metabolite_name	S00046232	S00046233	S00046234	S00046235	S00046236	S00046237	S00046238	S00046239	S00046240	S00046241	S00046242	S00046244	S00046245	S00046247	S00046248	S00046249	S00046250	S00046251	S00046252	S00046253	S00046254	S00046256	S00046257
tauro-alpha-muricholate	1419.700544	377.2009929	286.7276803	3605.566435	786.8351004	1351.526307	800.94723	652.9623288	216.001135	722.5893938	2266.500697	146.9720861	572.6002415	226.5612639	293.8860259	1101.995654	33.36943616	94.63014674	114.3354768	1811.065079	747.5390812	1602.29818	750.0739437
Tauro-gamma-muricholate	0.124147139	1.490634564	0.190672729	14.50812133	2.252225063	2.537164374	0.555846773	0.035376208	0.519097651	0.22188	3.628924593	0.316412519	2.566983377	0.313555241	3.368084725	6.437736482	0.780415214	2.521067031	1.469671587	3.174676214	0.718543053	1.702883703	1.816858779
tauroursodeoxycholate	11.98828893	9.606781724	7.568487916	16.51747905	14.54553437	23.14152388	7.918186181	16.85207312	6.134277243	15.26038897	29.12253252	3.795379461	8.295628534	6.015476248	8.950719963	17.69607173	4.273649804	8.259375934	5.373759749	11.6024981	18.74967886	21.31554073	20.18098229
taurohyodeoxycholate	1.100902228	5.414241621	3.897862355	55.20290969	5.720033363	3.205175211	4.740378591	3.598294066	5.895165401	5.746231713	2.426784604	3.011297987	1.557812099	1.718581407	1.854379155	14.45602626	3.776806344	2.887388817	3.584586075	3.623966889	3.538465224	2.036907125	21.78375443
Taurocholate	177.4837267	70.81890958	16.22190326	2226.190468	957.4146501	35.71537064	289.217774	33.88485295	57.59546176	77.92021428	82.64844117	204.1376835	23.91179521	217.9179339	61.5385473	903.3702478	11.30907071	101.0426056	62.79207595	712.8638463	68.60785961	391.5734246	501.8765685
omega-Muricholate	9.273287777	15.99987693	9.187671902	70.45199697	0.593025305	13.34230866	2.077619232	12.86072907	2.835307145	14.35633954	18.2192282	2.864938543	26.23986306	1.70129629	11.80265097	33.35202287	2.871547957	2.764660441	11.01785555	27.2912475	61.27164449	19.71296733	17.0158253
glycoursodeoxycholate	0.027027426	0.04689151	0.048368189	0.041155287	0.077267622	0.05404364	0.051022886	0.057403847	0.030828416	0.061520414	0.043644334	0.054598438	0.059455481	0.016789026	0.088146098	0.054691958	0.010884796	0.017665529	0.041629358	0.037659168	0.038918312	0.125201175	0.054819534
Glycocholate	8.708272147	4.317007468	0.450650391	33.55190036	5.201024445	1.325340891	9.036195264	2.681654023	1.335732961	2.163321797	2.938376629	4.185203903	3.78127765	1.765813413	2.956661365	13.26873436	0.571728004	3.455781192	0.456121581	11.16191368	1.26018093	16.86022754	15.56594998
glycohyodeoxycholate	0.012207936	0.006190037	0.034370898	0.012692041	0.01147552	0.005994402	0.010984159	0.009488564	0.006921015	0.009001181	0.007112341	0.042620361	0.037449032	0.006260269	0.041415611	0.006990411	0.008457995	0.017094997	0.012114398	0.014096979	0.018789509	0.011089671	0.036249996
alpha-Murocholate	7.902205431	8.639549688	4.015221345	6.837864111	5.593305235	11.00259174	10.19614133	6.977086259	4.744871767	4.918790873	5.448683117	3.825981889	6.861377669	4.421740131	8.501781754	11.46699174	2.988252285	8.540495832	13.44493929	6.119872491	5.506333258	15.12067399	9.258706832
beta-Muricholate	137.9674976	14.19244186	27.31668179	21.6083151	1.778866448	34.80710066	6.752583486	96.52860253	5.253372421	55.60643011	54.73940207	15.23876424	66.81193071	4.535064372	10.13464432	31.02352176	9.814173406	14.97209782	21.86192642	67.50386582	103.1927696	77.22869148	13.33523145
taurochenodeoxycholate	2.796538211	4.451912987	1.888899049	10.77969663	18.56202039	0.843615797	5.908363105	2.560038687	1.185198857	2.004665644	8.591312637	4.66476975	0.665579523	6.080358676	2.188506542	7.568275124	1.144906131	2.266665475	1.022478145	2.657847891	4.580221003	2.122051423	10.96978429
taurodeoxycholate	47.79425501	34.34514897	9.555776881	527.5259615	391.9605608	3.911490012	236.2110906	37.41562115	5.749029752	71.71117096	25.90634903	110.6371134	3.479502793	123.991556	10.55027195	468.3986793	13.11156781	106.2521783	16.02817042	109.8634567	46.50834222	40.56434995	608.5028942
hyocholicacid	4.015223932	4.14311287	3.404386405	6.562333981	4.544536766	2.239339537	2.056018233	2.93451351	2.325371467	2.402475003	3.381434089	1.705968795	4.150111663	3.475456854	1.895153682	1.930983673	2.163685195	2.207368649	2.496586861	1.364541557	3.008525319	3.922522383	2.569999028
Cholate	727.4780004	188.2879065	6.635251662	274.4126551	6.961891068	37.30503197	94.90338043	45.44419522	16.94423456	80.97517657	31.92556406	1.182956956	90.46518306	20.03537937	69.16311418	225.2406616	11.36869438	19.06128679	12.18258925	76.47441279	56.73689858	489.0916167	52.55964202
ursodeoxycholate	5.484319242	5.141945443	2.440568814	1.738879295	0.084768345	7.84360206	1.154364035	2.481167295	0.606316357	6.519953679	4.904443706	0.415012289	12.13692268	5.595127686	5.305235672	3.365775113	1.494420812	0.589555034	2.181658889	4.666348145	13.99036239	9.063998551	5.900605497
glycochenodeoxycholate	0.210259839	0.251370839	0.065437136	0.061631345	0.088695221	0.025135469	0.047544611	0.094880877	0.027356638	0.017942147	0.021832499	0.126183212	0.084497752	0.033553243	0.071213762	0.17588117	0.038276661	0.023303474	0.048719383	0.052798283	0.031143699	0.078481799	0.226196027
hyodeoxycholate	1.153262025	0.1565801	0.968762551	11.65143655	0.768422571	0.029549433	0	0.881210289	0	3.332947155	0	1.445491873	0	1.586721883	0.684892925	5.155462205	0.601364432	0.223362294	0	0.816262753	3.977630874	0.652817971	3.953285896
glycodeoxycholate	0.090991725	0.007854669	0.012470377	0.336552411	0.040876904	0.027937648	0.157205555	0.031944446	0.04000144	0.067937841	0.00933584	0.069514955	0.02219091	0.086411167	0.052446834	0.154586598	0.011612867	0.051767186	0.031799766	0.026071516	0.028143331	0.045170157	0.387111608
Taurolithocholate	0.217040123	2.051709006	0.949459267	1.116335105	1.186514359	0.244744491	1.368662132	0.781695908	0.188724766	0.377282635	1.158773144	1.135051783	0.249399285	0.668240233	0.325252344	0.519207749	0.269809546	0.88786146	0.193166547	0.463927631	0.527035496	0.206659394	2.445557946
chenodeoxycholate	215.7432966	41.45734403	19.34419108	516.5620619	100.9054642	46.45923275	110.5032366	139.5591587	10.72507969	203.4612399	97.34951959	73.95294134	255.5853442	198.4480882	28.0293453	424.6010649	6.684164496	118.4880783	34.06135018	468.5615322	316.8727029	261.2022549	474.5733304
Deoxycholate	223.6156944	44.2491309	20.05005388	535.4112318	104.5874695	48.15451398	114.5354613	144.6516238	9.814179129	210.8854698	100.9017697	76.65145844	57.96853375	205.6893899	29.05212636	440.09461	6.835941677	122.8116671	35.30423699	485.6591794	328.4352776	270.7334343	491.8903461
glycolithocholate	5.950503357	8.095289974	4.905035554	23.80437619	9.398117078	2.49512507	0.862280136	2.739819568	22.42217185	9.781768671	16.6981688	18.33553116	3.795913245	1.180092442	4.592093845	20.53103553	28.57527751	22.97498751	2.315033981	17.10617906	12.75493715	25.16332441	21.18569702
lithocholate	3.958902324	3.920048019	12.5778321	21.70201096	9.270124401	43.78715225	24.03888445	18.64341791	27.89944561	2.430945208	18.57554289	7.390393123	4.07192359	8.43310047	18.82761121	17.83780317	8.436437114	3.309974737	2.95277125	22.25177781	5.205187963	3.505569621	18.96787516

metabolite_name	PubChem
tauro-alpha-muricholate	101657566
Tauro-gamma-muricholate	11954195
tauroursodeoxycholate	9848818
taurohyodeoxycholate	119046
Taurocholate	6675
omega-Muricholate	5283851
glycoursodeoxycholate	12310288
Glycocholate	10140
glycohyodeoxycholate	114611
alpha-Murocholate	5283852
beta-Muricholate	5283853
taurochenodeoxycholate	387316
taurodeoxycholate	2733768
hyocholicacid	92805
Cholate	221493
ursodeoxycholate	31401
glycochenodeoxycholate	12544
hyodeoxycholate	5283820
glycodeoxycholate	3035026
Taurolithocholate	439763
chenodeoxycholate	10133
Deoxycholate	222528
glycolithocholate	115245
lithocholate	9903