metabolite_name	C4	C5	C7	C8	C9	C16	C21	C25	C31	C37	C38	C40	C45	C46	C47	C49	C51	C53	C28	C30	CE54	CE55	CE57	DE55	D10	D11	D12	D13	D15	D16	D19	D20	D21	D22	D23	D25	D26	D27	D28	D56	D58	D59	DE5	DE10	DE11	DE12	DE51	DE52	DE54	DE53
(+/-)12(13)-DiHOME	0.003736250292	0.007811285869	0.00329438603	0.004862703696	0.01780988649	0.004147349051	0.005175085644	0.004455324284	0.007495256397	0.004530157595	0.0053010355	0.00663086728	0.01077353204	0.007934996383	0.007245070155	0.008458383878	0.005518701691	0.01266456275	0.004628787426	0.009391648716	0.009164533334	0.00280449492	0.00626352317	0.005117143557	0.01155193039	0.003870401371	0.01490336354	0.005374081333	0.002866753451	0.007507438124	0.007694572959	0.005215377888	0.04962588764	0.01082509379	0.005935069183	0.01611112079	0.005677160517	0.01248984176	0.02031532236	0.006005192848	0.01915942046	0.01335449834	0.005177223153	0.005975515946	0.00649630351	0.003365919182	0.005854371147	0.007651378028	0.006322159197	0.003900233515
1,3,7-Trimethyluric acid	0.0188216672	0.003387240205	0.002702596127	0.01283270864	0.01528503701	0.00711118384	0.00009849386849	0.01846222442	0.001899707344	0.005053721118	0.008924203399	0.0002398217742	0.01004346611	0.002378112705	0.0003545706954	0.005731410886	0.007125587717	0.008689593169	0.0001319307387	0.00393985883	0.01185840514	0.008509043406	0.006091058071	0.01729081045	0.01010329864	0.000090385035	0.005989678741	0.004939001236	0.00811524829	0.002318900373	0.01963295649	0.005830210659	0.0000799106335	0.0004768204515	0.008868093545	0.0005387748098	0.007710077122	0.0006402245835	0.008146971661	0.00007576258756	0.0000907208752	0.001713335017	0.0002606472375	0.00009184381764	0.00009603116188	0.003723948236	0.006281408541	0.000864264803	0.00009512185577	0.02645501686
1,7-Dimethyluric acid	0.02488676439	0.008448117373	0.009180640137	0.01877513988	0.04819961787	0.008655775083	0.0007451886837	0.02435247204	0.00485013851	0.008348665746	0.01489137883	0.002205266373	0.02128234273	0.004893974967	0.001282128016	0.01569413768	0.009019407989	0.03518235613	0.0009591349767	0.007762443063	0.008974848121	0.01618091766	0.01405481267	0.02093666262	0.007780887051	0.0003571971001	0.008552890989	0.003631092707	0.01299956263	0.006678868155	0.01923844485	0.01605663148	0.0006458047556	0.000595305253	0.01067453258	0.001388613648	0.009413635195	0.003702901859	0.03496470662	0.0001852186541	0.0004569805796	0.004710082104	0.0003485002191	0.0001101242404	0.0003781296629	0.01526174873	0.01760722674	0.003681860894	0.0004262928683	0.09675876143
2-Methylhippuric acid	0.006694581516	0.006559182883	0.01137721637	0.007759544746	0.007758769508	0.01000578447	0.01184886745	0.01276210541	0.008915899955	0.00803749926	0.01384848436	0.01150179223	0.01068685156	0.009439442868	0.005790963925	0.008504842401	0.00708938198	0.00633749508	0.007241632064	0.0103743588	0.01764976142	0.01399448834	0.009408317377	0.008538802797	0.0128736443	0.007197565632	0.005454365843	0.006968757041	0.0064067254	0.009274607216	0.0124815756	0.007874900933	0.01197670202	0.01030050913	0.009438541914	0.0120974268	0.008514658479	0.01140730981	0.01037238958	0.009042552168	0.009541486724	0.01286430804	0.00885082916	0.01000958056	0.01285154503	0.01425929318	0.008926542588	0.008060176513	0.00629719397	0.009602305382
3-Hydroxybutyric acid	0.03430171103	0.07863125844	0.08954629971	0.1097032267	0.1948276547	0.0633043087	0.04065323015	0.05834477627	0.01338590199	0.03095610532	0.08227595998	0.03763499179	0.2198995916	0.04775906723	0.06809144776	0.1395382886	0.01973756328	0.194273577	0.01326168706	0.2447796219	0.07714189081	0.0216669161	0.02500846447	0.01733443162	0.02661454277	0.01463363113	0.1049683125	0.0179232447	0.006073281019	0.04866711615	0.03495545275	0.03031096874	0.5196137435	0.0217340727	0.009056366676	0.0418466548	0.03248275314	0.08066579858	0.0233854624	0.03563855942	0.1586025106	0.312352318	0.02692201076	0.01460505076	0.01068987716	0.008948063308	0.05815032305	0.1080011021	0.06066750174	0.02748715795
3-Indoxyl sulphate	0.1409140713	0.2524963263	0.1640080615	0.2518628105	0.1561574384	0.2264608813	0.235627651	0.3972651006	0.199884195	0.110486705	0.09544142362	0.1325363192	0.225388955	0.1514708347	0.2516459606	0.1317405937	0.1299180309	0.1121983516	0.07075127564	0.148358782	0.3138424037	0.3743809201	0.1590568773	0.1912913379	0.1375203212	0.2115144292	0.05208063215	0.2786789823	0.06402023492	0.1425476265	0.009152916668	0.07901748046	0.08696733969	0.1407435367	0.2672845567	0.2909968598	0.1330542425	0.09864820355	0.1447109558	0.102675806	0.1131335421	0.09285564232	0.4650581989	0.05010870758	0.1618469827	0.2119880291	0.2304993821	0.3890341291	0.7759717876	0.7463658591
3-Methylxanthine	0.05269628772	0.008821771896	0.0351250132	0.05006129879	0.1277989755	0.05320659692	0.004636067406	0.03357933637	0.0227335081	0.02947612903	0.05220939416	0.006460110793	0.03427552833	0.02555184653	0.002369368057	0.04763466062	0.02516503644	0.133741335	0.0034896197	0.01103244764	0.03572173002	0.04236130761	0.06956643419	0.06433942433	0.07897155333	0.0003215872463	0.05347853138	0.0083864451	0.05822434513	0.01343143529	0.1381129104	0.02758506341	0.00106195673	0.001211221717	0.1363634729	0.02543487551	0.04007781819	0.02382268651	0.1255380446	0.001218310398	0.00013311891	0.00914847274	0.002356420854	0.0008712191642	0.001933164064	0.01779631796	0.03901240537	0.0114639926	0.0002889550879	0.1787994942
3-Phenyllactic acid	0.03626446392	0.02324155021	0.04054213307	0.01767451221	0.0204256353	0.05811409787	0.01397824758	0.02555351766	0.01425496471	0.009095300137	0.02388086941	0.0213317926	0.01969844031	0.02210507417	0.01049513295	0.005033278571	0.009471101582	0.01929436955	0.009416838738	0.01499729462	0.01554527047	0.01851898018	0.01999432209	0.0212001431	0.01574331449	0.01287061756	0.02334910655	0.01124477216	0.01023862787	0.011518884	0.01881046506	0.08052940574	0.01159776467	0.01174093017	0.01814358726	0.02129558567	0.03192694555	0.01404578882	0.03618356483	0.01359842155	0.009885376609	0.0085726117	0.01120048213	0.0135160387	0.02329386366	0.02861408322	0.01471485666	0.0281158429	0.02638337351	0.01015973103
4-Acetamidobutanoic acid	0.009800779228	0.01089066545	0.02546036368	0.02217001282	0.01424029802	0.01538739166	0.02485258757	0.02282498588	0.01217582269	0.01830607135	0.02322807533	0.02031348061	0.01842904639	0.01582575359	0.009202111409	0.01687465247	0.00914968536	0.0106802837	0.01016619051	0.01983773554	0.03147995578	0.02516361629	0.01794069277	0.01052742528	0.02135681895	0.01117766837	0.008228149098	0.01436230629	0.01005693708	0.01866816537	0.02294973988	0.01540308091	0.01451364815	0.01685239557	0.01638753687	0.01920224623	0.01578627919	0.01667529223	0.01904193943	0.01474223761	0.02421755884	0.01879229512	0.01127404585	0.01708020498	0.01729615287	0.03166869071	0.01649010273	0.01839799948	0.008626369666	0.01324449305
4-Guanidinobutyric acid	0.006414001192	0.001160568732	0.004211030615	0.001559942753	0.003245709409	0.003416560653	0.008690981366	0.004615983089	0.005059226362	0.001825630283	0.002059402275	0.00266338195	0.001802839834	0.003478592275	0.0009132008972	0.00009180035734	0.0001879975623	0.000162210654	0.004370779136	0.002324749781	0.005218313037	0.004946935586	0.0048367884	0.01072088973	0.001295537612	0.008771063703	0.01173979724	0.006182782152	0.004916411405	0.001691098275	0.006809771628	0.006680171193	0.006356804313	0.002601931861	0.005870730099	0.01029588851	0.007850699746	0.00423004864	0.002934045341	0.007513804802	0.006792532547	0.002877068976	0.009121818561	0.005359806779	0.005186776404	0.004731632141	0.004221666244	0.009529416018	0.0142528795	0.01054027123
4-Hydroxybutyric acid (GHB)	0.2360640354	0.4454403909	0.4851934798	0.5486436793	0.3329073707	0.3337763611	0.3456427855	0.2047473974	0.192788186	0.2034636817	0.5859690182	0.3268548644	0.4594880425	0.2007201004	0.1846689033	0.3220737853	0.1562856913	0.3267983698	0.1687433012	0.4913752448	0.4530576958	0.2843430571	0.2194374241	0.2457017546	0.3559482464	0.123781258	0.554775937	0.2131297045	0.1857050522	0.2695200769	0.3830238833	0.3370418696	0.2890306576	0.1309050252	0.1633705907	0.3169146784	0.3497336263	0.3007099306	0.2916506996	0.2197924867	0.3709510449	0.3820703426	0.137416028	0.3416729044	0.2650360301	0.1942075047	0.1687152999	0.3481655022	0.2813645803	0.2414146796
Capryloylglycine	0.01382552752	0.01381874043	0.004059495022	0.006587149932	0.01239054589	0.003954213663	0.005071680418	0.01573330849	0.01295131132	0.00664799762	0.01057349918	0.007745976492	0.01071657394	0.009452563634	0.005658730233	0.01247350046	0.009189631593	0.005915401152	0.006264712286	0.009433589467	0.0615289086	0.03362917003	0.03867706487	0.07582684131	0.02413799904	0.01152797408	0.01315900297	0.01785622464	0.01638093506	0.02655268716	0.07107076434	0.05656409448	0.02290593742	0.02137829265	0.02207734975	0.05444672483	0.04107260321	0.0726709286	0.06804603106	0.09777686874	0.07802590641	0.02722418595	0.02007667085	0.04534087692	0.02270570847	0.02477312251	0.01316707889	0.01937654374	0.09244201084	0.03941268004
Citric acid	0.2420399439	0.1912668139	0.4231068719	0.2265306714	0.4727161102	0.4242339678	0.3413764523	0.2066176712	0.5437584352	0.1393428687	0.3762042434	0.4321109618	0.43039623	0.1490696535	0.1943994985	0.2393660227	0.2723242591	0.2351830108	0.3554709856	0.7447754965	0.2082003942	0.2224949043	0.1951283209	0.4108458094	0.2225871523	0.113652355	0.212396011	0.2245476641	0.1604344795	0.1767638447	0.1286393041	0.2487546861	0.2264912501	0.178715188	0.2233281321	0.1179380766	0.1366966599	0.1598309341	0.2858488782	0.1078665782	0.2489478899	0.200278042	0.1002038729	0.2039247018	0.1159518366	0.2620288562	0.1092018189	0.1097343726	0.396319999	0.05766644699
D-(+)-Galactose	0.06025827204	0.07071260433	0.1280992027	0.08121551986	0.06759580941	0.1266977982	0.0702864373	0.07335335102	0.0880346986	0.04561260484	0.08106865246	0.08363673883	0.06591573232	0.08116481447	0.05002692517	0.07661346908	0.07716723043	0.08287682662	0.06018288674	0.07976829473	0.08227403856	0.06935404789	0.0577802247	0.06846731677	0.1472722827	0.05621076373	0.155376092	0.05711698297	0.04691771698	0.06735351027	0.06110772352	0.08131714215	0.09141099577	0.07579251288	0.06557229951	0.09955272041	0.1077603753	0.06511424606	0.07752543253	0.07862398549	0.06812498266	0.06483752366	0.05470672672	0.06107626787	0.06358414878	0.06028099779	0.06859649427	0.05689807676	0.05435083248	0.07008251318
DL-4-Hydroxyphenyllactic acid	0.05059214287	0.04933602492	0.04887243416	0.05141505384	0.02708068611	0.04339099866	0.03322371074	0.04089311955	0.02376827649	0.02184267467	0.05280242506	0.0510607252	0.02947332984	0.04140384404	0.02302842914	0.01319329367	0.0168290161	0.03029611753	0.0270097307	0.02503143596	0.04695916243	0.04168663794	0.01998367569	0.03689871873	0.03740285984	0.02774682549	0.02844112938	0.01617547259	0.03399052667	0.02714660899	0.03651873159	0.02458668541	0.0263580525	0.02190688701	0.05063899865	0.02984685532	0.03638453625	0.01695880398	0.04655159763	0.01943343122	0.02190116604	0.02610161328	0.0214600956	0.03707445331	0.02876126918	0.03439540352	0.01855701492	0.03248219545	0.03805539016	0.03570617168
DL-Arginine	0.01083936466	0.01324332657	0.01528505677	0.0122736565	0.01532885096	0.01261906433	0.01287893029	0.009515339865	0.01920665097	0.01034932437	0.01354821595	0.01400190665	0.01151880848	0.01302832398	0.01271236605	0.009632668554	0.009393341095	0.01042390454	0.01409157037	0.009807377624	0.01170636853	0.01429045267	0.01325453885	0.01055996578	0.0164060395	0.01215240216	0.01161796056	0.0117323184	0.01452400695	0.02165521087	0.01264621557	0.01446485767	0.01429482794	0.0128013024	0.01316271687	0.01440391314	0.01559278523	0.01234588273	0.01273450763	0.01221770436	0.009727833917	0.005623129256	0.01847843137	0.01015148459	0.007281838865	0.007646341516	0.009482198372	0.007930384316	0.0172078164	0.008713148915
DL-Tryptophan	0.06780119809	0.07664009483	0.1381922264	0.09273831906	0.07062566801	0.09811071022	0.09317630133	0.08441113981	0.07676833479	0.07225776462	0.09451788388	0.07103440472	0.1098746954	0.08581934815	0.06486780087	0.08341916049	0.06993767874	0.07771516172	0.06534794872	0.07036604943	0.1270466423	0.08428744837	0.08357833249	0.06776125406	0.08484551132	0.0582687754	0.07178494248	0.03335453686	0.04782327835	0.0471109781	0.07258992797	0.0481449363	0.02450855407	0.04098684153	0.04536264752	0.07533482898	0.04729501508	0.07110047933	0.07069229389	0.04502432968	0.04677649494	0.03690353528	0.03982269398	0.05021448403	0.07265767258	0.05297219769	0.04444943184	0.0483151997	0.05845489581	0.04958803253
Glycodeoxycholic acid	0.052359509	0.08561677838	0.0472284068	0.03422383341	0.1570889917	0.1188200876	0.02941395365	0.04200264025	0.1238864828	0.02587121779	0.05389642376	0.04600738833	0.08068626889	0.0357620916	0.05460622433	0.04748528646	0.03777533471	0.1635375333	0.03343007927	0.1692654424	0.04248979131	0.01729254152	0.08820099006	0.1529977452	0.2843893583	0.2114675535	0.2505590126	0.1211340099	0.074746859	0.1747251379	0.2567017635	0.4614823635	0.05186783905	0.2091476793	0.09440745298	0.2237344657	0.4379118363	0.1364196595	0.1728761038	0.02264031038	0.1078164021	0.02108792285	1.091370585	0.1858597724	1.712314575	0.1090434885	0.07226151771	0.1963537702	0.2176202222	0.0311547887
Hexanoylglycine	0.02876490717	0.02476783603	0.003588458736	0.008240778066	0.01753800761	0.004135748565	0.006387054581	0.01589747916	0.01324309109	0.00768081565	0.0141990992	0.009675501127	0.01549170629	0.01443520436	0.008930515301	0.01916393727	0.01414000246	0.006506861375	0.00544755345	0.01209130108	0.1163587047	0.07509492061	0.08486175328	0.1672242361	0.04903157013	0.02197904137	0.02533251985	0.03297767051	0.03335779333	0.05760644883	0.1694232146	0.1245898627	0.0539064815	0.04884643554	0.04613346178	0.1116527386	0.09761923324	0.09191327386	0.1279675217	0.2360842457	0.1598436539	0.06293286122	0.04617132251	0.09869049882	0.05135920441	0.05888128437	0.02094382806	0.04138110159	0.2010123265	0.08595516735
Indole-3-lactic acid	0.04780650056	0.05872636025	0.03948211074	0.05196795382	0.03780661253	0.05363954306	0.05704859377	0.04584632854	0.02405051142	0.03745715139	0.04460318341	0.04924047799	0.05205748737	0.05094203105	0.0324076957	0.02966716049	0.0200398546	0.02747072973	0.01855335707	0.03524326574	0.0434502195	0.05194743325	0.04150532547	0.03779110712	0.0344584117	0.02545036722	0.02146592411	0.0197703181	0.03813096499	0.03039170798	0.05395690022	0.0255123239	0.009356245073	0.01463978611	0.02861153292	0.03270475077	0.03780016897	0.02055164008	0.04219780484	0.02114499054	0.02251952104	0.02138032554	0.02398319927	0.02396671689	0.02428312054	0.03844314081	0.01738654885	0.05378025883	0.0329093094	0.07746590024
Isovanillic acid	0.002472271418	0.001421937514	0.004111320201	0.005479916354	0.007406611813	0.003547185755	0.0005419811995	0.001242214744	0.0003609208586	0.001616485157	0.002803316675	0.00277997324	0.001419020567	0.0007576814018	0.0001841256988	0.0008922616808	0.0007384058389	0.001016616574	0.000840557665	0.001703014834	0.002549050289	0.0005444740103	0.002516446772	0.003823231065	0.001992847935	0.0005330512229	0.001782402493	0.0042181185	0.003961433563	0.003536215441	0.002611056669	0.0009566827075	0.0005302941488	0.0003284110196	0.001655075234	0.000676834534	0.001897786926	0.001734877562	0.002857008537	0.0004750921883	0.0006276025002	0.0004941277927	0.0006572117279	0.0003774395127	0.0004186250369	0.002629874205	0.002455301718	0.002800120511	0.004159202395	0.06778178507
Levulinic acid	0.103943117	0.1694799859	0.152864554	0.2290937921	0.1391185254	0.1696668079	0.1750925919	0.1385771261	0.1289366851	0.07941982638	0.3207968404	0.1179367391	0.1492759626	0.1169841744	0.1035133113	0.1255672147	0.1036547223	0.1591083042	0.07668425647	0.1837812042	0.1702919346	0.1613737783	0.134603327	0.1537775318	0.1201806963	0.08327743504	0.124044454	0.1236028868	0.07091156741	0.1494261543	0.1562365247	0.1541484082	0.1557835752	0.06150195894	0.09480111097	0.2282148466	0.1506718327	0.0912600979	0.2049940207	0.1132397664	0.1604687641	0.1118848416	0.1278336237	0.1264638359	0.10482444	0.08389046372	0.09987553483	0.1155877659	0.143453537	0.06473435829
L-Histidine	0.0330563829	0.03358190931	0.03523075602	0.03973551251	0.02755966136	0.04047340369	0.05131429752	0.04242831314	0.05637792573	0.02464983452	0.03915000725	0.0433039892	0.0533700892	0.0254082712	0.033596212	0.04116956479	0.0418181056	0.04192727278	0.03161426415	0.02688480418	0.03404189416	0.0489151902	0.02232232258	0.03891055804	0.04704715554	0.02268432317	0.02227090425	0.02841801557	0.01315140879	0.03976539336	0.02778798552	0.02850288351	0.009612753313	0.03169630765	0.02049028689	0.02303170824	0.0157222786	0.03176638129	0.03572133559	0.03013074424	0.01975774287	0.02767870847	0.03599980451	0.01936604418	0.01842116046	0.02335943919	0.01539957409	0.01441871589	0.02598193994	0.02055999156
L-Phenylalanine	0.03433079535	0.03929447267	0.06105569221	0.0417507128	0.03646249339	0.05153004333	0.04286595449	0.04220485501	0.04277900129	0.03417535198	0.06450686252	0.04340020927	0.05838663329	0.04685751954	0.03103648224	0.03901624489	0.04078817943	0.05188858982	0.04106266188	0.03892219045	0.05209998712	0.05466327674	0.03985646957	0.04279042918	0.04799826639	0.0315015124	0.04362883129	0.02566368127	0.02477556329	0.03295225162	0.04403275108	0.02593255451	0.04252027194	0.03040767045	0.03310206975	0.05092792866	0.03070327991	0.03849484633	0.03786064548	0.03070511748	0.03259270186	0.03459427176	0.04480678227	0.0353023063	0.03799529422	0.02801114916	0.0336543924	0.03234954956	0.03945688545	0.03323727571
L-Tyrosine	0.06082313632	0.0630099433	0.1282212313	0.07919471179	0.07582821658	0.07082011471	0.0749837805	0.0721393572	0.07048617774	0.05818988208	0.1173778697	0.07392096815	0.07546353711	0.05543925798	0.05257904993	0.03946406591	0.04535554698	0.08505855348	0.06613326311	0.04225896805	0.09133764631	0.06891553427	0.04491262315	0.0763701882	0.08418533517	0.0619869474	0.1049083754	0.03347816141	0.04576257738	0.06672484951	0.0864207456	0.04334206788	0.04722214868	0.05969869241	0.05513751957	0.07483313347	0.05483136875	0.05679629743	0.07312249923	0.03915058632	0.03824957446	0.04454457817	0.06516585586	0.08049790597	0.05452784059	0.03557583255	0.05740621261	0.04500143771	0.06587091237	0.04085538843
N-Isovalerylglycine	0.00938872811	0.01198396736	0.02310815337	0.02043984375	0.01161084317	0.01605948243	0.01952384484	0.01913577365	0.01223219936	0.01664531752	0.02528865843	0.02018506438	0.0211605103	0.01516381937	0.01056428563	0.01489975729	0.01024650552	0.0112944062	0.01024183815	0.02215517776	0.03056737785	0.02268539297	0.01585987982	0.0110475656	0.02351487717	0.01143773386	0.01032025987	0.01180046395	0.01026312396	0.01864583911	0.02411768714	0.01419009278	0.01489542602	0.0170434534	0.01987672689	0.02247438648	0.01504507316	0.02164766296	0.02147510837	0.0147015193	0.01889174586	0.01962175136	0.01204113077	0.01934968895	0.01927294946	0.02925109939	0.01905872168	0.01907334973	0.008196704713	0.01330174227
N-Phenylacetylglutamine	0.0171346525	0.03985226756	0.07943567172	0.02867870691	0.1450845701	0.05778851286	0.04524351426	0.126479541	0.1446270879	0.0318727365	0.0272572652	0.1249998899	0.08587929342	0.1312359404	0.05356515898	0.06573793837	0.06827508953	0.03603967585	0.07356924623	0.04271761216	0.07887828915	0.2056034692	0.01926874724	0.1902397939	0.03297698792	0.01293582597	0.08326732376	0.1195093295	0.09792782999	0.04040989609	0.009038009333	0.06135855159	0.06112231268	0.04046754145	0.05000713766	0.02395697795	0.09156898628	0.03182506393	0.008664671129	0.02327449885	0.07271629465	0.02609869239	0.0634523609	0.02911467636	0.03026356553	0.0266968877	0.07515673711	0.1065524617	0.2740806382	0.7965812007
Pantothenic acid	0.005162351877	0.006142116448	0.009356148876	0.007700881971	0.008106539946	0.006877504107	0.008627122661	0.004500534152	0.005511241613	0.007710264112	0.01106225455	0.008046692108	0.008618370129	0.005785439964	0.003925594666	0.003735121689	0.004636346809	0.004249173161	0.004493942667	0.005976706382	0.005056278586	0.005100731009	0.00547219067	0.004088367131	0.005645386217	0.005023648018	0.004782799671	0.002993826983	0.00375998844	0.00361656611	0.007693615083	0.00829437059	0.003885185579	0.003852131189	0.004211998225	0.01085088193	0.007982837288	0.005850732076	0.005332180868	0.007785263314	0.003368132116	0.006414096495	0.005683550508	0.00406579651	0.004268202874	0.007115137596	0.005677847714	0.007902919892	0.01232916132	0.007054229662
Succinic acid	0.0474624283	0.04759978818	0.07730271358	0.05820253347	0.05882783745	0.06265778069	0.04518082937	0.056251149	0.05314628631	0.04848907677	0.04974205256	0.06270084778	0.05837235759	0.04849795054	0.05027532944	0.05547392141	0.04821115078	0.04423950138	0.03950694715	0.04038133985	0.06760871926	0.0650587857	0.03484751483	0.04992088715	0.05625902537	0.03453163789	0.03981485422	0.04265237086	0.03236186807	0.05094057108	0.06680255568	0.03965610426	0.06153127635	0.05488882157	0.05371517419	0.04940636575	0.05299109224	0.0461761475	0.06950118757	0.04265691314	0.07361354356	0.0542152189	0.04469431494	0.04108123119	0.06798871815	0.05823301516	0.03617887552	0.04103168241	0.040590156	0.04601097316
Uridine	0.05284724747	0.07894576222	0.09226534964	0.1199482513	0.08458679871	0.09388954674	0.08106589263	0.04506346644	0.08951062828	0.07408133407	0.1137306312	0.04481773151	0.070141305	0.08565991179	0.09054901749	0.0705475424	0.07231381714	0.05468783914	0.07773855546	0.08245035132	0.07691364848	0.1005801295	0.09192548644	0.1305163988	0.05748027728	0.05322186079	0.07110166672	0.06985724073	0.06176504014	0.04993374523	0.0825167673	0.06370765697	0.06533906865	0.06847900432	0.0685353231	0.0815899444	0.08636160433	0.09693928095	0.1022319811	0.0667306537	0.1300690189	0.1005437113	0.04103328406	0.07398531725	0.07900901518	0.1001282718	0.07574244565	0.0971321457	0.1193274095	0.08889444809
Vanillin	0.002345629484	0.002619455373	0.005593931323	0.002558419578	0.002018787253	0.001787088439	0.002068653054	0.001457961328	0.002989258516	0.001808141033	0.02398050783	0.0009581973998	0.003568820251	0.002037011594	0.002205741133	0.004836082593	0.005722615107	0.0003914682711	0.003104084665	0.002669405566	0.002246035851	0.002259041901	0.001243239135	0.002174857735	0.001446339173	0.003386303789	0.002211347399	0.002164440713	0.001992486793	0.00155860193	0.003492499387	0.002523284141	0.001657512048	0.001989570677	0.00131870507	0.002292969598	0.002178086876	0.0023228621	0.004187117247	0.007123655333	0.00789422095	0.002325981601	0.02682975032	0.001980318	0.004584243225	0.002374560552	0.00734124488	0.002401514415	0.002513344671	0.005728483389
α-Aspartylphenylalanine	0.001865676314	0.003188374399	0.0009933428008	0.00577977499	0.00238933664	0.002585665899	0.01154009949	0.0088189553	0.006666473707	0.007970706614	0.02007009809	0.03280236284	0.01911555102	0.009585605247	0.005374090671	0.0169009272	0.02205101934	0.01778088751	0.008690734099	0.004729537534	0.01168568513	0.03148998822	0.02107009951	0.01575364853	0.003937666456	0.001601313965	0.001760141544	0.003839709146	0.01262879915	0.03331751031	0.01682056673	0.007971951851	0.02528522747	0.004025659919	0.01443425707	0.01041727421	0.009924665418	0.01712247636	0.005942773384	0.01097351562	0.02257089122	0.03051089122	0.00371244989	0.01222441218	0.004850108437	0.008257175928	0.01104104266	0.005941652574	0.01592555113	0.007128195754

metabolite_name	Molecular Weight	RT [min]	PubChem	KEGG
Glycodeoxycholic acid	449.31361	10.353	3035026	C05464
3-Hydroxybutyric acid	104.04724	2.108	441	C01089
DL-4-Hydroxyphenyllactic acid	182.05777	5.884	9378	C03672
3-Indoxyl sulphate	213.00942	6.679	10258	NA
Hexanoylglycine	173.10508	6.221	99463	NA
Succinic acid	118.0265	2.021	1110	C00042
2-Methylhippuric acid	193.07378	7.184	91637	C01586
Pantothenic acid	219.11043	5.406	6613	C00864
Indole-3-lactic acid	205.07367	7.523	676157	C02043
N-Isovalerylglycine	159.08937	5.508	546304	NA
Levulinic acid	116.04719	3.821	11579	NA
Capryloylglycine	201.13636	7.462	84290	NA
DL-Arginine	174.1114	0.88	232	C02385
4-Guanidinobutyric acid	145.08498	1.193	500	C01035
4-Acetamidobutanoic acid	145.07377	5.732	18189	C02946
D-(+)-Galactose	180.06317	0.906	439357	C00984
N-Phenylacetylglutamine	264.11063	6.513	92258	C04148
Uridine	244.06917	1.183	6029	C00299
Isovanillic acid	168.04214	7.735	12575	NA
(+/-)12(13)-DiHOME	314.24547	13.21	53394649	NA
3-Methylxanthine	166.04887	4.549	70639	C16357
3-Phenyllactic acid	166.06282	7.311	3848	C01479
1,7-Dimethyluric acid	196.05945	5.322	91611	C16356
L-Histidine	155.06934	0.88	6274	C00135
4-Hydroxybutyric acid (GHB)	104.04724	2.624	10413	C01991
DL-Tryptophan	204.08977	5.887	9060	C00525
L-Phenylalanine	165.07879	4.823	6140	C00079
1,3,7-Trimethyluric acid	210.07513	5.896	79437	C16361
Citric acid	192.02685	1.524	311	C00158
L-Tyrosine	181.07375	1.964	6057	C00082
α-Aspartylphenylalanine	280.10552	5.964	93078	NA
Vanillin	152.04714	7.243	1183	C00755