0.6	0.4	2.3	1.7	0.9	2.3	0.8	1.4	0.8
L-Threonine	150	150	103	141	123	133	104	111	114	122	149	145	196	186	185	131	142	116	160	149	54	84.2	102	113	120	108.75	132	117	127	156	13	16.5	6.5	10.2	7.8	5.3	6	5.7	6.6	5.3	6.4	5.2	10.1	9	9.6	9.9	10.4	9.4	7.7	8.9	7.2	9.3	7.2	6	9.5	7.5	9.6	8.9	9.3	8
Tryptophan	112	179	119	191	171	229	104	106	107	133	108	174	81.5	105.65	111	109	129	97.7	99.2	124	106	174	141	131	125	144	135.5	145	142	148	1.4	1.7	1.4	1.1	1.1	1.2	1.2	1.1	1.4	1.7	1.4	1.4	1.5	2	1.4	1.9	1.7	1.6	1.4	1.3	1.2	1.6	2.1	1.3	1.5	1.5	1.4	1.9	1.5	2
L-Tyrosine	32.6	32.1	41.2	30.6	34.4	25.6	15.7	13.2	21.1	21.2	13.3	17	19.95	30.2	27.8	19.1	10.5	9.16	17.6	16.7	10.1	7.92	9.75	15.6	12.2	15.35	11.6	12.9	13.4	14	4.6	5.4	1.5	3.4	2.5	1.6	1.3	1.2	1.6	1.2	1	1.6	2.6	1.8	2.2	2.5	2.3	2	1.4	1.4	1.7	1.4	1.9	1.9	1.9	2.1	2.2	2.2	1.9	1.3
L-Valine	3590	2870	3010	2430	2340	2860	2050	2680	2190	2680	2600	2260	3000	1980	2350	2350	2320	3210	3210	1600	2590	1480	3330	2440	1810	2380	2150	1570	2350	2330	10	12.1	8.4	12	12.9	8.9	5.1	7.4	5.6	6.8	7.9	13.3	18.2	12.1	12	17.2	20.9	26.2	7.1	4.2	8.4	13.4	10.5	6.8	11.2	7.9	8.4	11.7	14.2	11.9

metabolite_name	KEGG ID	Pubchem ID
L-Alanine	C00041	5950
L-Arginine	C00062	6322
D-Asparagine	C01905	439600
L-Aspartic acid	C00049	5960
L-Glutamine	C00064	5961
Glycine	C00037	750
Histamine	C00388	774
L-Histidine	C00135	6274
L-Isoleucine	C00407	6306
L-Kynurenine	C00328	161166
L-Leucine	C00123	6106
L-Methionine	C00073	6137
Methionine sulfoxide	C02989	847
L-Proline	C00148	145742
L-Phenylalanine	C00079	6140
L-Serine	C00065	5951
4-Hydroxyproline	C01157	5810
L-Threonine	C00188	6288
Tryptophan	C00806	1148
L-Tyrosine	C00082	6057
L-Valine	C00183	6287