Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002470)

(Analysis AN004029)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10
S-Methylcysteine S-oxide	ME583182	0.27	0.55	0.29	0.23	0.18	0.29	0.22	29.30	0.45	0.27
Adenosine	ME582990	0.37	0.66	0.56	0.63	0.35	0.63	0.70	16.08	0.65	1.63
Phe-Phe	ME583166	1.52	0.80	0.45	0.27	0.15	0.59	0.27	13.77	0.81	2.29
Val-Arg/Val-Arg	ME583203	1.33	0.93	0.23	0.28	0.13	0.62	0.22	13.75	0.45	2.08
Lys-Gly	ME583114	0.43	0.69	0.45	0.52	0.46	0.54	0.49	5.19	0.36	13.91
Histamine	ME583074	0.97	0.95	1.00	0.51	0.54	0.72	0.30	0.93	0.85	9.22
Leu-Phe	ME583087	0.68	0.73	0.83	0.77	0.58	0.50	0.68	2.29	0.96	12.22
(E,E)-Trichostachine_a	ME582971	0.56	0.34	0.86	0.42	0.40	1.04	1.80	3.50	11.44	NA
(E,E)-Trichostachine_b	ME582972	0.50	0.18	0.92	0.25	0.22	1.32	2.43	1.77	5.59	NA
Mesalamine	ME583115	0.00	0.00	2.75	0.17	0.02	0.32	0.48	0.00	7.55	0.01
Acetaminophen	ME582988	2.22	1.91	0.13	0.04	0.09	0.19	0.24	0.06	0.06	6.40
p-Acetamidophenylglucuronide	ME583224	7.50	2.00	0.07	0.01	0.03	0.07	0.15	NA	NA	4.74
Phe-Trp	ME583167	1.24	0.88	0.65	0.51	0.64	0.75	0.76	9.42	0.79	0.63
Tetradecylamine	ME583190	2.49	0.25	0.80	0.04	0.13	1.26	0.12	7.96	0.80	3.46
Phe-Ile	ME583163	1.18	0.88	0.87	0.53	0.57	0.75	0.62	7.37	0.34	2.20
Pro-Ala/Ala-Pro	ME583170	0.55	0.96	1.07	0.43	0.46	0.59	1.11	6.42	0.30	2.10
2-Aminobenzoic acid	ME582978	3.26	1.24	0.46	0.16	4.16	0.02	0.05	0.01	0.01	0.13
alpha-Tocopherol	ME582995	0.86	0.93	0.93	0.89	5.52	0.82	0.91	0.91	0.53	1.10
Solanidine	ME583184	0.64	0.49	0.90	0.28	4.82	1.94	0.72	0.25	1.30	0.63
C16 Sphingosine	ME583004	0.23	0.37	0.47	0.31	0.34	0.31	5.64	0.18	0.20	0.17
N-Methyl-proline	ME583143	0.37	0.50	0.94	0.56	1.47	0.54	3.67	0.70	0.86	0.05
Metronidazole	ME583219	0.00	2.62	0.00	0.00	0.00	1.85	0.00	0.00	0.00	0.01
Ala-Ala	ME582992	0.52	1.97	0.61	0.43	0.56	0.41	0.48	1.01	0.28	4.56
Niacinamide	ME583221	0.72	0.78	1.92	0.36	0.39	0.50	0.44	0.91	0.67	5.61
Ile-Trp	ME583078	0.63	1.08	0.92	0.58	0.62	0.76	0.70	3.51	0.86	5.02
Serotonin	ME583177	1.05	0.98	0.29	0.37	0.43	0.86	1.90	3.08	0.31	3.48
Gly-Arg	ME583067	0.99	0.96	0.88	0.71	1.44	0.81	0.76	2.58	0.62	4.22
Aspartic acid	ME583000	0.80	1.34	0.81	0.53	0.90	0.63	0.68	2.63	0.93	3.50
Ile-Val	ME583079	0.75	1.07	1.05	0.61	0.53	0.76	0.93	2.68	0.36	3.30
Leu-Leu	ME583086	0.89	1.00	1.09	0.67	0.74	0.76	0.71	3.12	0.55	3.27
D-alpha-tocopherylquinone	ME583051	0.99	1.07	0.94	0.44	1.55	0.76	0.66	2.51	1.87	2.44
Urocanic acid	ME583202	1.15	0.85	1.06	0.44	0.38	0.82	0.82	1.40	2.25	3.87
Lenticin	ME583084	0.84	0.67	1.30	2.01	1.55	0.86	0.80	0.92	1.03	2.45
Agmatine	ME582991	0.75	0.85	1.63	0.69	0.44	0.72	0.67	1.07	0.78	3.53
Cer 18:1;O2/18:1	ME583037	0.82	1.23	0.82	0.73	0.49	0.75	1.10	1.35	0.67	3.00
PE 36:4	ME583246	0.92	0.99	1.00	0.74	0.80	0.94	0.97	1.16	0.95	2.70
CAR DC3:0;2Me	ME583029	1.00	1.05	1.27	0.47	1.16	0.74	0.57	0.91	0.87	3.35
N-Acetylisoputreanine	ME583136	1.00	1.26	0.94	0.80	1.47	0.57	0.73	1.00	0.72	3.08
3-(N-Acetyl-L-cystein-S-yl) acetaminophen	ME582979	2.40	2.35	0.06	0.09	0.04	0.08	0.20	NA	0.00	2.33
Hippuric acid	ME583229	3.72	0.80	0.50	0.36	0.39	1.19	0.27	0.08	0.29	0.57
Monoethylglycinexylidide	ME583120	2.42	1.68	0.00	0.00	0.06	0.00	0.00	NA	0.27	NA
CAR 4:0;OH	ME583024	3.02	1.79	0.32	0.14	0.24	0.19	0.29	0.51	0.55	0.57
Diethanolamine	ME583058	2.55	1.40	0.55	0.46	0.66	0.53	0.56	0.69	0.43	0.51
Caffeine	ME583009	0.64	0.54	0.58	0.68	1.48	2.18	1.18	2.13	2.53	0.40
Glycocholic acid	ME583070	0.07	0.62	0.90	1.23	2.16	1.37	1.26	2.38	3.93	0.91
Anserine	ME582997	0.03	0.08	2.64	0.01	0.09	0.70	0.76	0.06	0.48	0.30
N1-Acetylspermidine	ME583125	0.91	1.57	0.55	0.60	1.07	0.72	0.73	3.16	0.62	1.00
LPE P-18:0 or LPE O-18:1	ME583113	0.64	0.73	0.92	0.81	0.96	1.27	1.34	3.38	0.52	1.52
sn-Glycero-3-phosphocholine	ME583183	0.65	0.99	0.99	0.85	0.94	1.08	0.92	3.58	0.27	1.40
Glutamic acid	ME583065	0.85	1.14	0.83	0.82	1.07	0.85	0.87	4.10	0.64	0.96
LPC 20:1	ME583096	0.72	0.76	1.21	1.02	1.13	0.96	1.12	4.24	0.30	0.31
LPC 20:3_a	ME583097	0.66	0.66	1.19	0.88	0.98	1.28	1.02	4.00	0.72	0.51
Cortisone	ME583213	0.11	0.10	0.98	1.48	0.10	1.95	2.41	2.25	0.16	1.57
N-acetyl-5-Aminosalicylic acid	ME583130	0.02	0.01	1.87	2.05	0.75	1.75	1.51	0.26	1.75	0.00
N1,N12-Diacetylspermine	ME583124	0.32	2.13	0.26	0.79	1.08	0.49	0.98	1.58	0.06	1.88
Cryptoxanthin	ME583049	0.85	0.47	1.53	0.71	0.36	1.09	1.04	1.71	2.70	1.28
Inosine	ME583081	0.89	1.40	0.62	0.47	0.33	0.62	1.17	1.13	3.30	1.20
C20 Sphingosine	ME583007	0.63	0.87	1.43	1.98	0.79	0.89	1.14	0.24	0.30	0.24
4-Guanidinobutanoic acid	ME583209	1.37	0.93	0.81	0.76	1.58	1.00	1.37	0.98	0.61	0.18
C22 Sphingosine	ME583008	0.91	1.01	0.88	1.29	1.37	1.09	1.38	0.22	0.28	0.28
Allantoin	ME583211	0.45	1.11	0.90	1.23	2.20	1.23	1.04	0.67	0.54	0.25
N(6)-Methyllysine	ME583123	1.19	0.94	0.79	1.13	2.85	1.11	0.92	0.71	0.65	0.86
Trimethylamine N-oxide	ME583231	1.33	0.50	1.13	0.89	1.37	1.06	1.59	0.07	1.50	0.81
Glycodeoxycholic acid	ME583071	0.17	0.36	1.50	1.35	1.39	1.67	1.13	1.47	1.87	0.46
2-Aminooctanoic acid	ME583223	0.92	0.63	1.38	1.15	2.10	1.03	0.95	0.81	1.63	0.59
CAR 9:0	ME583028	0.78	0.62	1.22	0.83	2.15	1.31	0.97	0.88	2.16	0.81
Glu-Ile	ME583064	0.84	0.91	0.87	0.74	0.63	1.32	0.86	2.66	1.49	1.20
tridecylamine	ME583195	1.04	0.82	1.09	0.63	0.56	1.27	0.69	2.26	1.34	1.47
N-Acetylglutamic acid	ME583134	0.71	0.83	1.08	0.80	1.29	1.10	1.02	2.66	1.50	0.87
Pro-Gly	ME583171	0.56	0.92	1.24	0.73	0.77	0.98	1.08	2.19	1.51	0.79
LPC O-18:0	ME583100	0.83	0.71	1.03	0.76	0.77	1.38	1.02	2.50	0.51	1.91
Pantothenic acid	ME583148	0.88	1.09	1.03	0.97	0.63	0.78	0.92	2.07	0.91	1.59
Choline	ME583044	0.85	1.03	0.89	0.88	1.06	1.07	0.92	2.37	0.92	1.20
Hypotaurine	ME583217	0.74	0.80	0.91	1.00	1.29	1.31	1.13	2.10	0.93	1.24
LPC O-16:0	ME583099	0.70	0.66	1.16	0.84	0.85	1.42	1.14	2.31	0.55	0.97
LPC P-18:0 or LPC O-18:1	ME583102	0.79	0.88	1.06	1.02	1.12	1.06	1.14	2.13	0.48	1.08
7-Methylxanthine	ME583210	0.25	0.32	1.57	1.32	0.56	1.32	1.44	2.14	0.53	0.51
Theobromine	ME583191	0.29	0.35	1.35	1.51	1.22	1.38	1.68	2.10	0.54	0.86
LPC P-16:0 or LPC O-16:1	ME583101	0.76	0.61	1.10	0.89	1.04	1.41	1.23	3.06	0.53	0.42
LPC(P-18:0)/LPC(O-18:1)_B	ME583103	0.65	0.54	1.09	0.86	0.97	1.60	1.37	2.48	0.51	0.50
13-cis-Retinoic acid	ME582973	0.60	0.40	0.69	0.51	0.74	1.71	1.52	2.20	0.44	1.06
4-Pyridoxic acid	ME582984	0.63	0.55	1.08	0.93	0.40	2.01	0.89	2.04	0.90	0.83
LPC 14:0	ME583089	0.50	0.36	1.26	0.82	0.81	1.96	1.23	2.04	0.92	0.50
CAR 7:0	ME583226	1.46	1.06	0.78	0.70	1.06	0.85	0.98	1.07	2.04	0.64
1-Methyl nicotinamide	ME582974	1.16	1.53	0.76	0.51	0.70	0.75	0.66	0.64	1.53	0.71
DG 34:2	ME583053	1.91	1.24	0.76	0.36	0.31	0.72	0.59	0.66	1.93	1.29
DG 34:1	ME583052	1.80	1.19	0.85	0.46	0.43	0.74	0.68	0.96	1.54	0.84
DG 36:4	ME583056	2.03	1.24	0.81	0.43	0.34	0.65	0.57	0.92	1.51	0.81
CAR 6:0	ME583225	1.50	1.43	0.68	0.76	0.62	0.52	0.78	1.40	1.44	0.80
DG 36:3	ME583055	1.41	1.07	0.99	0.64	0.66	0.78	0.85	1.20	1.34	1.12
glycidyl linoleate	ME583068	1.54	1.04	0.95	0.60	0.52	0.87	0.80	1.23	1.36	1.08
Aminoisobutyric acid	ME582996	1.37	1.16	0.81	0.57	0.69	0.95	0.83	1.05	1.40	0.95
CAR 2:0	ME583020	1.40	1.27	0.75	0.69	0.79	0.70	0.91	1.15	1.27	0.96
Biliverdin	ME583003	1.83	0.97	0.84	0.47	0.94	0.94	0.76	0.82	1.33	1.47
Triethanolamine	ME583196	1.86	0.96	1.04	0.71	0.70	0.77	0.71	0.92	0.89	1.09
CAR 8:0	ME583027	1.26	1.27	0.91	1.08	0.82	0.49	0.84	1.59	1.44	0.76
CAR 10:0	ME583227	1.22	1.17	0.93	1.10	0.89	0.56	0.92	1.80	1.61	0.53
CAR 10:1	ME583010	1.30	1.22	0.94	0.89	0.67	0.62	0.75	1.81	1.59	0.61
CAR 12:0	ME583011	1.52	1.10	0.85	0.79	0.79	0.70	0.80	2.04	1.55	0.81
CAR 12:1	ME583012	1.67	1.30	0.77	0.74	0.59	0.45	0.72	2.24	1.48	0.79
Hypoxanthine	ME583077	0.86	1.35	0.81	0.66	0.70	0.72	0.81	1.79	1.74	1.61
myristoleate	ME583121	1.04	0.91	1.13	0.78	0.90	0.96	0.79	1.37	1.86	1.47
N-Acetylleucine	ME583137	2.22	0.65	1.00	0.51	0.51	0.76	1.09	1.55	0.74	1.01
CAR DC6:0	ME583031	2.21	1.75	0.45	0.29	0.50	0.38	0.31	1.24	0.54	1.06
CAR 14:1	ME583014	2.01	1.49	0.57	0.60	0.50	0.39	0.68	1.42	1.06	0.72
CAR 14:2	ME583015	2.01	1.40	0.62	0.56	0.41	0.46	0.63	1.87	1.27	0.70
LPE 18:3	ME583110	0.74	0.68	1.04	0.90	0.56	1.60	1.33	1.18	0.69	0.52
Retinol	ME583174	0.45	0.58	1.33	0.64	0.59	1.55	1.43	1.38	0.79	0.56
PE P-36:4 or PE O-36:5	ME583251	0.60	0.59	1.18	1.06	0.99	1.26	1.50	1.40	0.96	1.35
PE P-38:5 or PE O-38:6	ME583253	0.72	0.59	1.16	1.03	0.91	1.34	1.35	1.44	0.96	1.22
LPE 20:3	ME583112	0.88	0.68	1.00	0.81	0.76	1.41	1.33	1.47	1.13	0.79
CAR 26:0	ME583228	0.80	0.66	0.95	0.96	0.90	1.52	1.40	1.06	0.86	0.94
PC P-34:1 or PC O-34:2	ME583157	0.76	0.64	1.12	1.00	0.89	1.39	1.29	1.42	0.94	0.83
PC P-34:2 or PC O-34:3	ME583158	0.81	0.69	1.06	0.92	1.08	1.37	1.30	1.33	0.95	0.73
PC P-36:4 or PC O-36:5	ME583242	0.80	0.70	1.04	0.96	1.09	1.30	1.33	1.51	0.87	1.00
PC P-38:5 or PC O-38:6	ME583244	0.87	0.71	1.06	1.04	0.92	1.25	1.33	1.33	0.78	0.91
LPE 18:1	ME583108	0.81	0.75	1.05	1.03	1.03	1.27	1.35	1.26	0.84	0.48
PC P-38:6 or PC O-38:7	ME583243	0.87	0.69	1.05	1.24	1.06	1.22	1.38	1.38	0.71	0.76
3-Methylxanthine	ME582982	0.36	0.48	1.25	0.78	1.14	1.23	1.49	1.88	0.91	0.40
LPE 18:2	ME583109	0.64	0.64	1.06	1.01	1.16	1.52	1.29	1.44	1.29	0.45
LPC 18:2	ME583094	0.64	0.57	1.18	1.14	1.06	1.49	1.24	1.75	1.04	0.44
LPC 20:5	ME583232	0.65	0.58	1.16	1.10	1.01	1.55	1.22	1.70	0.99	0.45
PE P-34:2 or PE O-34:3	ME583161	0.51	0.40	1.15	1.06	1.23	1.64	1.55	1.82	1.15	0.53
PE P-36:2 or PE O-36:3	ME583162	0.64	0.53	1.10	1.13	1.21	1.49	1.37	1.81	1.11	0.69
Cystine	ME583214	0.96	1.03	0.79	1.05	0.64	1.10	1.08	1.88	1.26	0.83
Serine	ME583176	0.98	1.06	0.97	0.90	0.95	1.00	0.86	1.98	1.05	0.67
PC O-18:0 (C16-PAF)	ME583153	0.78	0.71	1.20	0.97	1.03	1.24	1.04	2.45	0.83	0.66
LPC 15:0	ME583090	0.89	0.54	1.23	0.85	1.04	1.51	1.02	2.26	0.87	0.45
LPE 20:0	ME583111	0.96	0.59	1.20	0.89	1.11	1.34	1.06	2.29	0.88	0.53
Ornithine	ME583146	0.83	0.76	1.12	1.13	0.89	1.32	0.93	1.70	1.06	0.86
LPC 20:4	ME583098	1.03	0.85	1.03	0.97	0.86	1.12	1.15	1.71	0.59	0.68
LPC 22:5	ME583235	1.03	0.84	1.03	0.91	0.79	1.19	1.06	1.85	0.67	0.69
LPC 16:1	ME583092	0.95	0.67	1.10	0.89	0.75	1.32	1.26	1.54	0.77	0.69
LPE 18:0	ME583107	0.96	0.86	1.03	0.77	0.75	1.22	1.07	1.63	0.87	0.85
LPE 17:0	ME583106	0.87	0.65	1.14	0.76	0.97	1.38	1.24	1.58	0.86	0.46
LPE 20:1	ME583237	0.98	0.56	1.14	0.92	0.87	1.42	1.25	1.80	0.90	0.46
LPC 16:0	ME583091	0.84	0.72	1.12	0.88	0.93	1.32	1.14	1.91	0.74	0.75
LPC 18:3	ME583095	0.83	0.71	1.12	0.85	0.90	1.36	1.14	1.99	0.75	0.72
LPC 18:1	ME583093	0.87	0.72	1.07	1.02	1.15	1.26	1.22	1.89	0.76	0.54
LPC 20:3_b	ME583233	0.77	0.66	1.20	1.01	1.14	1.26	1.19	1.99	0.74	0.59
Trigonelline	ME583197	1.04	0.42	1.33	1.05	0.82	1.38	1.40	1.46	0.41	0.10
Arginine	ME582998	1.03	0.80	1.03	0.95	0.98	1.04	1.39	1.45	1.01	0.24
Proline betaine	ME583173	0.81	0.82	1.16	0.91	1.11	0.61	1.93	1.49	0.73	0.05
5-Acetylamino-6-amino-3-methyluracil	ME582985	1.32	1.01	0.92	0.68	1.78	0.90	1.05	1.18	0.93	1.46
Acisoga	ME582989	1.12	1.29	0.72	1.06	1.61	0.70	0.99	0.78	1.11	0.97
Gly-Pro	ME583072	0.81	0.96	1.25	0.85	0.72	0.95	1.07	0.61	0.53	1.60
threosphingosine	ME583194	0.70	1.23	0.94	0.52	1.04	0.67	1.40	1.23	0.81	1.25
CAR DC5:0	ME583030	1.35	1.05	0.95	0.92	0.95	1.00	0.85	0.61	0.83	0.55
7-Methylguanine	ME582987	1.23	1.19	0.89	0.80	1.12	0.85	0.89	0.79	0.88	0.85
N-Acetylputrescine	ME583139	1.14	1.14	0.86	0.92	1.03	1.06	0.84	0.83	0.81	0.89
1-Methylguanine	ME582975	0.98	1.40	0.78	0.53	0.89	0.85	0.97	0.63	0.95	0.94
1-Methylguanosine	ME582976	1.02	1.41	0.76	0.51	0.80	0.86	0.95	0.66	1.00	0.96
LPE 22:6	ME583238	1.21	1.41	0.71	0.96	0.78	0.71	0.91	0.96	0.74	0.69
N2,N2-Dimethylguanosine	ME583127	1.17	1.31	0.80	0.73	0.90	0.83	0.83	1.05	0.96	0.90
1-Methylhistamine	ME582977	1.01	1.31	0.74	0.85	0.82	0.88	1.06	0.89	0.94	0.73
N-methylhistamine	ME583142	1.01	1.31	0.74	0.85	0.81	0.88	1.06	0.90	0.94	0.73
LPC 22:6	ME583234	1.09	1.10	0.95	1.08	0.87	0.93	1.00	1.15	0.54	0.48
CAR 18:1	ME583018	1.11	1.44	0.73	0.65	0.92	0.82	0.93	0.89	0.55	0.61
CAR 18:2	ME583019	1.04	1.40	0.79	0.59	0.74	0.97	0.87	0.94	0.51	0.50
CAR 16:0	ME583016	0.97	1.25	0.84	0.64	1.03	1.05	0.91	1.22	0.58	0.65
CAR 20:4	ME583021	0.87	1.42	0.80	0.43	0.77	1.04	0.80	1.39	0.49	0.66
1-Methyladenosine	ME583207	1.09	1.71	0.56	0.41	0.86	0.58	0.58	0.56	0.96	1.35
N4-Acetylcytidine	ME583220	1.20	1.54	0.83	0.52	0.58	0.62	0.73	1.05	0.63	0.98
PE 38:6	ME583248	1.25	1.30	0.88	0.88	0.64	0.69	0.83	0.73	0.90	1.34
PE 40:6	ME583250	1.34	1.42	0.80	0.81	0.61	0.64	0.73	0.62	1.08	1.15
DMGV	ME583215	0.47	1.09	0.98	1.25	1.07	1.01	1.15	0.70	1.14	1.41
Cer 18:1;O2/14:0	ME583033	0.58	0.69	1.22	0.76	0.75	1.47	1.16	0.69	1.26	1.46
PE 34:0	ME583245	0.75	0.56	1.06	0.99	1.01	1.58	1.30	0.90	1.39	1.05
C20 Sphinganine	ME583006	0.93	0.84	0.79	0.81	0.97	1.47	1.08	1.23	1.11	1.45
PE 36:2	ME583247	0.80	0.85	1.08	0.93	0.93	1.17	1.04	1.13	1.57	1.28
Cholestenone	ME583043	0.81	0.80	1.09	1.07	0.69	1.10	1.30	0.93	1.13	1.36
PC O-32:0	ME583154	0.90	0.81	1.06	0.99	0.77	1.18	1.14	1.10	1.10	1.30
SM 18:1;O2/14:0	ME583178	0.79	0.59	1.22	0.92	0.80	1.47	1.14	1.02	1.08	1.18
PC 34:3	ME583151	0.88	0.78	1.03	0.90	0.71	1.31	1.17	1.03	1.19	1.14
PC 34:4	ME583241	0.85	0.73	1.00	0.86	0.66	1.40	1.26	1.05	1.20	1.16
DG 38:5	ME583057	0.97	0.86	1.07	0.82	0.40	1.05	1.30	1.22	0.70	1.24
SM 18:1;O2/16:0	ME583179	0.86	0.89	1.02	1.02	0.87	1.09	1.13	1.26	0.87	1.51
SM 18:1;O2/16:1	ME583180	0.76	0.78	1.09	1.11	0.72	1.13	1.26	1.27	0.94	1.58
PE P-40:6 or PE O-40:7	ME583255	0.96	0.79	1.12	1.17	1.01	1.04	1.09	1.22	0.96	1.38
Cer 18:1;O2/24:1	ME583042	0.98	0.93	1.03	0.88	0.95	0.98	1.13	1.13	0.95	1.33
SM 18:1;O2/18:3	ME583181	0.96	0.96	0.99	0.95	0.99	1.04	1.04	1.18	0.95	1.32
Cer 18:1;O2/16:0	ME583034	0.81	1.20	0.90	0.82	0.88	0.91	1.02	1.07	0.80	1.63
Cer 18:1;O2/20:1	ME583039	0.85	1.07	0.96	0.81	0.90	0.88	1.16	1.01	0.79	1.79
PC 32:0	ME583149	0.86	0.97	0.96	0.95	0.90	1.02	1.14	1.05	0.92	1.81
SM 18:1;O2/18:0	ME583258	0.88	1.15	0.93	0.96	0.67	0.96	1.02	1.09	0.75	1.30
SM 18:1;O2/18:1	ME583257	0.82	1.03	0.98	1.04	0.61	0.95	1.14	1.20	0.78	1.60
D-N-Acetylgalactosamine	ME583061	0.88	1.16	1.08	0.69	0.92	0.79	0.82	1.41	1.22	1.47
PE 38:4	ME583249	1.22	1.17	0.87	0.72	0.71	0.79	0.89	1.03	1.18	1.74
N6-Acetyllysine	ME583128	0.99	0.92	1.10	0.84	0.78	1.09	0.93	0.85	1.05	1.41
3-Dehydroxycarnitine	ME582980	0.84	1.08	1.10	0.95	1.02	0.88	0.84	0.93	1.30	1.49
Creatine	ME583047	0.88	1.11	0.99	0.88	0.94	0.88	0.97	0.83	1.35	1.45
CAR 14:0	ME583013	1.10	0.98	0.90	0.50	1.14	1.38	0.84	1.21	0.81	0.71
CAR 18:0	ME583017	0.99	1.05	1.04	0.65	1.15	1.06	0.81	1.35	0.71	1.27
Dimethylglycine	ME583060	0.92	0.89	1.00	0.98	0.99	1.13	1.14	0.88	1.68	0.52
Tryptophan	ME583198	0.81	0.61	1.29	1.03	0.89	1.27	1.16	1.16	1.53	0.57
Tyrosine	ME583199	0.71	0.72	1.22	0.98	0.94	1.24	1.20	1.14	1.23	0.74
Ureidopropionic acid	ME583200	0.84	1.21	0.97	1.24	1.06	0.85	0.93	0.80	1.08	0.58
Guanidoacetic acid	ME583073	1.13	0.85	1.13	1.13	1.01	1.11	0.92	0.99	0.91	0.52
N-Acetylarginine	ME583131	0.98	0.71	1.27	1.02	1.20	1.17	1.02	1.05	1.11	0.55
Ribothymidine	ME583175	0.91	0.83	1.21	1.00	1.32	1.08	1.08	0.70	1.19	0.45
5-Amino-levulinic acid	ME582986	1.25	0.84	1.08	0.95	1.20	1.05	0.98	0.78	1.31	0.55
Hydroxyproline	ME583076	1.28	0.85	1.06	0.91	1.12	1.06	0.94	0.82	1.35	0.57
Methionine sulfoxide	ME583117	0.45	1.28	0.94	0.80	0.90	1.08	0.99	1.24	1.02	0.78
Glycine	ME583069	0.91	1.20	0.93	0.86	1.10	0.91	0.84	1.41	1.05	0.91
Xanthine	ME583206	0.90	1.35	0.86	1.00	1.13	0.76	0.84	1.35	0.87	0.83
N-Acetyl-D-galactosamine	ME583133	0.87	1.18	1.00	0.92	1.01	0.82	0.87	1.06	1.61	1.02
Oleoyl-EA	ME583145	1.05	1.09	0.97	0.88	0.80	0.92	0.88	1.15	1.52	0.84
Linoleoyl-EA	ME583088	1.13	1.11	0.97	0.90	0.71	0.89	0.87	0.95	1.41	0.87
Uric acid	ME583201	1.24	1.05	1.05	0.73	0.72	0.88	0.85	0.96	1.48	0.84
DG 36:2	ME583054	1.16	0.94	1.02	0.72	0.94	0.84	1.16	1.28	1.08	1.18
gamma-Aminobutyric acid	ME583063	0.98	1.15	0.92	0.84	0.68	0.96	1.00	1.24	0.96	0.71
LPE 20:4	ME583236	1.12	1.03	0.87	0.87	0.88	0.99	1.07	1.44	0.99	0.89
Methylguanidine	ME583118	1.09	1.14	1.07	0.67	0.61	0.96	0.77	1.02	0.94	0.92
Glutamine	ME583066	1.13	1.05	1.01	0.91	1.01	0.93	0.92	0.93	1.06	0.83
Symmetric dimethyl-arginine	ME583187	1.18	1.04	0.99	0.85	1.08	0.92	0.89	1.00	1.14	0.99
N-Lauroylglycine	ME583141	1.11	1.05	0.98	0.83	0.72	0.93	1.00	1.01	1.12	0.92
Creatinine	ME583048	1.12	1.14	0.99	0.84	0.80	0.91	0.79	0.95	1.08	1.03
Pseudouridine	ME583222	1.17	1.16	0.95	0.80	0.85	0.85	0.85	1.04	1.04	1.03
PC P-34:0 or PC O-34:1	ME583156	1.01	0.97	1.00	1.11	1.03	0.94	1.07	0.96	0.87	1.19
C17 Sphinganine	ME583005	0.99	0.99	0.98	1.02	1.06	1.01	1.01	1.04	1.02	1.08
Phenylalanine-d8 [iSTD]	ME583165	0.96	1.00	1.00	1.01	1.05	0.98	1.06	0.93	0.96	0.99
Valine-d8 [iSTD]	ME583205	0.99	0.99	0.98	1.03	1.04	1.01	1.05	0.95	0.99	1.00
Dimethylarginine	ME583059	1.01	0.99	0.98	0.96	1.29	0.99	1.02	1.09	0.96	0.93
N(6),N(6)-Dimethyl-lysine	ME583122	1.07	0.97	0.89	0.95	1.42	1.10	1.04	1.01	0.76	0.96
N-Acetylaspartic acid	ME583132	1.14	0.99	0.86	0.85	1.18	1.07	1.01	1.07	1.30	0.84
Betaine	ME583002	0.90	1.01	1.08	1.00	1.11	0.98	0.93	1.08	1.15	0.86
Carnitine	ME583032	0.96	1.00	1.01	0.98	0.93	1.02	0.95	1.07	1.37	0.93
O-ethyl-homoserine	ME583144	1.06	0.85	1.01	1.10	1.06	1.08	1.01	1.14	1.35	1.07
PC 36:2	ME583152	0.84	0.90	1.09	1.09	1.07	1.06	1.02	1.18	1.32	1.04
N-6-Trimethyllysine	ME583129	0.83	0.87	1.10	0.74	0.74	1.19	1.15	1.28	0.85	1.08
Phenylalanine	ME583164	0.76	0.91	1.12	0.96	0.83	1.12	1.07	1.19	1.02	1.05
Alanine	ME582993	0.72	0.91	1.08	1.01	1.02	1.20	1.03	1.34	0.97	0.81
beta-Alanine	ME583001	0.70	0.93	1.11	1.13	0.95	1.15	1.04	1.21	0.91	0.79
Asparagine	ME582999	0.90	0.91	1.06	0.91	0.98	1.17	0.96	1.34	1.15	0.77
Targinine	ME583188	1.06	0.87	1.03	0.91	1.03	1.13	0.99	1.30	1.09	0.90
Cer 18:1;O2/22:0	ME583040	0.83	0.87	0.98	1.06	1.08	1.23	1.16	1.05	1.27	0.62
Cer 18:1;O2/20:0	ME583038	0.79	0.97	0.97	1.00	1.08	1.17	1.12	0.91	1.10	0.71
Proline	ME583172	0.73	0.84	1.12	1.05	1.14	1.24	1.10	0.95	1.15	0.68
PC P-32:0 or PC O-32:1	ME583155	0.99	0.78	1.10	1.00	0.85	1.19	1.09	1.04	1.01	1.03
SM 18:1;O2/20:0	ME583259	0.93	0.80	1.09	1.05	0.77	1.19	1.13	0.92	1.19	0.94
PE P-38:6 or PE O-38:7	ME583252	0.97	0.77	1.09	1.16	0.97	1.16	1.15	1.08	0.90	0.85
4-Acetamidobutanoic acid	ME582983	0.94	0.88	1.03	1.04	0.94	1.19	1.13	0.82	0.84	0.67
SM 18:1;O2/22:0	ME583260	0.89	0.85	1.01	1.18	0.83	1.18	1.23	0.87	0.93	0.80
LPE 16:0	ME583104	1.01	0.83	1.01	0.79	0.81	1.32	1.08	1.25	0.80	0.69
Citrulline	ME583046	1.07	0.73	1.12	0.95	0.86	1.36	0.93	1.09	1.12	0.70
N-Acetylhistidine	ME583135	1.09	0.72	1.15	0.89	0.80	1.39	0.87	1.22	1.11	0.64
Cer 18:1;O2/24:0	ME583041	0.95	0.93	0.96	0.97	0.88	1.08	1.08	1.45	1.52	0.62
Threonine	ME583193	0.84	1.02	1.07	0.96	0.81	1.09	0.88	1.47	1.21	0.62
4-Aminohippuric acid	ME583208	1.11	0.82	1.00	0.76	0.63	1.33	0.96	1.07	1.53	0.71
Methionine	ME583116	0.77	1.04	1.01	0.61	0.80	1.16	0.94	1.37	1.36	1.05
Valine	ME583204	0.83	0.82	1.11	0.89	0.69	1.21	1.10	1.19	1.47	0.88
Isoleucine	ME583082	0.81	0.97	1.10	0.82	0.80	1.08	1.02	1.14	1.34	0.88
Leucine	ME583085	0.87	0.87	1.14	0.87	0.77	1.13	1.02	1.07	1.38	0.94
Histidine	ME583075	1.05	0.79	1.18	0.88	0.85	1.14	0.88	1.34	1.37	0.97
Lysine	ME583218	0.96	0.88	1.09	0.78	0.68	1.19	0.98	1.34	1.20	0.84
Palmitoyl-EA	ME583147	0.85	1.27	0.56	0.45	0.52	1.32	1.07	1.30	1.82	0.29
CAR 4:0	ME583023	0.87	0.81	0.94	0.73	0.72	1.37	1.02	1.52	2.35	0.75
PC 32:2	ME583240	0.62	0.46	1.17	0.97	0.73	1.70	1.22	1.22	1.84	0.99
CAR 3:0	ME583022	0.66	0.66	1.15	0.87	0.89	1.36	1.19	0.85	2.20	1.12
Cytosine	ME583050	0.72	0.82	0.99	0.79	0.62	1.29	1.32	0.67	2.23	0.66
Homoarginine	ME583216	1.47	0.61	1.28	0.95	0.96	1.18	0.87	0.80	1.19	0.40
N-Acetylornithine	ME583138	1.45	0.58	1.21	0.91	0.70	1.22	0.96	1.05	1.53	0.46
CAR 5:1	ME583026	1.06	0.61	1.23	0.68	0.68	1.46	0.94	0.86	2.11	0.45
Kynurenic acid	ME583083	1.26	0.78	1.21	0.55	0.47	1.18	0.92	0.85	1.97	0.19
Pipecolic acid	ME583168	0.70	0.98	0.97	0.94	0.56	1.50	0.88	0.78	1.51	0.45
CAR 5:0	ME583025	0.88	0.94	1.20	0.57	0.55	1.15	0.92	0.52	1.69	0.95
N1-Methyl-2-pyridone-5-carboxamide	ME583126	1.05	0.80	1.26	0.65	0.38	1.24	0.99	0.56	1.56	0.46
Stearamide	ME583186	1.02	0.78	0.94	0.54	0.45	1.71	0.66	1.39	1.55	1.52
Thiamine	ME583192	0.64	0.48	1.54	0.34	0.77	1.58	0.74	1.86	1.38	1.54
Choline phosphate	ME583045	0.52	1.18	0.97	1.03	1.33	0.91	0.97	0.87	0.87	2.27
PE 34:2	ME583159	0.80	0.86	0.99	0.67	0.77	1.23	1.03	1.18	1.53	2.21
PS P-36:1 or PS O-36:2	ME583256	0.72	0.79	0.99	1.01	0.82	1.37	1.08	1.34	0.95	1.78
PE P-34:1 or PE O-34:2	ME583160	0.70	0.72	1.03	0.89	1.14	1.24	1.27	1.50	0.83	2.14
PE P-38:4 or PE O-38:5	ME583254	0.72	0.67	1.12	0.97	0.98	1.20	1.29	1.52	0.96	1.84
Cer 18:1;O2/18:0	ME583036	0.81	1.42	0.74	0.80	0.75	0.79	0.92	1.33	0.61	1.86
Sphinganine	ME583185	0.65	1.13	1.12	0.53	1.04	0.75	1.11	1.48	0.87	1.84
Cer 18:1;O2/16:1	ME583035	0.74	1.02	1.01	0.83	0.51	0.88	1.14	1.61	0.97	2.29
Taurine	ME583189	0.77	1.14	0.88	0.84	0.69	0.93	1.06	1.46	0.96	1.91
Piperine	ME583169	0.74	0.19	0.96	0.75	0.61	1.63	2.48	0.74	1.81	0.17
PC 34:2	ME583150	0.28	0.26	1.30	1.59	NA	1.67	0.97	0.81	0.36	0.47
PC 30:0	ME583239	0.52	0.40	1.05	0.90	0.67	1.92	1.53	0.94	1.18	1.19
alpha-N-Phenylacetylglutamine	ME582994	0.72	0.45	1.11	1.35	0.55	1.84	1.25	0.39	0.78	1.35
Imidazolepropionic acid	ME583080	0.52	0.73	0.73	1.29	0.39	1.99	1.33	0.32	0.86	1.13
LPE 16:1	ME583105	0.72	0.56	0.68	0.45	0.14	1.91	2.09	0.87	0.63	0.36
Ectoine	ME583062	0.64	0.44	1.31	0.86	0.27	1.36	2.01	0.52	0.82	0.27
N-Acetyl-D-tryptophan	ME583230	0.60	0.46	1.34	1.34	0.61	1.44	1.34	0.65	1.05	0.42
3-Methylhistidine	ME582981	1.10	0.57	1.20	0.69	0.36	1.51	1.23	0.66	1.07	0.53
Methylimidazoleacetic acid	ME583119	1.23	0.61	1.09	0.74	0.43	1.40	1.38	0.46	1.07	0.34
Cortisol	ME583212	1.70	1.48	1.03	0.84	0.62	0.33	0.37	0.02	1.91	0.42
Nicotinic acid	ME583140	1.58	0.81	1.14	0.44	0.27	0.42	2.07	0.14	0.81	0.19

Factors:

F1	collectionWeek:0 \| PUCAI_C3_WKall:mild
F2	collectionWeek:0 \| PUCAI_C3_WKall:moderate/severe
F3	collectionWeek:12 \| PUCAI_C3_WKall:inactive
F4	collectionWeek:12 \| PUCAI_C3_WKall:mild
F5	collectionWeek:12 \| PUCAI_C3_WKall:moderate/severe
F6	collectionWeek:4 \| PUCAI_C3_WKall:inactive
F7	collectionWeek:4 \| PUCAI_C3_WKall:mild
F8	collectionWeek:4 \| PUCAI_C3_WKall:moderate/severe
F9	collectionWeek:52 \| PUCAI_C3_WKall:inactive
F10	collectionWeek:52 \| PUCAI_C3_WKall:moderate/severe

Data matrix