metabolite_name	DUKE-17570	DUKE-17571	DUKE-17572	DUKE-17573	DUKE-17574	DUKE-17575	DUKE-17576	DUKE-17577	DUKE-17578	DUKE-17579	DUKE-17580	DUKE-17581	DUKE-17582	DUKE-17583	DUKE-17584	DUKE-17585	DUKE-17586	DUKE-17587	DUKE-17588	DUKE-17589	DUKE-17590	DUKE-17591	DUKE-17592	DUKE-17593	DUKE-17594	DUKE-17595	DUKE-17596	DUKE-17597	DUKE-17598	DUKE-17599	DUKE-17600	DUKE-17601	DUKE-17602	DUKE-17603	DUKE-17604
ribose 5-phosphate	1.720426371	2.293510826	2.817730149	1.674935746	0.592959287	0.696025175	0.886235371	1.28238701	1.40040026	1.158006116	0.802213202	0.271617775	0.271617775	0.480438862	0.485342364	0.577311223	1.15129799	1.231747567	1.021097888	1.680844479	0.721497161	1.681933598	1	1.979184789	0.387127814	0.31238959	0.486158674	0.737356	1.160934401	2.283086302	0.633306029	0.37947931	0.99102552	2.662364001	1.195672004
homocarnosine	0.975890918	0.820314409	0.715264072	0.889484172	1.102234358	0.806865982	0.875092295	0.882340428	1.065586424	1.757020706	1.039287033	1.732471137	0.926317157	0.99244582	1.547564682	1.095153616	0.762335414	1.00755418	0.605117293	0.730736077	1.306435512	1.064698201	1.087991551	0.600966013	0.901345818	0.668893265	0.764162341	2.107781699	1.048388585	3.312467494	0.97922159	1.890440273	0.771901441	1.918960551	1.013099149
2-methylcitrate	1.362380452	0.538620373	0.735327036	0.783184238	1.621052169	1.806602414	1.194551538	1.01971326	0.898923248	9.567146265	1.049766953	3.815338657	0.285954534	0.957235468	1.823845729	1.403631073	0.914929276	0.285954534	1.086731629	1	0.886405698	0.560087131	0.747289022	0.306171273	1.160635519	2.196183507	0.396533744	0.745828352	2.048329431	1.026279331	2.496587333	1.582493718	0.927195664	0.586806283	0.855728153
alpha-ketoglutarate	0.971252736	1.426180986	1.085260457	1.335612933	1.472569322	1.058309521	1.23880311	0.946824708	1.473209944	1.391377694	1.107252205	1.027445729	0.749654214	1.880199478	1.002465603	0.758101369	0.898679958	0.715702148	0.608986098	0.725180586	0.879901019	1.54725885	0.833838681	0.997534397	1.773983127	0.816697085	0.847906607	1.859557541	0.941442079	1.737148374	0.835360631	1.231238064	0.599304637	0.826647015	1.263275511
3-hydroxyisobutyrate	1.209857773	1.254797055	0.636037712	1.314710386	1.005696959	0.91205279	1.082187081	1.033663301	0.704124693	0.796292457	0.994303041	0.759279189	0.405349329	1.799149169	0.867941424	1.201199268	1.521671126	0.367776277	0.413965497	0.575272609	1.326464502	0.882459178	1.084565995	1.264885259	1.16476796	1.103508931	0.963426562	1.240311893	1.13547944	0.836202421	0.791543703	1.411325844	1.200554475	0.706048655	0.899533592
3-hydroxy-3-methylglutarate	1.064414901	0.856549321	1.001900713	0.908542368	1.025840029	0.78479008	1.104087393	0.71477929	0.684970805	1.314705941	1.076768771	1.475835532	0.74466125	0.957834312	0.946666485	0.858582307	0.998099287	0.748134381	0.66145541	0.8921101	1.135612634	1.020880653	1.137380895	0.757495409	1.01973873	1.088273899	0.870222498	1.124909428	1.222362379	1.224634699	1.081560128	1.183273363	1.250053418	0.992790724	0.911410051
adenosine 5'-monophosphate (AMP)	0.540181424	1.815347784	0.469277858	0.357296603	0.712321128	1.065168078	0.604089807	0.82730166	1.045598721	3.396699723	1.217413364	5.617149561	0.189087794	3.533736164	1.283102545	0.475850798	0.406457928	0.618374406	0.302392752	0.394779181	0.758942954	6.802073556	0.548966791	2.111036902	1.86234963	2.336553004	0.521578538	1.069385832	4.091275188	10.39880257	0.45593158	4.238178075	0.434755013	4.825855975	0.954401279
allantoic acid	1.0867462	1.064954247	0.956140664	0.960018077	1.027280944	0.96784956	0.873849478	1.111323651	0.981670978	1.288599871	1.172390679	0.902081502	0.57593312	1.139232112	1.040711055	1.379409777	1.018329022	0.958680146	0.816361257	0.918019007	1.192679801	0.806026837	1.26136082	0.841650904	0.79610779	0.939828788	1.119250509	0.739228368	1.353840243	0.967601762	1.189440601	1.21291544	1.170569632	0.784377501	1.170693531
ribose 1-phosphate	0.678296493	1.329734436	0.948608517	0.7269971	0.555613703	0.638400783	0.741134626	0.849161582	0.617449936	1.000707815	1.410213366	1.325877477	0.568331888	1.151464361	1.344213862	1.008335495	0.661331636	1.107950104	0.639976447	0.819579843	1.122978622	1.173369733	1.243253487	1.534706303	0.525133332	1.131583751	0.999292185	1.263163135	0.867240779	2.17406161	0.801934462	2.080126333	0.83613643	1.662412789	0.688439514
phenylpyruvate	0.476180378	1.079392086	4.036978041	3.112485842	0.70280856	2.81592931	1.544429781	0.959746386	0.807204014	0.718297052	1.148499673	1.040253614	0.63004745	1.118413306	1.575396786	0.605952161	0.289172151	2.19904028	1.147459373	0.494621376	0.176517915	2.769597302	0.491454324	1.564307739	0.492898769	0.500706007	0.582075161	2.258050473	0.549232124	3.918933955	0.706826312	1.890304506	0.318044835	1.207543545	0.712453162
succinate	1.012093865	1.144254867	1.105987436	0.252413665	1.001833828	0.822837791	0.917887747	1.132111879	1.007940993	0.903057951	0.882230938	1.048081679	0.618455301	1.130880483	0.678773281	1.070029161	0.632017063	0.755762154	0.693179636	0.953949072	1.331112739	0.98899775	1.118628318	0.65390203	1.623182639	0.959647763	1.64937329	1.033488882	1.535253183	0.863410157	1.516870861	0.816622006	0.706509309	1.238681212	1.192170888
3-hydroxybutyrate (BHBA)	0.973063014	1.396382599	1.065071353	0.488743986	0.85909661	1.065612153	1.026936986	0.608864352	0.54181574	1.727156974	0.34423844	1.207592654	0.590427791	1.199760401	1.159929343	0.733950291	1.115164087	0.75065735	0.827952045	0.539386691	0.812451963	1.387836639	1.219358217	0.639587005	1.268641435	1.122912756	1.246114937	1.178918868	0.922317139	1.193747284	2.103354049	1.593029747	0.530970037	0.970643383	0.967783065
cytidine 5'-monophosphate (5'-CMP)	0.877412443	0.775344046	0.603955501	0.575121549	1.944356544	0.69030353	0.947729707	1.443293504	0.691740146	1.608402692	0.829020739	1.704087351	0.633841505	1.77372339	0.954017305	0.957228403	0.910921577	0.734022799	0.5978025	1.042771597	1.705164126	0.621519022	1.118129378	0.563359429	1.796808131	1.103367669	1.323834638	0.82443071	1.906688642	1.144482901	1.092072518	1.431237467	1.384617498	1.084875704	1.831053427
glucosamine-6-phosphate	0.867227946	1.637668111	1.83977737	1.722779379	0.985876178	1.061534222	1.015064947	1.103729476	1.003276707	0.504218884	1.054819188	0.289206995	0.2809463	0.62693068	0.767563761	1.081713558	0.996723293	1.367177786	1.072701818	1.420734517	0.986911054	1.376774503	0.858448455	1.248819674	0.476152255	0.602649305	1.103391727	0.52458554	0.923840815	0.869307108	0.744423123	0.509251399	1.418264984	1.199690786	0.99627273
glucose 6-phosphate	0.86972497	1.621246994	1.884279129	1.707830205	1.002181276	1.095848828	1.074923021	1.102924349	0.998485482	0.492473659	0.979398046	0.260227254	0.379239914	0.637195115	0.814379714	0.985381612	1.001514518	1.383018931	1.175975639	1.589809511	0.898339525	1.378815882	0.822060646	1.144854339	0.455938852	0.674131585	1.008155439	0.601984612	0.884225583	0.972115836	0.709778172	0.457637266	1.324093007	1.163877444	1.008427275
fumarate	0.738467925	0.720842568	2.183833047	1.767327082	0.988920165	2.033088842	1.69403293	0.715848975	0.751158407	1.091937986	0.66598601	0.818668389	0.824641889	0.756295955	1.596877532	0.803774328	1.574491541	2.579249298	2.294832931	0.78189058	0.862805422	2.424482139	0.474096086	1.913940771	0.447554749	0.812608566	0.78147806	1.788103786	0.37017882	1.895690626	0.547389968	1.264316911	2.201535948	1.690667394	1.011079835
gluconate	1.341368239	2.718514284	1.433001768	1.128766264	1.245172023	0.568828047	0.37549628	1.18752125	1.272882326	0.46423629	3.031762961	0.509387438	0.498603194	1.381237658	0.440367012	1.200778144	0.858895645	0.552201399	0.326111448	1.124858794	1.485289475	0.887381454	1.130810705	1.112618546	1.133460381	0.52240322	2.207883194	0.486484347	0.885258991	0.483452428	1.520589168	0.638700782	0.788516719	0.492694838	1.529221112
glutarate (C5-DC)	0.861403097	0.714225011	1.649615013	0.858479559	1.040563156	0.991185534	1.163211266	1.008814466	0.9817703	1.317785679	1.087161715	1.466415815	0.848559985	0.795816561	0.96349675	1.375814624	1.032423684	0.984286258	0.765827429	0.696187173	1.240794162	1.189706026	0.874415207	0.721407054	1.299195563	1.326542156	1.096940789	1.123067952	0.866609532	1.438196623	1.082598795	0.913857128	1.209637294	0.675329182	0.942158057
myo-inositol	1.216101337	0.641142968	0.703728247	0.515370307	1.152162613	0.705917447	0.700315464	1.38879871	1.319477813	1.207448508	1.170635194	0.789801867	0.609858531	1.564422623	0.731426772	1.717659464	1.383724171	0.647741742	0.592133108	1.244456406	1.816317293	0.619136139	1.212325325	0.529188099	1.12628751	0.912052772	1.304716631	0.649332112	1.087947228	0.821947431	1.462524317	0.820942751	1.318290415	0.666633966	1.492756265
inositol 1-phosphate (I1P)	1.233318598	1.453495789	0.895596515	0.733659463	1.585550664	1.01504923	1.109950131	1.446036206	1.55978737	1.232441773	1.070398772	0.894873134	1.627565168	1.10656778	1.060248068	0.882441956	1.061170195	0.60898745	0.98495077	1.621987103	0.680569205	0.86886506	0.732342765	0.806742049	3.52076576	1.501796394	0.884288402	0.909080613	0.957749484	0.556706063	1.111825804	0.652632848	0.854512175	0.578970827	1.290687028
2-aminoadipate	1.816844245	0.737088625	0.644887903	0.66146138	1.473968815	1.903001356	0.917148343	2.30301925	0.814993899	1.146192092	0.938560053	0.887787617	0.629160944	1.970551771	0.716223563	1.953641062	1.061439947	0.849097489	1.94547673	1.280036417	1.121259612	0.71843867	0.77405917	0.620533533	1.159261513	1.218800972	1.649056589	0.700653914	2.025820292	0.545968123	2.181092058	0.899471737	2.043450689	0.692914315	1.340914968
methylmalonate (MMA)	0.528244042	0.970605875	1.690943319	1.151172928	0.784472092	1.360721408	0.97102567	1.116094862	1.319051296	0.660013814	1.27427735	0.682850416	0.470260485	0.901728987	0.589833348	1.295208341	0.992529663	2.006628779	0.966263151	1.007470337	1.183030722	1.384320045	0.536097262	1.026708409	0.823238472	0.606997924	0.972041897	0.73199981	1.195028905	1.054890961	0.842642449	0.79506064	1.475159987	1.117842041	1.126065661
orotate	1.657081628	0.976186224	0.368575557	0.701428236	1.413913975	0.368575557	0.49851745	1.388537213	1.514857228	0.368575557	1.360211586	0.46363584	0.719059433	0.97001988	0.368575557	1.413657167	1.21792815	0.368575557	0.368575557	1.113613923	1.69993019	0.397842813	1.235937179	0.653912854	0.368575557	0.51603943	0.368575557	0.368575557	1.072506933	0.44962357	0.785779331	0.368575557	1.619962541	0.379751132	1.023813776
lactate	1.04142434	1.149064484	1.004393406	1.170055757	0.98781718	1.041994717	0.906116242	0.969945963	0.879830669	0.94609688	1.051824934	0.974337382	0.582077254	1.034937196	0.827411755	1.045474077	0.995606594	0.995386316	0.847060222	0.872060556	1.123733915	1.054123366	1.101654615	1.170110954	0.903238414	0.773094495	1.063442638	0.932240372	1.017005711	1.125340001	1.042742065	1.071666434	1.005204977	0.991496343	0.96218275
salicylate	1.002018039	0.399069794	1.02904774	1.179506482	0.862589592	1.106807611	0.882091409	0.941918656	0.84503513	0.399069794	2.080050045	0.490464679	0.867996946	1.242507457	0.523679263	2.564089515	1.122255679	0.644489447	0.764440816	1.205140167	1.031807965	1.336319748	1.62238998	0.737266211	0.978158531	0.748748887	1.016299815	0.699757553	1.043644062	1.263005923	1	1.339426326	0.665351937	0.583881137	0.903819783
glucose	0.972860464	1.355020626	1.713667652	1.578384076	0.944838365	1.031479555	0.94223978	1.060881142	1.141697662	0.645170972	1.150226474	0.467398303	0.575606227	0.940303843	0.705738394	1.022898955	1.039637027	1.054312133	0.846895351	1.01478448	1.081716819	1.330978023	0.9652277	1.198121882	0.627781827	0.535757568	1.189106885	0.763162473	1.154095188	0.860039238	1.019200856	0.777176939	1.256232524	0.950165633	0.98521552
mannose	1.011435974	1.590452432	3.083619799	2.071473231	0.806400591	1.033842354	0.926388166	1.122789225	1.390507762	0.601124362	1.252918338	0.268318009	0.686562606	0.7849803	0.656100945	1.07229988	0.949661194	0.988564026	0.79590718	1.233269231	1.027868249	2.001369335	0.877923765	1.279699932	0.65379288	0.49143499	1.302754482	0.712208436	1.058909555	0.904980232	0.916377224	0.527220823	1.358415141	1.062168281	0.945359941
malonate	1.343876416	0.893270819	0.826213918	1.300040873	1.345728243	0.993943336	1.206231249	1.032159889	0.986336957	1.437555323	0.882949252	1.064868911	0.752145937	0.944537518	1.025655475	2.131378592	1.143101686	1.132196553	0.88313659	0.636305298	0.848265339	1.061302477	0.99784555	0.939265403	0.762665555	0.726613909	0.838916297	0.643282839	1.00215445	1.098796204	1.024014579	1.108691829	0.893163441	1.152226535	0.729737057
pyruvate	0.759440241	1.040457273	1.109236498	1.136284326	1.081973001	1.064447628	1.35142855	0.829567407	0.855459001	1.221276072	0.729625925	1.421585671	0.905108589	1.271761384	1.107590299	0.825853509	0.959542727	0.847818529	0.806413204	1.11153784	0.836144504	1.123691561	0.899249539	1.138005839	0.862600521	1.293826537	0.876955451	1.707112528	0.825516737	1.188924632	0.871507201	1.086113961	0.92778053	1.099392678	0.927227232
arabinose	1.777018321	1.311658972	0.570972607	0.913220141	1.528207815	0.932906239	0.536418871	1.103766915	1.772074187	1.288088742	1.855679911	0.937995426	0.284978618	1.700376903	0.365625143	1.289933323	1	1.390460916	0.453246544	0.930383374	1.110148659	0.660503774	1.512777583	0.284978618	1.162441729	0.42167491	1.931142113	0.312948593	2.159920039	0.910101795	2.53986432	0.614817368	0.605372481	0.560789535	1.672180834
uridine 5'-monophosphate (UMP)	0.394690945	2.825254864	1.432437763	0.736971327	0.858501339	0.475603679	0.538115358	0.437202832	0.394690945	1.217594419	0.394690945	1.621867409	0.394690945	0.945507963	3.280869132	0.394690945	0.394690945	2.24331437	0.610722962	0.609591388	1.189180491	0.692533688	0.523903204	1	1.117008907	1.361460042	0.394690945	1.116007101	0.737064759	2.251048523	0.394690945	1.378433652	1.359253992	0.971191579	0.986151195
fructose	1.150014346	1.520738736	2.150060236	1.399378754	0.918652932	0.922145352	0.773714046	1.278079036	1.412953454	0.515980924	1.404299634	0.318657563	0.367025589	0.936260311	0.496262654	1.242818111	1.083553559	1.027677938	0.673767524	1.150652812	1.225388526	1.667978651	0.909605625	0.949811725	0.556277832	0.382086237	1.53024496	0.481279059	1.221744056	0.899898095	1.021720126	0.513041486	1.682168139	0.978279874	1.057739089
maltose	0.608776443	1.712239713	4.378774719	4.076003423	0.814570146	0.49923381	0.450932148	1.113941758	1.46026438	0.508880126	2.941875245	0.120808869	0.311415697	0.613626697	0.458978604	1.134126485	2.949099299	1.578609953	0.519561054	0.904036698	1.965538862	1.172929038	2.053707653	1.344381843	0.132750822	0.223284684	1.095963302	0.250986445	2.241610703	0.544586265	1.707229487	0.468521484	2.209267904	0.495190716	1.193040943
ribose	0.902682463	0.922117546	2.813325686	2.174345203	0.862315622	1.927541347	1.339459706	1.008431533	0.953070481	1.238100991	0.940080031	1.01468109	1.435300022	0.819874866	1.318253991	0.936029905	0.804950697	1.607760875	1.352664869	0.867404519	0.884049616	2.300680772	0.82221564	2.201824181	0.582283182	0.851199094	0.991568467	1.379542418	0.972690619	1.174847114	0.980312666	1.274405723	0.740646771	1.670855252	0.819445364
sucrose	3.981142898	1.629204385	0.999652481	7.722551934	2.320331189	2.073083502	8.784521588	0.413054554	0.287023385	1.10946499	0.339795605	1.255169761	0.506422346	0.287023385	0.451865298	1.543394278	0.355747722	0.305883861	1.32901578	0.307715925	0.287023385	0.860803611	0.287023385	1.000347519	0.611227888	0.287023385	0.287023385	0.287023385	1.208278366	0.321468216	0.489805558	1.170979159	1.14333962	0.287023385	0.855175834
allantoin	1.183240624	0.967761074	1.522178644	0.954006738	0.928766787	0.897371662	0.959248793	1.182313187	1.014676404	1.224996847	1.268534221	0.801586659	0.517668186	1.015399534	0.848789451	1.169061428	0.912466043	0.985323596	0.856274138	0.808152857	1.254498274	0.961515242	1.120823194	0.855406932	1.043061092	0.800188103	1.071981055	0.68235972	1.165738679	0.967182983	1.246841702	1.026923491	1.047729875	1.016637287	1.051902344
glycerate	1.048881596	0.897671079	1.088453842	1.909980249	1.001868574	0.959899612	0.516690941	1.144605832	1.078505205	0.419109867	1.554278853	0.631354208	0.574226154	0.837915147	0.37014614	1.278906984	1.045613198	0.550030772	0.561766304	1.257107072	1.38110569	0.80258374	1.244434169	1.896864959	2.855638347	0.49541605	0.874108335	0.365704018	1.04714575	0.616596767	0.775729971	0.444093277	1.402356354	1.061147564	0.998131426
N-acetylalanine	1.1015599	0.941723872	1.17267096	1.4548178	1.20441093	1.070320812	0.685339558	0.991052539	1.060305117	0.673494768	1.010636089	0.759866838	0.521372699	0.967729023	0.582987201	1.024667444	1.023449084	1.097440937	0.850918018	0.865523435	1.146769767	1.285583116	0.956862588	1.112702111	1.151227454	0.609558229	1.22076776	0.661437068	1.00421629	0.927196956	1.216043219	0.84208794	0.964030478	0.99578371	1.039298073
acetylphosphate	0.998694104	1.317673456	1.008093515	1.734953815	0.650786766	0.669825336	1.124487095	1.333533907	1.001305896	0.690304886	1.108377217	0.47820218	0.507853006	0.724891709	0.807624277	1.230337275	0.970042921	1.046322191	1.066318372	0.823665024	1.277303635	1.383755536	1.004489269	1.029076342	0.735965487	0.908915918	1.342594297	0.593513436	0.997017524	1.032057297	0.73199678	0.661889856	1.375120168	0.775443787	0.779285292
N-acetyl-glucosamine 1-phosphate	0.721760185	1.45739482	1.205722156	1.360215914	0.704264961	0.64360478	1.306344129	0.722844196	0.696170421	0.965218357	1.013119197	1.163685637	0.64009063	0.763738949	1.358852015	0.996010485	0.795264117	1.244106802	0.544506642	0.931742858	1.155204585	0.82514994	1.050095517	1.206592918	1.003989515	1.288244702	0.841858812	1.197520992	0.853622995	1.9357768	0.698271802	1.28445955	0.544506642	0.544506642	0.858514372
N-acetylglucosamine 6-phosphate	0.804751179	1.00470065	0.822726105	1.013563495	1.147829756	0.834306752	1.432766068	0.844688843	0.937262564	1.34951624	0.756683073	1.082081896	0.775882074	0.946915655	1.162602013	0.99529935	1.251475439	0.80791727	0.880708449	1.086766385	1.142265703	1.026862439	1.01828456	1.018570376	0.972838985	1.125884881	0.788925826	1.256299433	1.087720806	1.435478767	0.731930227	0.978221	0.846476043	0.95779112	0.829858742
beta-hydroxyisovalerate	1.10730403	1.235579383	1.088471587	1.072388961	1.26764914	1.084126487	1.127900713	1.151718574	1.140978866	1.188557045	0.937365172	1.158339679	0.708864789	0.92898962	0.855955445	0.914924668	0.890149391	0.958187129	0.752722269	0.804416601	1.116426415	0.902032611	1.030617717	0.955145926	1.4947134	1.028866944	0.921369472	0.852713454	0.918815547	1.146356066	1.010389553	0.955016149	0.989610447	1.037983207	0.89594041
methylsuccinate	2.383712233	0.888025131	1.038565379	0.992573303	1.149505071	0.741788138	0.809974902	1.179209105	1.820665544	1.007426697	1.264913315	0.909807263	0.531368033	1.540325802	0.789152187	1.813245735	1.092547544	0.612541703	0.807440334	0.788074307	1.204616771	1.980782052	0.970591436	0.856593734	1.440381177	0.767250214	1.593092338	0.773731958	1.899524355	1.448525543	1.449049675	0.92257997	1.500000689	0.830716346	0.808257182
ethylmalonate	0.850337592	1.140325849	1.032445799	0.500855078	0.781397908	1.163152635	0.972285607	0.732256922	0.9987885	1.128443747	0.632666294	1.197210958	0.559310785	0.991154307	0.91260393	1.151364455	1.898731283	1.404349622	0.839304075	0.921088723	0.962455162	1.775698605	0.974781858	0.62965962	1.123112448	0.901698893	1.097026586	1.131724555	1.056404845	2.444642053	1.0012115	1.412644875	1.027243404	1.313995801	0.897082716
suberate (C8-DC)	1.965307967	1.751368707	4.145285845	1.835949815	1.23642891	1.640226274	1.290714534	2.319532282	0.944711943	0.880080903	1.963454793	1.508979553	1.209025693	0.677404797	1.416970578	0.751344689	0.806252252	0.762367664	1.104456594	0.864863635	1.151966628	1.82367285	1.991485005	1.055288057	0.820076478	0.485155011	0.554566887	0.550959138	0.618487501	0.739467181	0.774260342	0.678747274	0.663542648	0.655411939	0.752644187
2-ketogulonate	0.751187501	2.634940116	0.725765906	0.434664297	1.930295626	0.434664297	0.434664297	0.434664297	5.630625127	0.434664297	2.076338831	0.434664297	0.434664297	0.434664297	0.434664297	0.434664297	1.047975787	0.434664297	0.434664297	0.461894448	1.15272209	0.434664297	1.502091779	0.434664297	0.700205476	0.434664297	1	0.434664297	0.434664297	0.434664297	0.834769812	0.434664297	0.434664297	0.434664297	0.568464116
glucuronate	1.083221972	1.294429308	0.839141666	0.87173669	1.101054466	1.005210304	1.096707835	1.325687994	1.163273478	0.919761626	1.303358118	0.738509614	1.017020642	1.060073962	0.693036439	1.092251282	1.192990115	0.687567033	0.794527453	1.089817294	1.237277702	0.876164977	0.956736258	0.959586379	0.840361801	0.835537794	1.166211537	0.609443873	1.208324239	0.846569255	1.083339745	0.744680951	0.994789696	0.613397926	1.033912518
glycerol 3-phosphate	0.786541816	1.253264697	0.309115721	0.203944224	1.757500573	0.668277363	0.702376253	1.474853488	1.178352378	1.050226143	0.990099425	2.439631961	0.813252994	1.172404723	0.548177779	1.009900575	0.434133705	0.389505677	0.466678338	1.028468127	1.123878297	0.828749702	1.346549477	0.628130761	7.317840987	1.616126077	1.139211239	0.640019858	1.470853579	0.982568434	1.096056973	0.793080165	0.267073584	1.036922103	1.30591845
maltotriose	1.111699277	1	1.945267011	5.541241576	1.17418582	0.270671181	0.270671181	0.505911942	0.820921539	0.270671181	1.137266534	0.270671181	0.270671181	0.270671181	0.270671181	0.735224727	8.286084375	1.432662046	0.270671181	0.270671181	1.179373943	0.49340318	0.766151901	0.444907393	0.270671181	0.270671181	0.270671181	0.270671181	0.270671181	0.270671181	0.818576003	0.270671181	1.912889911	0.270671181	0.741819256
ribitol	1.22818727	1.007685836	1.180891871	0.71572057	1.398131283	0.509151855	0.446950088	1.342094554	1.067475325	0.754892869	1.167041975	0.904835644	0.520719249	1.242579423	0.508759265	1.510388319	1.536303847	0.55219593	0.470664306	0.992314164	1.531749929	0.835156074	1.107201294	0.656533336	1.446970305	0.58798067	1.481352285	0.702230657	1.185281123	0.515976862	1.658646933	0.647725487	1.329762522	0.46262403	1.283164917
quinate	1.378720992	0.435943066	0.435943066	1.376902077	1.773943309	1.409790022	4.651046941	0.435943066	0.435943066	0.797536763	0.435943066	0.709511122	0.435943066	0.435943066	0.525672917	1	1.101970655	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.435943066	0.92752526	0.435943066	0.435943066	0.617208572
maleate	0.576550048	0.955709199	1.621488138	1.782572273	0.980290401	2.019249756	1.646676248	1.017538252	0.631808904	1.134465635	0.958568987	0.985782041	0.689346234	0.878055384	1.735374686	0.908018119	0.942215979	2.244680387	1.746378817	0.643475991	0.850428383	2.918709032	0.61713077	2.823014094	0.483424737	0.940231636	0.679927943	2.052583645	0.340808691	2.91630324	0.50080467	1.684625339	1.657041035	2.02705341	1.014217959
N-acetylaspartate (NAA)	1.288326979	1.14929316	0.37716766	1.21267056	1.296102865	0.659347883	0.56684638	1.082361538	0.866537412	1.000319609	0.853573025	0.786101538	0.430392128	1.361923483	0.764120396	1.383540584	1.91278311	1.872447894	0.68353349	0.946398142	1.863935152	0.672357084	0.932651894	1.036504482	1.615799603	0.504504278	1.593122033	0.905307	1.325141345	0.78637538	1.354670299	0.999680391	2.448834494	0.675720608	1.319444635
erythritol	1.166501515	0.673383539	0.529883904	0.529883904	1.457822429	0.529883904	0.529883904	0.926688701	0.833651916	0.572413088	0.891562568	0.703014921	0.529883904	0.956742018	0.529883904	1.211511169	1.067647134	0.529883904	0.529883904	0.663046119	1.043257982	0.529883904	1.119561187	0.529883904	2.44085231	0.529883904	1.295767219	0.529883904	0.529883904	0.529883904	1.111752183	0.529883904	0.612912506	0.529883904	1.132868139
ribonate	1.075588559	1.486398326	1.616406776	0.982517265	0.904569434	0.839005111	0.600912676	1.090725308	1.095549871	0.557825361	1.792630228	0.64880223	0.445979323	0.859415784	0.423305419	1.173210147	1.017482735	0.749236034	0.538908722	1.046821097	1.165518607	1.108424333	1.069964106	1.128199427	0.894098891	0.525423448	1.262961539	0.403940531	1.106540035	0.598875774	1.187699753	0.541416144	1.282619836	0.856487651	1.02625818
threonate	0.824715698	0.922251401	1.302887711	0.901809027	1.347894231	0.986145551	0.895157867	0.512776225	0.826535498	1.350153322	0.838473409	1.314220044	0.471217668	0.819488031	0.816141393	1.264777117	1.347875729	1.369535493	0.785282963	1.083547728	1.283024849	1.016614624	1.330752163	0.872135891	0.963415413	0.872360418	1.45886813	0.860028679	1.053396662	0.884790928	1.076164442	1.013854449	1.45714296	1.418019134	1.306245771
glycerol 2-phosphate	1.212389756	2.078162877	0.23416971	0.348167135	1.703508305	0.603141375	0.737648158	1.314654946	1.028775868	0.631813763	0.734387696	0.721620663	0.23416971	1.406741794	0.326127633	1.038760821	1.375236434	0.269363022	0.447772385	1.173057251	1.024504357	0.497707329	0.975495643	0.420324791	1.403878287	0.539224784	1.595302356	0.23416971	1.437935018	1.067762309	1.269812566	0.411703736	1.094422778	0.589441328	1.524746093
3-hydroxyglutarate	0.753230875	0.965744073	0.601678756	1.002012761	1.21464648	0.56849616	0.932044989	1.151893786	0.698698541	1.173940492	1.000635181	1.247461017	0.90433508	0.882782399	0.999364819	1.338776369	1.058443072	0.923994276	0.491045312	0.87960492	0.882993821	1.139085791	0.843230997	0.764653763	0.982666137	1.162978333	0.864395704	1.101476358	1.109176787	1.272551807	1.169505739	1.231152915	1.954659759	0.826374882	1.009422244
2-hydroxyadipate	1.093197815	0.725852225	0.985831288	0.93925213	0.943322314	1.177574489	1.246806341	1.360091493	0.704342158	1.775235799	0.892884665	1.504817692	0.643754607	1.007518972	1.437188511	1.420445149	0.965570725	1.268539461	1.204879264	0.709517792	0.868868876	1.454911857	0.460611818	1.314070481	0.947119879	1.574820416	0.84039411	1.586621523	0.803687071	0.862648201	1.044146497	1.886610551	1.653071419	0.841251725	0.981512753
3-hydroxy-2-ethylpropionate	1.595658955	0.665118468	2.004009116	3.218154531	0.695792127	1.004853279	1.454469707	0.563347913	1.047549756	1.000934731	1.399413803	1.464549101	0.467309519	0.970490509	1.128385663	0.864352343	0.60474324	0.362408352	0.892435775	1.02820683	1.590433972	4.810326643	0.999065269	3.056537058	0.532143681	1.22838638	0.763983319	3.139310352	0.790315782	0.919552401	0.625243919	1.157792134	0.691063001	2.374505889	0.702430715
4-imidazoleacetate	1.8919892	1.454749637	0.65134667	0.366627842	1.864744555	0.416698075	0.289907088	2.377397473	2.404428947	0.272311098	2.007435884	0.517819294	0.184664279	1.82351487	0.192319819	2.285719033	1.587870933	0.288697764	0.320521955	1.484217591	2.362764003	0.528630262	1.34865333	0.336119966	1.68542497	0.290266157	2.233323364	0.283019128	2.065253249	0.51778444	1.744975266	0.555052211	2.775246465	0.316432786	1.93931657
sebacate (C10-DC)	1.03443266	1.0242074	1.119610793	0.969722185	1.173745644	1.072456538	0.740084163	0.982451397	0.978210865	0.918340728	1.322400366	1.017548603	0.500502694	1.270573338	1.453662624	1.12167679	0.851311004	0.497048575	1.514479121	0.866117638	1.128527905	1.223356247	1.041744578	0.792828989	0.879976008	0.670070644	1.322270884	0.429575185	1.2825447	0.833215911	0.747814993	0.56331664	0.384406954	1.228861131	1.103842565
alpha-hydroxyisovalerate	0.822279151	0.862227402	1.702441864	1.056249198	1.088503221	0.678300868	0.989196397	1.099907374	0.946299757	1.373009074	1.036948767	1.26108463	0.566349826	0.765134027	0.873362544	0.909489346	0.898478793	1.070271601	0.56983997	0.871123197	1.11168553	0.948010648	1.224956195	1.087010478	1.317302564	1.124323914	1.25184353	1.300282543	0.995226163	1.361754941	0.776073653	0.933841025	1.348498041	1.004773837	0.932960498
erythronate*	1.158342343	1.016517631	1.001939512	1.124486082	0.963773725	0.701218642	0.697134233	1.021698569	1.168080943	0.730168412	1.300756358	1.063198936	0.622926576	0.887468634	0.524237149	1.259809023	1.273017077	0.702000332	0.567816999	0.858297887	1.256679402	0.998060488	1.187477534	1.095106003	1.493690949	0.694145017	1.239690345	0.735989144	1.150809469	0.910438135	1.157034819	0.824250111	1.133900558	0.81163819	0.944524736
cytidine-5'-diphosphoethanolamine	0.517997198	0.517997198	1	0.517997198	0.517997198	1.017626285	1.104838352	0.801387277	0.517997198	1.371343973	0.517997198	0.593023035	0.517997198	0.517997198	1.280936349	0.517997198	0.831136388	1.08856257	1.459849479	0.859864696	0.900455874	0.517997198	0.517997198	0.517997198	0.74829285	0.917682714	0.517997198	1.111007551	0.710491444	1.566716756	0.517997198	1.121044389	1.116555393	0.882303337	0.517997198
adenosine 3'-monophosphate (3'-AMP)	0.847713003	0.931849215	0.878546052	0.697124618	0.997640275	0.769801046	1.732121096	3.849490757	2.306523651	1.002359725	1.872708305	0.943490475	2.190880026	0.900501559	0.444031678	1.957520723	0.282595664	0.606582308	0.316995631	0.680905997	1.180033501	0.866921357	1.081115558	1.389055302	1.113557769	1.093801126	1.021418445	0.521683019	2.368727363	1.910018495	1.999526619	1.366109598	0.241047504	0.657301389	1.692328051
gulonate*	1.110190941	1.012694281	1.297248105	0.964204695	1.320978288	0.803476666	0.68723532	1.032780752	1.497849173	0.9108338	1.157323776	0.908750609	0.580321994	1.297778832	0.803046098	1.642174163	1.239711404	0.734389454	0.568469854	0.924156665	1.256002772	1.092907194	1.023160314	0.900082833	1.22156652	0.966082387	1.249483232	0.80651482	1.36484387	0.894487748	0.987305719	1.169627207	0.921121964	0.689241952	1.230413892
cholesterol sulfate	0.784664948	0.645963678	1.112257949	1.110225442	0.908060201	0.560508541	0.849380224	0.697391617	0.560508541	1	1.005537543	0.873424635	0.694840614	0.818360307	0.68410428	0.95900421	1.09471894	1.919805875	1.094055265	1.084383577	1.425602666	1.350697205	0.77446785	0.842065967	1.383369398	0.74133938	0.836390158	0.656174602	1.161314631	1.037670499	0.706130011	1.222414258	1.400313863	1.209949602	1.09225781
sedoheptulose-7-phosphate	0.935190084	0.668132349	0.881476413	1.255853375	1.312117173	1.381085953	1.851129964	1.096615451	1.184180076	0.942265263	0.818821475	1.601490974	1.020051633	0.735667706	0.8802821	0.898502894	0.850452521	0.859469953	1.25956772	1.136403958	0.603416736	1.09142254	0.80567682	0.928434198	0.979948367	1.505965741	0.670216212	1.216100321	1.190222755	1.366518388	0.745962418	1.045303804	0.69908389	1.203850473	1.053050759
adenosine 2'-monophosphate (2'-AMP)	1.915275219	1.125835661	0.822584751	0.920479597	1.423599901	0.750354278	0.734993653	1.142474627	0.733224926	0.348128132	1.031393541	0.742872687	0.358960521	0.775664341	0.969338443	1.107475211	1.03685043	0.661753653	0.795269498	1.180091317	1.140008064	1.121915144	0.789713762	1.050288025	0.904361056	0.448717276	1.080030044	0.611400543	1.030661557	1.053656281	1.251525876	1.140811681	1.269274757	0.914559025	1.36556237
N6-acetyllysine	1.266925995	0.911471097	0.985755578	0.587243586	1.526156085	0.75415479	0.587243586	1.028912618	0.913510013	0.764065517	1.290529438	1.051020857	0.951481812	1.179972255	1	1.502832493	0.68310059	0.95687894	0.767491694	0.762178521	1.112955907	1.47710618	0.74092183	0.891397776	1.71084583	0.906269864	1.54750073	0.948559366	1.380361648	1.205302779	1.872903615	0.793241995	1.48394654	1.193752923	1.190330744
mannitol/sorbitol	1.014150817	1.663147844	2.487740028	1.067434449	1.239658191	0.76251888	0.702027552	1.556621659	0.966049675	0.985849183	1.050549163	0.745145045	0.43131832	1.147968848	0.654645511	1.671723057	1.24829182	0.612951815	0.623347202	0.984202775	1.45809029	1.676300017	1.144301798	0.808447219	0.724937188	0.515922192	1.543707507	0.959921059	1.371298529	0.880440075	1.683298204	0.84568787	1.789333736	0.824095069	1.303748907
N-acetylserine	1.179118092	1.182823061	1.098295096	1.718014028	1.130180122	0.826189811	0.544164865	0.826658104	0.896774781	0.747210975	1.052826388	0.78097992	0.465987294	1.032526447	0.728371265	0.891426108	0.976203623	0.999116658	0.747143079	0.775111101	1.000883342	1.193294505	1.068420066	1.227128205	1.038661508	0.553427197	1.256186825	0.978609574	0.919086872	1.22208585	1.317866847	1.010724315	0.961901134	1.04328435	0.876705048
2-hydroxyglutarate	1.092180137	0.729257866	0.940951156	0.358885538	1.263732078	0.327310433	0.66065148	1.534703402	0.707656129	1.429302444	1.151426766	1.378233992	0.432918905	1.381036025	0.535424676	2.144377808	1.023062317	0.527538439	0.315449618	1.236821695	1.368982375	0.438776188	1.101687858	0.393732196	1.293679433	0.976937683	1.043217623	1.161494492	1.385205044	0.841754481	1.174908555	0.592742796	2.410246572	0.683173027	0.925180177
2S,3R-dihydroxybutyrate	1.088876465	0.546301095	0.822853267	1.58291979	0.918466573	0.729520009	2.188630978	1.026022744	1.007412285	0.487041415	0.681829147	3.085573034	1.80310023	0.77543315	0.485040626	0.863347533	0.897195206	1.480455556	0.695022434	0.839880123	1.104172709	0.450773496	1.359705529	1.403632638	0.944635189	1.261673114	1.328953545	1.32990768	1.384355817	1.505041137	0.428282926	1.054100766	1.305734176	0.6297882	0.690618428
2,4-dihydroxybutyrate	1.079881887	1.02164664	1.30431439	1.17650834	1.255010022	0.674914362	1.03482146	1.257481361	1.160318583	0.730172851	1.140143656	1.066911902	0.473846862	0.938494986	0.744602127	1.28639809	1.093976641	0.540319098	0.647981129	0.84049651	1.133241724	0.957995415	1.183159987	1.183268464	1.495176556	0.723797548	1.38351481	0.688958211	0.993819531	0.7117075	0.929089595	0.900398911	0.840128051	0.677424486	1.006180469
2R,3R-dihydroxybutyrate	0.594166393	0.71620772	1.076208508	1.269168905	1.11244846	0.861386067	1.196216711	1.842021152	0.950369184	0.909294476	0.758969621	1.327953442	1.491212407	0.861163386	0.34423501	0.997446942	0.978600924	1.131082155	0.730862167	0.935823488	1.067883365	0.77377114	1.267354318	1.174066736	0.969422346	0.874986147	1.571883846	1.096727218	1.867340439	1.00436143	0.724988581	0.670383186	1.16839408	0.886580032	1.013551401
2,3-dihydroxyisovalerate	1.192414951	1	0.490848665	0.490848665	1.261286873	0.490848665	0.490848665	0.719618514	0.866628762	0.490848665	1.032767467	0.490848665	0.490848665	0.743146652	0.490848665	2.063348631	1.082856137	0.490848665	0.490848665	0.739518607	0.490848665	0.490848665	0.994767765	0.490848665	1.602823918	0.490848665	2.155491478	0.490848665	0.615102411	0.490848665	0.873857775	0.490848665	0.490848665	0.490848665	1.17953404
3-methylglutaconate	1	0.7816047	0.805343146	0.836520809	1.225148066	0.695774333	0.916851583	0.943224086	0.950104564	1.353666129	1.564542392	0.949905014	1.171437238	1.035823183	0.658290896	1.876430772	1.064167239	0.612218834	0.561038298	0.738158714	1.284318577	1.04758864	1.455197075	0.755511566	0.909037212	1.115236028	0.561038298	0.909691735	1.552250124	1.155010297	1.354695806	0.975088201	1.110071678	1.122890758	0.928888428
sedoheptulose	1.43642155	0.898498756	0.956692423	0.996125264	1.441686134	0.883678588	1.039183033	1.344002258	2.018536333	0.586771007	1.264642851	1.138797312	0.725478134	1.147738174	0.445812349	1.168266958	1.166479068	0.664139078	0.677877861	1.085692092	1.003874736	1.091971384	0.898245791	0.801299915	1.165264998	0.866667846	1.203379038	0.601151253	1.457935133	0.954233433	0.958211329	0.688375014	1.188304395	0.900271618	1.437349824
UDP-N-acetylglucosamine/galactosamine	0.272642424	1.109663768	1.603195231	1.64592547	0.66267729	0.600786855	1.178476696	0.580380508	0.272642424	0.841573608	0.272642424	0.75751187	0.272642424	0.272642424	1.519809975	0.716633055	0.787561894	1.297634095	0.961905949	0.67748359	1.244314121	1.291357566	0.753188492	1.183975016	0.487570287	0.779983266	0.272642424	1.241755699	0.383895669	1.736965649	0.272642424	1.038094051	1.051013324	1.759121693	0.645409208
2-O-methylascorbic acid	1.082401105	0.91773128	1.118993431	1.356792531	1.289127064	0.722306201	0.799117085	1.000658699	0.996180355	1.029345349	0.96234972	0.868111574	0.46479974	1.160428322	0.644572977	1.203935531	1.178719642	0.868531171	0.510203614	0.998892966	1.135016922	0.894205728	1.146571433	1.132599918	0.999341301	0.685374355	1.277381886	0.682779599	1.177302309	1.082719476	1.186510368	0.880323815	1.17821916	0.920136499	1.130471094
mannonate*	0.893180822	1.960617444	1.633365914	1.096029234	1.49456329	0.639999296	0.914783252	0.881424383	2.642064721	0.694963413	2.326987364	0.961346189	0.415221591	0.73728913	0.74664976	1.015947519	1.220643684	0.613906749	0.541502752	1.258565227	1.340772949	1.301788403	1.294690442	1.000886541	0.978839607	0.882347202	1.133214635	1.050460265	1.007887994	1.042145732	0.767339233	0.999113459	0.950880289	0.575812618	1.135485053
3-hydroxyadipate	1.192838532	1.537556548	0.488289193	0.488289193	1.477650933	0.669760482	0.488289193	1.546789164	0.931622143	0.772508641	0.938169033	0.882923324	1.414281778	1.120146076	0.776080307	1.354111077	0.940551306	0.488289193	0.488289193	0.488289193	0.868971507	0.488289193	2.614996111	0.739861389	1.843708254	0.812689876	1	1.070522949	0.906236811	0.488289193	2.987834015	2.13771839	0.936609918	0.488289193	1.471794657
N-acetyltaurine	1.11149697	0.991337233	0.491147882	0.457907734	1.340556689	1.526297311	0.807949023	1.536607688	1.214645442	1.231087343	0.71218652	0.910142854	0.917252688	1.502412899	0.629148608	1.098496245	1.885886316	0.967731586	1.071736078	0.799735962	1.050752404	0.991797459	1.008202541	0.36601113	2.491243872	0.962248322	1.268059267	0.68539085	1.341773001	0.963451484	1.623265606	1.177030517	0.911827281	0.616788254	1.167770771
2-ketogluconate	0.973843937	3.600451629	0.106429992	0.106429992	1.313104826	0.106429992	0.106429992	0.267404043	4.753289167	0.106429992	3.561576742	0.106429992	0.106429992	0.106429992	0.106429992	0.292408703	1.026156063	0.106429992	0.106429992	1.498597153	1.548036596	0.106429992	1.477497165	0.106429992	0.687372821	0.106429992	0.87706204	0.106429992	0.106429992	0.106429992	0.485873474	0.106429992	0.106429992	0.106429992	0.945986983
arabonate/xylonate	2.043255944	2.470816022	1	1.591044352	3.135071352	0.550973196	0.618474938	0.937926118	0.736581067	1.256614911	0.918130303	0.863099216	1.879059811	0.613681657	0.793958266	0.997221423	0.653911334	0.403349451	0.811371311	0.403349451	1.124678314	1.853055915	1.099737994	2.146657756	1.042886391	0.477828598	1.77378101	1.97643386	0.813695627	2.253815528	1.033763503	0.989843257	1.081673031	0.736660327	0.653229198
ribulose/xylulose	1.310421584	0.995191304	0.879885293	1.147997394	1.111817488	1.238409342	0.629258933	1.261913832	1.098708529	1.052764216	0.942048854	0.702625057	0.484509992	1.172148585	0.079158823	1.004808696	1.046915004	1.084932048	0.775426484	0.876195154	0.783240163	1.20962487	0.960697554	1.110366445	0.079158823	0.638068868	0.079158823	0.079158823	1.348096722	0.838255584	1.209697386	0.079158823	0.86085843	0.982024842	1.048443238
3-hydroxyhexanoate	0.602752182	1.116366257	1.014561106	0.675044455	0.988713762	1.423181377	1.016840446	0.631893254	0.73831636	2.211404785	0.522130618	1.477639024	0.780861354	0.722777239	1.49926851	0.731358444	0.905152764	1.589658099	1.320747117	0.549641664	0.981514711	1.620198836	1.011286238	0.64803454	1.291571021	1.277911143	0.935345942	1.310479308	0.951596347	1.796611973	1.358178414	2.044913245	0.672400043	1.04616338	0.869562992
arabitol/xylitol	1.179294654	1.015563001	1.677216135	1.458155943	0.887744276	1.325027426	0.800129353	1.010028991	0.839783013	1.030848157	0.932699407	1.392315537	0.74532368	0.97969168	0.80409985	1.029868535	1.224968667	1.235644191	0.936408934	0.724707003	1.132641711	1.811665686	0.968966922	1.474306532	0.778880244	0.638510891	1.277652134	0.762349179	1.003861163	0.996138837	1.328576996	0.971748605	0.914205861	1.211479562	0.982359636
citraconate/glutaconate	1.757769551	1.046003717	0.941209579	1.586418671	1.458342176	0.73349622	0.718641756	2.504110605	1.155616166	0.551941258	2.06011172	1.606132045	0.569881212	0.920547675	1.564333049	1.049499807	0.607560377	0.704633404	1.458169632	1.141634572	0.664273812	1.080453449	1.725898751	1.16182867	0.953996283	0.536543327	0.933823407	0.864630525	1.105226881	0.59899131	0.494164878	1.154797736	0.923766957	1.256960348	0.653368482
2-hydroxybutyrate/2-hydroxyisobutyrate	1.186387413	0.986135229	0.945606752	0.926927778	1.29841263	0.616789166	0.851564082	1.809395195	0.909585919	0.9488852	1.102636071	1.495671576	1.017615508	0.884166233	0.823726622	1.288606043	1.052209395	1.018842925	0.510121001	0.891378641	1.825631193	0.858420718	1.388845093	0.889478517	1.818811914	0.901116149	1.395164214	1.000651954	1.618290232	1.298796272	1.127758983	0.999348046	1.313552254	0.701066459	0.983641853
2,3-dihydroxy-2-methylbutyrate	0.903464463	1.500272881	0.775300615	2.456889102	0.992748266	2.062201183	1.352068687	0.671198753	0.539999725	1.543691042	0.488010499	2.015547296	0.98182546	0.91451055	1.972582761	0.735312987	1.294771749	1.81694435	1.575735317	0.504153263	1.007251734	1.822625962	1.106368804	1.496407543	0.646773054	0.631247427	0.694939891	1.78383337	0.9528373	2.492061579	0.743903347	2.051875657	0.461017577	0.864985511	0.819196876
2-hydroxyheptanoate*	1.073538589	1.031352102	4.240845466	1.998379132	1.185195663	1.23943193	0.471034261	2.099554185	1.388796911	0.710284392	3.914884512	1.069598256	0.935245964	1.053961526	0.858408444	0.502395555	0.995607213	1.200857926	0.808796809	0.543727179	0.811854704	1.226283187	1.041896426	1.559251561	0.686112317	0.379682465	0.732814152	0.910337502	0.570962256	1.344441097	0.783493088	0.599319787	0.522250423	0.780373913	1.063499829
lyxonate	1.237473542	1.606915384	5.583299059	4.318257206	1.390806783	0.983536564	0.682172826	1.178089809	1.351684091	0.526562117	1.807219369	0.675220766	0.619207104	0.96777277	0.439443142	1.016463436	1.917319643	0.853709575	0.516104711	1.170994144	1.38389242	2.377575645	1.290109843	2.167051478	0.592953206	0.41027123	1.249788329	0.615131507	0.980846505	0.833580163	0.965825518	0.867677324	1.177647958	0.77610234	1.252300731
2-hydroxysebacate	0.379551529	1.232091823	2.955210756	1.588068543	1	0.379551529	0.379551529	2.228395062	0.605615143	0.379551529	1.78148611	0.927001979	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.757078228	0.791679683	1.003592627	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.379551529	0.768139586
2,6-dihydroxybenzoic acid	2.339872848	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	2.554907364	0.342290376	2.942061175	1.406783268	0.342290376	0.407099784	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.342290376	0.428224508	0.342290376	0.593216732	0.342290376	3.265622527	0.342290376	0.388747306	0.342290376	0.342290376

metabolite_name	PLATFORM	KEGG	PUBCHEM	INCHIKEY	SMILES
ribose 5-phosphate	Polar	C00117	439167	KTVPXOYAKDPRHY-TXICZTDVSA-N	O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
homocarnosine	Polar	C00884	89235,10243361	CCLQKVKJOGVQLU-UHFFFAOYSA-N	NCCCC(NC(CC1=CN=CN1)C(O)=O)=O
2-methylcitrate	Polar	C02225	12898022	YNOXCRMFGMSKIJ-UHFFFAOYSA-N	CC(C(CC(O)=O)(C(O)=O)O)C(O)=O
alpha-ketoglutarate	Polar	C00026	51	KPGXRSRHYNQIFN-UHFFFAOYSA-N	O=C(C(O)=O)CCC(O)=O
3-hydroxyisobutyrate	Polar	C01188,C06001	11966314	DBXBTMSZEOQQDU-UHFFFAOYSA-N	CC(C(O)=O)CO
3-hydroxy-3-methylglutarate	Polar	C03761	1662,5459993	NPOAOTPXWNWTSH-UHFFFAOYSA-N	CC(CC(O)=O)(CC(O)=O)O
adenosine 5'-monophosphate (AMP)	Polar	C00020	6083	UDMBCSSLTHHNCD-UHFFFAOYSA-N	NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(O)=O
allantoic acid	Polar	C00499	203	NUCLJNSWZCHRKL-UHFFFAOYSA-N	OC(C(NC(N)=O)NC(N)=O)=O
ribose 1-phosphate	Polar	C00620	439236	YXJDFQJKERBOBM-TXICZTDVSA-N	O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O
phenylpyruvate	Polar	C00166	997	BTNMPGBKDVTSJY-UHFFFAOYSA-N	O=C(C(O)=O)CC1=CC=CC=C1
succinate	Polar	C00042	1110	KDYFGRWQOYBRFD-UHFFFAOYSA-N	OC(CCC(O)=O)=O
3-hydroxybutyrate (BHBA)	Polar	C03197,C01089	94318,441,92135	WHBMMWSBFZVSSR-UHFFFAOYSA-N	CC(O)CC(O)=O
cytidine 5'-monophosphate (5'-CMP)	Polar	C00055	6131	IERHLVCPSMICTF-UHFFFAOYSA-N	NC1=NC(N(C2OC(C(C2O)O)COP(O)(O)=O)C=C1)=O
glucosamine-6-phosphate	Polar	C00352	440997	XHMJOUIAFHJHBW-UHFFFAOYSA-N	NC1C(OC(C(C1O)O)COP(O)(O)=O)O
glucose 6-phosphate	Polar	C00092	5958	NBSCHQHZLSJFNQ-UHFFFAOYSA-N	OC1OC(C(C(C1O)O)O)COP(O)(O)=O
fumarate	Polar	C00122	444972	VZCYOOQTPOCHFL-OWOJBTEDSA-N	OC(/C=C/C(O)=O)=O
gluconate	Polar	C00257	10690,3085666	RGHNJXZEOKUKBD-SQOUGZDYSA-N	OC([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O
glutarate (C5-DC)	Polar	C00489	743,4418048	JFCQEDHGNNZCLN-UHFFFAOYSA-N	OC(CCCC(O)=O)=O
myo-inositol	Polar	C00137	892	CDAISMWEOUEBRE-GPIVLXJGSA-N	O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O
inositol 1-phosphate (I1P)	Polar	C01177	440194	INAPMGSXUVUWAF-PTQMNWPWSA-N	O[C@@H]1[C@H]([C@@H]([C@H]([C@H]([C@H]1O)O)OP(O)(O)=O)O)O
2-aminoadipate	Polar	C00956	92136	OYIFNHCXNCRBQI-UHFFFAOYSA-N	OC(CCCC(N)C(O)=O)=O
methylmalonate (MMA)	Polar	C02170	487	ZIYVHBGGAOATLY-UHFFFAOYSA-N	O=C(C(C(O)=O)C)O
orotate	Polar	C00295	967	PXQPEWDEAKTCGB-UHFFFAOYSA-N	O=C(C1=CC(O)=NC(O)=N1)O
lactate	Polar	C00186	612	JVTAAEKCZFNVCJ-UHFFFAOYSA-N	CC(O)C(O)=O
salicylate	Polar	C00805	338	YGSDEFSMJLZEOE-UHFFFAOYSA-N	OC1=C(C(O)=O)C=CC=C1
glucose	Polar	C00031	5793	WQZGKKKJIJFFOK-DVKNGEFBSA-N	O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
mannose	Polar	C00159,C02209,C00936	82308,439680,185698,18950	WQZGKKKJIJFFOK-DXQLJALPSA-N	O[C@@H]1C(CO)O[C@@H](O)[C@@H](O)[C@H]1O
malonate	Polar	C00383	867	OFOBLEOULBTSOW-UHFFFAOYSA-N	O=C(O)CC(O)=O
pyruvate	Polar	C00022	1060	LCTONWCANYUPML-UHFFFAOYSA-N	CC(C(O)=O)=O
arabinose	Polar	C00216	66308	SRBFZHDQGSBBOR-SQOUGZDYSA-N	O[C@@H]1CO[C@@H](O)[C@@H](O)[C@@H]1O
uridine 5'-monophosphate (UMP)	Polar	C00105	6030	DJJCXFVJDGTHFX-XVFCMESISA-N	O[C@]1([H])[C@@](O)([H])[C@](COP(O)(O)=O)([H])O[C@]1(N(C=C2)C(NC2=O)=O)[H]
fructose	Polar	C00095	2723872	RFSUNEUAIZKAJO-ARQDHWQXSA-N	OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O
maltose	Polar	C00208	10991489	GUBGYTABKSRVRQ-ASMJPISFSA-N	O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O)O)O)O
ribose	Polar	C00121	5779	PYMYPHUHKUWMLA-LMVFSUKVSA-N	O=C[C@@H]([C@@H]([C@@H](CO)O)O)O
sucrose	Polar	C00089	5988	CZMRCDWAGMRECN-UGDNZRGBSA-N	OC[C@]1(O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]([C@@H]([C@@H](CO)O1)O)O
allantoin	Polar	C02348,C01551,C02350	439714,204,439713	POJWUDADGALRAB-UHFFFAOYSA-N	O=C(N1)C(NC(N)=O)NC1=O
glycerate	Polar	C00258	439194,752	RBNPOMFGQQGHHO-UHFFFAOYSA-N	O=C(O)C(O)CO
N-acetylalanine	Polar	C02847	88064	KTHDTJVBEPMMGL-VKHMYHEASA-N	O=C(O)[C@@H](NC(C)=O)C
acetylphosphate	Polar	C00227	186	LIPOUNRJVLNBCD-UHFFFAOYSA-N	O=P(O)(O)OC(C)=O
N-acetyl-glucosamine 1-phosphate	Polar	C04256	440364	FZLJPEPAYPUMMR-FMDGEEDCSA-N	O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(O)=O)[C@@H]1NC(C)=O
N-acetylglucosamine 6-phosphate	Polar	C00357	439219	BRGMHAYQAZFZDJ-FMDGEEDCSA-N	O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
beta-hydroxyisovalerate	Polar		69362	AXFYFNCPONWUHW-UHFFFAOYSA-N	CC(C)(O)CC(O)=O
methylsuccinate	Polar		10349	WXUAQHNMJWJLTG-UHFFFAOYSA-N	CC(C(O)=O)CC(O)=O
ethylmalonate	Polar		11756	UKFXDFUAPNAMPJ-UHFFFAOYSA-N	CCC(C(O)=O)C(O)=O
suberate (C8-DC)	Polar	C08278	10457	TYFQFVWCELRYAO-UHFFFAOYSA-N	OC(CCCCCCC(O)=O)=O
2-ketogulonate	Polar	C15673	102424	VBUYCZFBVCCYFD-NUNKFHFFSA-N	OC[C@H](O)[C@@H](O)[C@H](O)C(C(O)=O)=O
glucuronate	Polar	C16245	441478,23677976,94715,65041,444791	AEMOLEFTQBMNLQ-QIUUJYRFSA-N	O[C@@H]1O[C@H]([C@](O)=O)[C@@H](O)[C@H](O)[C@H]1O
glycerol 3-phosphate	Polar	C0093	754	AWUCVROLDVIAJX-UHFFFAOYSA-N	O=P(O)(OCC(CO)O)O
maltotriose	Polar	C01835	439586	FYGDTMLNYKFZSV-DZOUCCHMSA-N	O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O
ribitol	Polar	C00379,C01904,C00474,C00532	6912	HEBKCHPVOIAQTA-ZXFHETKHSA-N	OC[C@@H](O)[C@@H](O)[C@@H](O)CO
quinate	Polar	C00296	6508	AAWZDTNXLSGCEK-WYWMIBKRSA-N	O[C@@]1([C@](O)(C[C@@](C(O)=O)(C[C@]1(O)[H])O)[H])[H]
maleate	Polar	C01384	444266	VZCYOOQTPOCHFL-UHFFFAOYSA-N	O=C(C=CC(O)=O)O
N-acetylaspartate (NAA)	Polar	C01042	65065	OTCCIMWXFLJLIA-BYPYZUCNSA-N	OC([C@@H](NC(C)=O)CC(O)=O)=O
erythritol	Polar	C00503	222285	UNXHWFMMPAWVPI-UHFFFAOYSA-N	OCC(O)C(CO)O
ribonate	Polar	C01685	5460677	QXKAIJAYHKCRRA-BXXZVTAOSA-N	OC([C@H](O)[C@H](O)[C@H](O)CO)=O
threonate	Polar	C01620	151152,5460407	JPIJQSOTBSSVTP-UHFFFAOYSA-N	O=C(O)C(O)([H])C([H])(O)CO
glycerol 2-phosphate	Polar	C02979	3611397,2526	DHCLVCXQIBBOPH-UHFFFAOYSA-N	OCC(OP(O)(O)=O)CO
3-hydroxyglutarate	Polar		181976	ZQHYXNSQOIDNTL-UHFFFAOYSA-N	O=C(O)CC(O)CC(O)=O
2-hydroxyadipate	Polar	C02360	193530	OTTXIFWBPRRYOG-UHFFFAOYSA-N	O=C(O)C(O)CCCC(O)=O
3-hydroxy-2-ethylpropionate	Polar		188979	ZMZQVAUJTDKQGE-UHFFFAOYSA-N	O=C(O)C(CC)CO
4-imidazoleacetate	Polar	C02835	96215	PRJKNHOMHKJCEJ-UHFFFAOYSA-N	O=C(O)CC1=CNC=N1
sebacate (C10-DC)	Polar	C08277	5192	CXMXRPHRNRROMY-UHFFFAOYSA-N	OC(CCCCCCCCC(O)=O)=O
alpha-hydroxyisovalerate	Polar		99823	NGEWQZIDQIYUNV-UHFFFAOYSA-N	OC(C(O)=O)C(C)C
erythronate*	Polar		2781043	JPIJQSOTBSSVTP-PWNYCUMCSA-N	OC[C@@H](O)[C@@H](O)C(O)=O
cytidine-5'-diphosphoethanolamine	Polar	C00570	123727	WVIMUEUQJFPNDK-UHFFFAOYSA-N	OC1C(N(C=CC(N)=N2)C2=O)OC(COP(OP(OCCN)(O)=O)(O)=O)C1O
adenosine 3'-monophosphate (3'-AMP)	Polar	C01267	41211	LNQVTSROQXJCDD-KQYNXXCUSA-N	NC1=NC=NC2=C1N=CN2[C@@]([C@@]([C@@]3(OP(O)(O)=O)[H])(O)[H])(O[C@](CO)3[H])[H]
gulonate*	Polar	C00800	152304	RGHNJXZEOKUKBD-NRXMZTRTSA-N	OC([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)=O
cholesterol sulfate	Polar	C18043	65076	BHYOQNUELFTYRT-UHFFFAOYSA-N	CC1(C2C(C)CCCC(C)C)C(CC2)C(CC=C3C4(CCC(OS(=O)(O)=O)C3)C)C4CC1
sedoheptulose-7-phosphate	Polar	C05382	616	JDTUMPKOJBQPKX-UHFFFAOYSA-N	OP(OCC(C(C(C(C(CO)=O)O)O)O)O)(O)=O
adenosine 2'-monophosphate (2'-AMP)	Polar	C00946	94136	QDFHPFSBQFLLSW-KQYNXXCUSA-N	NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](OP(O)(O)=O)([H])[C@@](O)([H])[C@](CO)([H])O3
N6-acetyllysine	Polar	C02727	92832	DTERQYGMUDWYAZ-ZETCQYMHSA-N	N[C@@H](CCCCNC(C)=O)C(O)=O
mannitol/sorbitol	Polar	C00392,C00794	5780,6251	FBPFZTCFMRRESA-UHFFFAOYSA-N	OCC(O)C(O)C(O)C(O)CO
N-acetylserine	Polar		65249	JJIHLJJYMXLCOY-BYPYZUCNSA-N	OC[C@@H](C(O)=O)NC(C)=O
2-hydroxyglutarate	Polar	C02630	43	HWXBTNAVRSUOJR-UHFFFAOYSA-N	O=C(O)CCC(O)C(O)=O
2S,3R-dihydroxybutyrate	Polar		10964471	LOUGYXZSURQALL-GBXIJSLDSA-N	C[C@@H](O)[C@H](O)C(O)=O
2,4-dihydroxybutyrate	Polar		192742	UFYGCFHQAXXBCF-UHFFFAOYSA-N	OCCC(O)C(O)=O
2R,3R-dihydroxybutyrate	Polar		13120901	LOUGYXZSURQALL-PWNYCUMCSA-N	OC([C@H](O)[C@H](O)C)=O
2,3-dihydroxyisovalerate	Polar	C04039	677	JTEYKUFKXGDTEU-UHFFFAOYSA-N	OC(C(O)C(C)(O)C)=O
3-methylglutaconate	Polar		1551553	WKRBKYFIJPGYQC-DUXPYHPUSA-N	OC(C/C(C)=C/C(O)=O)=O
sedoheptulose	Polar	C02076	5459879	HSNZZMHEPUFJNZ-SHUUEZRQSA-N	OCC([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)=O
UDP-N-acetylglucosamine/galactosamine	Polar	C00203,C00043	44576,1167	LFTYTUAZOPRMMI-HEXNZZLISA-N	O[C@]1([H])[C@@](O)([H])[C@](COP(O)(OP(O)(O[C@H]2[C@H](NC(C)=O)[C@@H](O)[C@H](O)C(CO)O2)=O)=O)([H])O[C@]1(N(C=C3)C(NC3=O)=O)[H]
2-O-methylascorbic acid	Polar		54726398	RMHBODZVODTFAH-UHFFFAOYSA-N	OC1=C(OC)C(C(C(CO)O)O1)=O
mannonate*	Polar		3246006	RGHNJXZEOKUKBD-MBMOQRBOSA-N	O=C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
3-hydroxyadipate	Polar		151913	YVOMYDHIQVMMTA-UHFFFAOYSA-N	OC(CC(O)=O)CCC(O)=O
N-acetyltaurine	Polar		159864	CXJAAWRLVGAKDV-UHFFFAOYSA-N	O=S(CCNC(C)=O)(O)=O
2-ketogluconate	Polar		3035456	VBUYCZFBVCCYFD-JJYYJPOSSA-N	OC[C@@H](O)[C@@H](O)[C@H](O)C(C(O)=O)=O
arabonate/xylonate	Polar	C00502,C05411	122045,6602431	QXKAIJAYHKCRRA-JJYYJPOSSA-N	OC([C@H]([C@@H]([C@@H](CO)O)O)O)=O
ribulose/xylulose	Polar		5289590,151261	LQXVFWRQNMEDEE-UHFFFAOYSA-N	OC1(CO)OCC(O)C1O
3-hydroxyhexanoate	Polar		151492	HPMGFDVTYHWBAG-UHFFFAOYSA-N	CCCC(O)CC(O)=O
arabitol/xylitol	Polar	C00379,C00542,C01904	94154,6912	HEBKCHPVOIAQTA-IMJSIDKUSA-N	OC[C@@H](C([C@H](CO)O)O)O
citraconate/glutaconate	Polar	C02226,C02214	5280498,643798	HNEGQIOMVPPMNR-IHWYPQMZSA-N	C/C(C(O)=O)=C/C(O)=O
2-hydroxybutyrate/2-hydroxyisobutyrate	Polar	C21297,C05984	440864,4277439	AFENDNXGAFYKQO-UHFFFAOYSA-N	CCC(O)C(O)=O
2,3-dihydroxy-2-methylbutyrate	Polar		301941	AOWPAWLEXIYETE-UHFFFAOYSA-N	OC(C)(C(O)=O)C(C)O
2-hydroxyheptanoate*	Polar		2750949	RGMMREBHCYXQMA-UHFFFAOYSA-N	OC(C(O)CCCCC)=O
lyxonate	Polar			QXKAIJAYHKCRRA-PZGQECOJSA-N	OC[C@H](O)[C@@H](O)[C@@H](O)C(O)=O
2-hydroxysebacate	Polar		128458	LPIOYESQKJFWPQ-UHFFFAOYSA-N	OC(C(O)=O)CCCCCCCC(O)=O
2,6-dihydroxybenzoic acid	Polar		9338	AKEUNCKRJATALU-UHFFFAOYSA-N	OC(C1=C(O)C=CC=C1O)=O