Metabolite_name	RefMet_name	CC_566_FF1	CC_567_FF2	CC_568_FF3	CC_569_FF4	CC_560_FR1	CC_561_FR2	CC_562_FR3	CC_563_FR4	CC_FS_1	CC_FS_2	CC_FS_5	CC_FS_7	CC_In1	CC_In3	CC_In4	CC_In6	CC_LD_4	CC_LD_5	CC_LD_6	CC_LD_8
Factors	-	Organ:Cecum | Treatment:SPF | Diet:Fiber-free	Organ:Cecum | Treatment:SPF | Diet:Fiber-free	Organ:Cecum | Treatment:SPF | Diet:Fiber-free	Organ:Cecum | Treatment:SPF | Diet:Fiber-free	Organ:Cecum | Treatment:SPF | Diet:Fiber-rich	Organ:Cecum | Treatment:SPF | Diet:Fiber-rich	Organ:Cecum | Treatment:SPF | Diet:Fiber-rich	Organ:Cecum | Treatment:SPF | Diet:Fiber-rich	Organ:Cecum | Treatment:SPF | Diet:Fiber-supplemented	Organ:Cecum | Treatment:SPF | Diet:Fiber-supplemented	Organ:Cecum | Treatment:SPF | Diet:Fiber-supplemented	Organ:Cecum | Treatment:SPF | Diet:Fiber-supplemented	Organ:Cecum | Treatment:SPF | Diet:Inulin-supplemented	Organ:Cecum | Treatment:SPF | Diet:Inulin-supplemented	Organ:Cecum | Treatment:SPF | Diet:Inulin-supplemented	Organ:Cecum | Treatment:SPF | Diet:Inulin-supplemented	Organ:Cecum | Treatment:SPF | Diet:LabDiet	Organ:Cecum | Treatment:SPF | Diet:LabDiet	Organ:Cecum | Treatment:SPF | Diet:LabDiet	Organ:Cecum | Treatment:SPF | Diet:LabDiet
10-Hydroxydecanoate	10-Hydroxydecanoic acid																				
1-Aminoethylphosphonate																					
2^_3^-cCMP	2',3' cyclic CMP																				
2_3-DPG	2,3-Diphosphoglyceric acid																				
2_3-Pyridinedicarboxylate	Quinolinic acid	37	23	9	8.9000	34	34	40	35	13	8.4000	31	13	22	14	20	22	27	17	21	29
2_4-Dihydroxypyrimidine-5-carboxylate	Uracil-5-carboxylic acid																				
2_5-Dihydroxybenzoate	Gentisic acid					36												59	67	93	68
2-Amino-3-phosphonopropionate																					
2-Aminoethylphosphonate	Ciliatine																				
2-Deoxyglucose 6-phosphate	2-Deoxy-D-glucose 6-phosphate																				
2-Deoxyribose 1-phosphate	Deoxyribose 1-phosphate																				
2-Furoate	2-Furoic acid																				
2-Hydroxy-4-methylpentanoate	D-Leucic acid																				
2-Hydroxybutyrate	2-Hydroxybutyric acid	20		35		63		44	78					68	35		37	19	55		
2-Hydroxyglutarate	2-Hydroxyglutaric acid	116	72	52	62	83	218	256	246	54	43	89	69	702	430	347	184	476	200	166	469
2-Hydroxyisobutyrate	2-Hydroxyisobutyric acid																				
2-Hydroxyoctanoate	2-Hydroxyoctanoic acid																				
2-Hydroxypentanoate	2-Hydroxyvaleric acid	20	15	17	16	32	25	35	27	12	12	10	8.7000	16	36	11	14	21	18	21	19
2-Hydroxyphenylacetate	2-Hydroxyphenylacetic acid																				
2-Isopropylmalate	2-Isopropylmalic acid					6.5000	5.3000	4.5000	7.9000					9.3000	5.8000	3.2000	1.7000	3.7000	4.1000	3.7000	
2-Oxoadipate	Oxoadipic acid																				
2-Oxobutyrate	3-Methyl pyruvic acid																				
2-Oxoglutarate	2-Oxoglutaric acid	1473	703	877		762	1894	3898	1693	1276	655	656	764	2267	1098	1417	1053	1434	1524	791	3507
2-Oxoisopentanoate	Ketoisovaleric acid	532	265	363		409	1162	1601	986	609	377	395	517	963	417	666	605	817	1017	369	1674
2-Oxooctanoate																					
2PG	2-Phosphoglyceric acid																				
2-Quinolinecarboxylate	Quinaldic acid																				
2-Thiopheneacetate	2-Thienylacetic acid																				
3-(2-Hydroxyphenyl)propionate	3-(2-Hydroxyphenyl)propanoic acid																				
3-(4-Hydroxyphenyl)propionate	Desaminotyrosine	258	223	146	48	1358	1126	1116	1566	48	147	130	60	259	72	111	108	1475	1722	2135	1934
3^_5^-Cyclic dAMP																					
3^-AMP	3'-AMP																				
3-Hydroxy-3-methylglutarate	3-Hydroxymethylglutaric acid	13				302	84	85	209		8.5000	6.7000		26			6.1000	46	50	53	42
3-Hydroxybutyrate	3-Hydroxybutyric acid	105	131			911	394	583	624	99	120	99	87	104	103	108	132	538	540	1029	429
3-Hydroxypropionate	Hydroxypropionic acid	130				130	151	177	208			89	106				107	167	222	143	316
3-Indolebutyrate	3-Indolebutyric acid																				
3-Indoxyl sulfate	Indoxyl sulfate																				
3-Methylbutanoate	Isovaleric acid	1923	1223	1374	1287	617	1143	791	550	736	850	1087	1229	555	894	799	1000	1680	1295	775	1866
3PG	3-Phosphoglyceric acid																				
3-Phenyllactate	Phenyllactic acid				6.8000	65	54	72	204					136	51	63	33			22	119
3-Phenylpropionate	Hydrocinnamic acid																				
3-Ureidopropionate	Ureidopropionic acid																				
4-Acetylbutyrate	5-Ketocaproic acid	18	30	36		11	23	16	23	13	21			19		23	14	15		23	22
4-Hydroxy-3-methoxymandelate	Vanillylmandelic acid																				
4-Hydroxymandelate	4-Hydroxymandelic acid																				
4-Methyl-2-oxopentanoate	Ketoleucine	2749	1506	2062	52	2069	5244	7996	5031	2916	1714	1788	2289	4757	2007	3211	2959	4286	4769	2031	9084
4-Methylthio-2-oxobutyrate	2-Oxo-4-methylthiobutanoic acid	368	223	317		356	601	950	580	311	208		179	799	363	534	348	515	575	320	1040
4-Oxohexanoate																					
4-Oxopentanoate	Levulinic acid																				
4-Pyridoxate	4-Pyridoxic acid	12	15	6.2000	4.1000					3.5000	5.7000	12	5.8000								
6-Hydroxyhexanoate	6-Hydroxycaproic acid	57	54	38	35					27	28	30			38		12				
6-Phosphogluconate	6-Phosphogluconic acid																				
Acetyl CoA	Acetyl-CoA																				
Adenosine 3^_5^-diphosphate	Adenosine 3',5'-diphosphate																				
Adenosine 5^-phosphosulfate	Adenosine phosphosulfate																				
Adenylosuccinate	Adenylsuccinic acid																				
Adipate	Adipic acid																				
ADP	ADP																				
ADP-glucose	ADP-glucose																				
ADP-ribose	ADP-ribose																				
Allantoate	Allantoic acid																				
AMP	AMP				54																
ATP	ATP																				
Azelate	Azelaic acid	44	51	44	22	194	167	252	212	47	36	39	30	25	21	15	26	155	98	67	90
Barbiturate	Barbituric acid																				
Benzoate	Benzoic acid																				
Benzoylformate	Phenylglyoxylic acid																				
Benzylsuccinate	(R)-2-Benzylsuccinic acid																				
Biotin	Biotin																				
Butyrate	Butyric acid	20794	14415	24960	13578	50704	58415	31494	58664	21836	29365	29129	18922	30671	49929	34748	19159	56526	39881	47333	44507
cAMP	3',5' cyclic AMP																				
Carbamoylaspartate	Carbamoylaspartate	348	200			115	387	263	318	259	151	68	132	331	476	311	917	375	454	230	617
Carbamoylphosphate	Carbamoylphosphate																				
CDP	CDP																				
CDP-choline	CDP-choline																				
cGMP	3',5' cyclic GMP																				
Cholate	Cholic acid	9824	6462	15372	4314	2444	1973	2068	1845	6812	3305	13119	3605	2855	4487	7258	7057	2169	1789	1752	1578
cIMP																					
cis-Aconitate	cis-Aconitic acid					8.6000		18	11		9.9000							4.3000	7.8000	4.7000	6.4000
Citraconate	Citraconic acid	6.2000	6.2000			3.7000	4.9000		2.2000			6.3000		5.8000	3.7000			7.2000	3.6000	4.7000	6.2000
Citramalate	Citramalic acid	14				26	17	65	66			5.2000	3.6000	24	35	11	11	87	92	72	141
Citrate	Citric acid	25	10		40	272	86	457	378	26	241	11	6	32	26	24	60	214	274	239	380
CMP	CMP	3.9000			14	7.4000				34	21			7.4000	13	17	48				
CMP-N-acetylneuraminate	CMP-N-acetylneuraminic acid				24						13										
CoA	Coenzyme A																				
Crotonate	Crotonic acid																				
CTP	CTP																				
Cysteate	Cysteic acid	36	43	34	24	33	43	41	42	26	32	101	63	23	19	24	36	72	58	47	69
Cysteine S-sulfate	Cysteine-S-sulfate	481	1148	1122	177	279	205	159	158	746	594	4717	2934	264	185	433	641	117	146	142	56
Cysteine sulfinate	3-Sulfino-alanine																				
dADP	dADP																				
dAMP	dAMP									5.6000	5.5000						7.5000				
dATP	dATP																				
DCA	Deoxycholic acid	3253	3841	2138	2042	578	835	851	546	3798	2492	4397	3841	569	1115	1913	1440	1366	805	554	664
dCDP	dCDP																				
dCMP	dCMP									39	32			22	18		47				
dCTP	dCTP																				
Deamido-NAD+	Nicotinic acid adenine dinucleotide																				
Decanoate	Capric acid	22		30	54	14	15			66	37	15	10	29	15	15	21		28	15	9.9000
dGTP	dGTP																				
DHAP	Dihydroxyacetone phosphate																				
Digalacturonate	Digalacturonic acid					15	22	18	19	39	61	137	20	17				15	45	36	11
Dihydroorotate	4,5-Dihydroorotic acid	142	119			84	90	165	233	78				286	276	134	270	145	197	219	324
dITP	dITP																				
Dodecanedioate	Dodecanedioic acid	9.6000	6.9000	7.1000	4.5000	105	99	144	120	6.8000	5.2000	5.2000	4.1000	5.9000	5	5.3000	5.7000	108	108	113	125
Dodecanoate	Lauric acid	106	138	205	182	56	86			208	66	102	115	60	64		71	34			
dTDP	dTDP																				
dTMP	dTMP	6.9000			14	11				27	15			21	13	6.5000	51				
dTTP	dTTP																				
dUDP	dUDP																				
dUMP	dUMP																				
dUTP	dUTP																				
F1_6P	Fructose 1,6-bisphosphate																				
F6P	Fructose 6-phosphate					14	16	17	27					35			12	13	11	13	15
FAD	FAD	11			19			20	25						18				16	16	32
Folate	Folic acid																				
Fumarate	Fumaric acid	292	83	94	18	400	342	342	272	206	327	79	263	547	353	559	715	627	606	290	371
G1P	Glucose 1-phosphate					50		38	73	4.6000				42	25		13		19	17	23
G3P	Glyceraldehyde 3-phosphate																				
G6P	Glucose 6-phosphate					40		67	121	16	14			168	86	38	58		30	43	35
Galacturonate 1-phosphate																					
GDP	GDP																				
GDP-mannose	GDP-mannose																				
Gluconate	Gluconic acid					292	253	302	1698												
Glucosamine 6-phosphate	Glucosamine 6-phosphate																				
Glucuronate	Glucuronic acid	123	114	236	35	1745	915	1305	1771	269	102	553	297	261	121	261	287	748	830	944	909
Glutarate	Glutaric acid	282	348	215	136	528	423	268	344	81	160	404	133	298	231	202	223	379	347	327	454
Glycerate	Glyceric acid	840	706	500	552	1627	2009	1918	1425	817	912	735	679	1473	1399	2043	1749	1028	1307	1002	1296
Glycerophosphate	sn-Glycero-3-phosphate				65	75	30	84	154	115	26			101	44	29	66	30	55	44	72
Glycocholate	Glycocholic acid	35	18	36			10	8.4000		15		26		13	18	42	59				
Glycolate	Glycolic acid	803	690	686	605	1138	1494	1222	1272	958	967	967	937	951	1117	880	1042	1013	850	902	1208
Glyoxylate	Glyoxylic acid																				
GMP	GMP									7.1000							15				
GTP	GTP																				
Heptanoate	Heptylic acid		20	19	18																
Hexanoate	Caproic acid	75	73	69	102	54	67	41	70	135	62	66	50	85	84	73	62	55	53	48	65
Hippurate	Hippuric acid																				
Homovanillate	Homovanillic acid																				
IDP	IDP																				
IMP	IMP																				
Indolelactate	Indolelactic acid																				
Isethionate	2-Hydroxyethanesulfonate	128	196	81	64	283	91	61	120	58	41	131	76	101	52	156	122	42	51	38	34
Isobutyryl CoA	Isobutyryl-CoA																				
Isocitrate	Isocitric acid							22	7.3000		9.3000								9.5000	9.2000	11
Itaconate	Itaconic acid	7							17								15	9.4000		10	13
ITP	ITP																				
Lactate	Lactic acid	1505	1469	2837	3463	8838	3694	3532	20366	2018	3288	1818	1154	7508	1988	3027	1829	637	2674	1385	4738
Malate	Malic acid	709	152	94	43	1646	1341	2049	2062	867	1266	182	562	2997	2875	2566	4221	2747	2961	1350	2066
Malonate	Malonic acid	52	26	35		359	161	162	211	82	64	59	36	50	52	37	40	127	127	110	80
Malonyl CoA	Malonyl-CoA																				
Methanesulfonate	Methanesulfonic acid																				
Methyl sulfate	Methyl sulfate		23					18	15		9.8000									22	
(Methylthio)acetate	(Methylthio)acetic acid																				
m-Hydroxybenzoate	3-Hydroxybenzoic acid																				
Mucate	Galactaric acid																				
N-Acetylaspartate	N-Acetylaspartic acid	164	153	119	79	92	266	228	357	156	118	60	35	84	52	80	112	126	240	154	231
N-Acetyl-beta-alanine	N-Acetyl-beta-alanine																				
N-Acetylglucosamine 1-phosphate	N-Acetylglucosamine 1-phosphate				110	9.8000		16	20					14			7.1000				8.1000
N-Acetylglucosamine 6-phosphate	N-Acetyl-glucosamine 6-phosphate																				
N-Acetylglutamate	N-Acetylglutamic acid	238	123	121	122	144	279	301	236	152	113	128	103	175	188	210	223	241	248	155	278
N-Acetylleucine	N-Acetylleucine	7.5000		9.7000		5.4000	12	11	9.4000	3.7000	4.9000	7.7000	5.8000	11	5.9000	14	11	25	20	8.4000	18
N-Acetylmethionine	N-Acetylmethionine	23	23	28	5.9000	32	44	48	71	17	36	21	21	49	23	34	84	51	61	50	73
N-Acetylmuramate	N-Acetylmuramic acid	197	121	70	9.5000	308	275	701	650	80	105	62	62	966	741	407	365	564	575	607	1266
N-Acetylneuraminate	N-Acetylneuraminic acid	332	229	1496	115	2635	2068	969	1289	439	385	891	720	1728	225	949	1004	195	609	282	433
N-Acetylphenylalanine	N-Acetylphenylalanine						6.3000	9.3000	6.4000							4.4000	3.9000	6.2000			4.2000
NAD+	NAD																				
NADH	NADH																				
NADP+	NADP																				
NADPH	NADPH																				
N-Carbamylglutamate	Carglumic acid																				
N-Formylaspartate	N-Formyl-aspartic acid					13	36	38										24	28	32	34
N-Formylmethionine	N-Formylmethionine	57	36	30		65	79	57	44	36	31	40	27	20	21	52	38	109	86	56	82
Nicotinate	Nicotinic acid	809	655	507	169	1429	1439	1778	1760	612	557	459	413	1689	1632	1940	1730	1551	1365	1371	1703
o-Coumarate	trans-o-Coumaric acid																				
Octanoate	Caprylic acid			28	25					21			8.3000								
o-Hydroxybenzoate	Salicylic acid																				
o-Hydroxyhippurate	Salicyluric acid																				
O-Phosphoserine	Phosphoserine																				
Orotate	Orotic acid	239	213	159		308	155	637	539	166	89		151	489	419	415	419	326	302	355	535
Orotidine 5^-monophosphate	Orotidylic acid																				
P1_ P4-Di(adenosine-5^) tetraphosphate																					
Pantothenate	Pantothenic acid	273	196	157	15	281	366	534	407	195	175	146	146	368	345	435	382	452	380	362	560
p-Coumarate	cis-p-Coumaric acid																				
Pelargonate	Pelargonic acid	68	88	106	65	46	51	24		62	47	45	40	38	43			32	34	24	
Pentanoate	Valeric acid	4632	3605	4328	3722	1392	2258	1201	1205	2193	3760	3298	2997	2179	2543	2669	2414	4001	2926	2422	4014
PEP	Phosphoenolpyruvic acid																				
Phenaceturate	Phenylacetylglycine																				
Phenyl phosphate	Phenyl phosphate																				
Phenylpyruvate	Phenylpyruvic acid	162	89	131		126	200	386	268	116	71	54	66	320	134	189	159	188	204	123	465
Phosphonoacetate	Phosphonoacetate																				
Phthalate	Phthalic acid	13	2.8000			17	13	14	13	2.1000	3	2		2.4000		3.2000	2.4000	4	3.7000	3.8000	3.9000
p-Hydroxybenzoate	4-Hydroxybenzoic acid	74	107	51		160	176	63	98	44	51	88	39	84	50	45	65	113	87		
p-Hydroxyphenylacetate	4-Hydroxyphenylacetic acid				572																
Pimelate	Pimelic acid	13				27	15		29					17				16	8.7000		15
Porphobilinogen	Porphobilinogen																				
Propionate	Propionic acid	14950	9953	13243	8773	23360	23405	16796	14542	12169	22700	14260	13070	40443	36738	30704	31150	28917	24539	17884	26735
Prostaglandin E2	PGE2																				
Prostaglandin F2alpha	PGF2alpha																				
PRPP	Phosphoribosyl pyrophosphate																				
Pyrrole-2-carboxylate	Pyrrole-2-carboxylic acid								16									7.4000	16		
Pyruvate	Pyruvic acid			1087		615	1244	1491	911	518		660	783	1856	459	842	1002	1085	1126	433	1873
Quinate	Quinic acid	99	60	57	30	60	39	31	39	88	55	147	46	46	59	62	43		26	20	
R5P	Ribose 5-phosphate																				
Ribulose 1_5-diphosphate	Ribulose 1,5-bisphosphate																				
Ru5P	Ribulose 5-phosphate								31	25											
S7P	Sedoheptulose 7-phosphate																				
Saccharate	Glucaric acid																				
Sebacate	Sebacic acid	12	7.2000	6.1000	4.5000	52	42	67	52	5.9000	6.9000	4.4000	3.4000	4.9000	4.5000	3.4000	4.6000	33	22	23	30
Serine O-sulfate	Serine-O-sulfate																				
Shikimate	Shikimic acid																				
Sinapate	Sinapic acid																				
Sorbitol 6-phosphate	Pseudouridine																				
Succinate	Succinic acid	1522	573	1462	447	3172	1149	1594	1480	1016	840	1675	1204	6373	2012	2747	839	1241	1020	635	2745
Succinyl CoA	Succinyl-CoA																				
Syringate	Syringic acid					237			106												
Tartrate	Tartaric acid									39	29	15			16	20					
Taurocholate	Taurocholic acid	102	72	482	637	74	76	48	59	92	42	166	35	35	48	78	106	83	52	85	78
TDP-glucose	dTDP-glucose																				
Terephthalate	Terephthalic acid		7.6000	7.2000		15	11	12		6	16	7.4000	7.1000		14		12				
Threonate	Threonic acid																				
Tiglate	Tiglic acid																				
trans-4-Hydroxy-3-methoxycinnamate	trans-Ferulic acid	172	161	142		5064	2131	4148	3950	173	136	295	145	236	190	215	186	1626	2081	1810	1419
trans-Aconitate	trans-Aconitic acid																				
trans-Cinnamate	trans-Cinnamic acid																				
Trehalose 6-phosphate	Trehalose 6-phosphate																				
UDP	UDP																				
UDP-glucose	UDP-glucose																				
UDP-glucuronate	UDP-glucuronic acid																				
UDP-N-acetylglucosamine	UDP-N-acetylglucosamine								31												
UMP	UMP	10			52		13		21	29	13			17	23	19	41		16		
Undecanoate	Undecylic acid		8	5.4000	11						13			6.7000	10	12	16		8.6000		
Urate	Uric acid	189	210	155	47	327	1048	366	224	316	724	395	274	312	229	470	892	403	759	156	116
UTP	UTP																				
Xanthurenate	Xanthurenic acid											13		8.5000							
XMP	XMP																				
XTP	Xanthosine 5-triphosphate