metabolite_name	Con:u00:Le:d04:a	Con:u00:Le:d04:b	Con:u00:Le:d04:c	Con:u00:Le:d05:a	Con:u00:Le:d05:b	Con:u00:Le:d05:c	Con:u00:Le:d06:a	Con:u00:Le:d06:b	Con:u00:Le:d06:c	Con:u00:Le:d07:a	Con:u00:Le:d07:b	Con:u00:Le:d07:c	Con:u00:Ro:d04:a	Con:u00:Ro:d04:b	Con:u00:Ro:d04:c	Con:u00:Ro:d05:a	Con:u00:Ro:d05:c	Con:u00:Ro:d05:d	Con:u00:Ro:d06:a	Con:u00:Ro:d06:b	Con:u00:Ro:d06:c	Con:u00:Ro:d07:a	Con:u00:Ro:d07:b	Con:u00:Ro:d07:c	ES7:u03:Le:d06:a	ES7:u03:Le:d06:b	ES7:u03:Le:d06:c	ES7:u03:Le:d10:a	ES7:u03:Le:d10:b	ES7:u03:Le:d10:c	ES7:u03:Ro:d06:a	ES7:u03:Ro:d06:b	ES7:u03:Ro:d06:c	ES7:u03:Ro:d10:a	ES7:u03:Ro:d10:b	ES7:u03:Ro:d10:c	ES7:u05:Le:d06:a	ES7:u05:Le:d06:b	ES7:u05:Le:d10:a	ES7:u05:Le:d10:b	ES7:u05:Le:d10:c	ES7:u05:Ro:d06:a	ES7:u05:Ro:d06:b	ES7:u05:Ro:d06:c	ES7:u05:Ro:d06:r	ES7:u05:Ro:d10:a	ES7:u05:Ro:d10:b	ES7:u05:Ro:d10:c	ES7:u10:Le:d10:a	ES7:u10:Le:d10:b	ES7:u10:Le:d10:c	ES7:u10:Ro:d10:a	ES7:u10:Ro:d10:b	ES7:u10:Ro:d10:c
N-Acetylaspartic acid	3.666756592	3.944858446	3.678071905	3.017921908	2.737423275	3.677223935	2.952428272	3.247927513	4.412781525	4.121015401	3.776103988	4.59366141	2.272468073	2.62343665	1.767816265	3.438348936	3.075605407	3.169925001	3.255874205	3	3.589082621	3.651905488	3.678395299	3.247927513	2.515092469	2.263034406	3.392317423	2.459431619	1.541007134	1.263034406	3.55229943	3.291623995	3.534102955	4.1977421	4.452858965	4.177917792	3.05561078	3.805090327	2.108365616	2.986284648	1.96883827	3.350497247	3.944858446	3.523561956	3.572889668	3.779528598	3.573426983	3.92786952	0.485426827	2.373817691	2.493085925	3.717614178	4.117661916	3.341405029
Pyridoxine	4.95419631	2.247448745	1.201633861	4.070389328	2.867896464	3.201633861	2.101993362	1.890892387	1.773254959	2.700439718	1.137503524	3.387195229	0.263034406	0.92957847	-0.321928095	0	0.378511623	-1	1.201633861	0.137503524	0.263034406	2.278013038	-0.152003093	0.847996907	1.987696151	0.263034406	-0.321928095	2.201633861	-0.152003093	-0.152003093	1.321928095	0.378511623	0.263034406	-0.152003093	0.584962501	2.100417208	1.201633861	4.902073579	-0.736965594	0.137503524	0.847996907	0.263034406	1.378511623	0.137503524	0.584962501	-0.152003093	-0.736965594	2.662179397	1.648913113	1.242474938	1.409127028	1	0.584962501	2.070389328
Acetylsalicylate	3.053111336	2.918889085	2.454291097	2.925999419	2.552099879	2.03562391	3.321928095	2.40599236	2.981852653	4.263034406	2.232660757	3.58790934	2.160031964	2.078767285	0.980486856	3.678071905	3	1.321928095	3.459431619	3	3.459431619	3.64385619	3.906890596	3.472487771	2.277153468	2.003678549	0.378511623	0.584962501	1.200590574	2.201633861	2.587878592	2.459431619	2.695207782	5.070389328	5.197708158	4.935459748	1.722466024	0.485426827	1	2.346805223	2.137503524	4	3.277984747	3.560714954	3.137503524	3.906890596	3.087462841	2.232660757	1.607446028	1.887525271	1.963474124	2.807354922	3.596935142	3.208008235
Dimethylamine	4.185866545	3.017921908	3.137503524	6.490249211	5.031218731	4.995484519	5.754887502	5.439623138	5.714245518	7.323730338	7.242221395	7.896029603	5.563658798	5.368184618	5.741132854	1.201633861	4.270528942	0.263034406	5.430789971	3.981852653	5.916168165	2.5360529	0.485426827	4.94016675	9.447496547	9.722466024	9.757556689	0.584962501	11.03885042	1.963474124	4.053111336	9.874520349	9.741972515	9.847996907	9.475125426	4.847996907	11.91606605	11.96058121	11.46959095	11.69400958	11.05100496	5.960716753	2.827819025	5.716990894	5.812498225	4.193771743	5.255500733	11.69822716	10.36435356	11.64997465	11.71364427	7.147335146	6.872722084	11.64069684
Pyruvate	5.569855608	6.970393538	4.95419631	7.346070441	7.884475819	7.227856573	7.880807948	7.980139578	7.675957033	7.777419716	7.424586226	8.09434165	4.986410935	4.832890014	4.906890596	6.416164165	5.942514505	4.596935142	5.501439145	5.395748328	4.977279923	5.307428525	6.381975479	6.745506266	3.472487771	5.760220946	5.459431619	7.437127844	6.40599236	7.468420402	5.061776198	5.266786541	4.921245889	6.129283017	6.482202926	6.38024459	6.933100475	7.144658243	4.008988783	4.711494907	5.663913842	4.638073837	5.137503524	5.402585758	5.845490051	4.026800059	3.087462841	3.666756592	4.602884409	6.063934306	5.385431037	4.270528942	4.683696454	4.044394119
Xanthurenate	2.925999419	2.972038189	2.521077321	2.963474124	3.470627927	2.981852653	2.378511623	3.240187491	2.828187152	2.459431619	3.655351829	4.702601363	4.357552005	4.270528942	4.614709844	3.700439718	3.786596362	2.537140855	4.240314329	4.590961241	4.765534746	4.008988783	4.392317423	3.485426827	2.307845229	1.378511623	1.485426827	2.648599247	1.321928095	2.010016054	2	4.343407822	4.061776198	3.916476644	4.760220946	4.364572432	2.770708954	2.5360529	2.207463479	1.137503524	0.584962501	2.169925001	5.412781525	5.593951284	5.64096791	3.916476644	3.666756592	3.887525271	1.453269039	1	2.766259162	4.314696526	3.754887502	4.03562391
Maltose	6.974988112	5.908750227	5.862402388	5.944233685	5.671263769	5.598943068	5.854641506	6.621280851	6.011836077	5.866451611	6.387374488	6.772583645	7.76420813	6.851749041	7.633721813	5.599276207	6.19202001	6.712870868	5.849754293	5.796614688	7.154818109	7.334496768	4.161887682	6.483815777	5.546211285	5.041460807	5.337202709	5.107844219	5.052386472	5.659910856	4.705977902	6.369644889	5.48864354	6.949534933	5.977279923	5.478971805	6.023550742	6.657855664	5.134068079	5.140490377	5.269667418	6.218482342	5.575917361	5.757556689	5.83541884	5.754887502	6.521992956	6.364572432	4.294902346	2.963474124	5.084801736	6.632268215	5.949534933	5.321928095
Acetate	3.73785233	4.240314329	3.754887502	4.436482378	5.754887502	4	3.87334421	6.059614856	5.311067102	5.887525271	4.263034406	5.762880293	1.485426827	3	0.137503524	3.776103988	3.99095486	3.070389328	3.886106959	3.070389328	4.459431619	4.314696526	4.169925001	4.560714954	3.610200869	4.273363901	1.070389328	3.786596362	2	2.930020046	3.378511623	3.277984747	3.392317423	5.078951341	5.053111336	4.781359714	3.472487771	3.40599236	2.169925001	5.116863758	2.925999419	5.551516018	3.925999419	7.339850003	4.087462841	4.738767837	4.578938713	3.972692654	2.881904933	5.736063628	2.584962501	4.255500733	5.343407822	4.817623258
Valine	2.459431619	3.217230716	3.40599236	5.449561375	3.872672763	5.292781749	2.827819025	3.608809243	2.827819025	3.560714954	3.87774425	5.328597306	4.185866545	3.963474124	3.981852653	4.797012978	4.596935142	4.572889668	4.902073579	4.584962501	4.478971805	5.578938713	5.730639956	5.218176623	2.867896464	1.584962501	2.906890596	5.311067102	1.201633861	2.459431619	4.892391026	4.62058641	4.263034406	6.145677455	6.537606691	6.470862199	2.887525271	3.292781749	1.807354922	1.378511623	1.925999419	5.378511623	5.289096702	5.325530332	5.354028938	5.133399125	4.847996907	4.765534746	0.137503524	3.263034406	3.786596362	6.421223299	6.412781525	5.911691582
glycerone	1.485426827	1.782565505	1.839531364	0.678071905	1.678071905	2	2.114677332	2.232660757	0.765534746	3.350497247	4.09592442	4.584962501	1	0	0.584747778	1.594267766	1.415526821	0.458073069	2.041343061	1.578687231	1.560591077	2.466291995	2.92202277	1.321928095	1.5360529	1.364724521	1.847996907	2.321928095	0.263034406	1.263034406	2.143164173	-0.321928095	1.197905036	2.535815198	3.325793463	1.888342487	1.722466024	-0.321928095	1.485426827	0	-0.152003093	2.450770525	1.263034406	1.070389328	1	-0.321928095	-0.736965594	2.871158482	1.263034406	0.678071905	1.5360529	3.011407985	3.080915591	2.339393578
Ferulate	2.867896464	2.504959129	2.339714333	2.169925001	2.552967974	2.10433666	1.584962501	2.700439718	2	3.887525271	3	2.807354922	3.121015401	1.485426827	2.722466024	3.510961919	3.169925001	3.786596362	3.963474124	3.459431619	3.711494907	2.963474124	4.201633861	3.64385619	1.632268215	1.887525271	0.925999419	2	1.485426827	2.827819025	2.999025244	3.53247782	3.10433666	4.084131661	4.392317423	5.632268215	2.271859127	2.137503524	2.232660757	1.925999419	0.584962501	3.758456835	4.765534746	3.925999419	4.491853096	4.052822473	3.362162989	3.597198985	0.765534746	2.321928095	2.137503524	5.560714954	4.197572737	3.512806767
glycerate 2-phosphate	7.378928353	7.158862106	7.76884596	8.105384749	7.951867504	7.921151955	7.821467253	7.593747353	7.760607348	7.60517232	7.299201791	7.974442221	7.494255587	6.373300197	7.333602628	6.880195729	6.73470962	6.983052794	7.108524457	6.512542955	6.694880193	7.608809243	6.95070169	7.337110394	7.790454979	7.083076159	7.64357208	7.166068289	8.216816787	8.009548727	7.840037857	7.720074604	7.380861405	7.772149591	7.964629667	8.316507819	7.586318605	8.223866838	7.217230716	6.875288598	7.054197294	8.233354251	8.472721402	7.477353527	7.561478892	7.703211467	7.486231678	7.704595348	5.205548911	6.966695459	7.408369605	8.329572126	8.235056863	7.931328485
Galactitol	7.932297994	7.100136671	7.98163591	8.249658992	8.704860731	7.849874194	7.599912842	7.430452552	8.140574178	7.76292471	7.46652554	7.904788072	7.560878094	7.403438163	7.85237345	7.616181231	7.242221395	7.20261362	7.337572715	6.831159045	6.397460726	7.057450272	7.035300923	7.635173947	7.708690886	7.259871721	7.737745581	7.245716466	8.110164119	7.613141855	7.587964989	5.529820947	8.027353134	7.451211112	6.040015679	8.125155131	7.75190346	8.603301502	7.274113704	6.050936965	6.566815154	8.450798854	8.28077077	8.161887682	7.87282876	7.451211112	7.071462363	6.886306263	6.325530332	6.512522014	7.188836073	7.920055055	6.187846909	6.145677455
xylitol	9.242459601	8.689085067	7.91162031	8.380819986	8.772166224	8.651674512	8.037565555	7.770889826	7.92464756	7.848869601	7.744833281	7.939711013	7.971460973	7.439623138	7.85256676	8.06501215	6.690696444	7.044588102	7.439077993	6.928913417	6.48703608	7.559950613	7.540709263	7.346956889	8.285301913	7.267575664	7.770723916	7.342020683	8.571416519	7.432959407	8.241268177	7.69306337	7.378275954	6.860466259	7.996049728	7.184875343	7.597192343	8.504330281	7.587199069	7.215070503	6.786812405	8.241611217	9.081882837	7.943413342	8.105767979	7.758474523	7.652319726	7.493970864	5.732209121	6.965576188	7.752213368	7.899054756	7.922186938	7.793765857
acetol	4.99095486	5.807354922	5.526694846	4.466169471	3.914170377	4.012135154	4.263034406	3.153805336	4.716990894	4.142544563	3.817623258	5.409141896	3.44625623	3.464061111	2.967661994	3.652465225	3.855237116	3.082361134	3.794957104	3.409035036	4.029260891	3.672207779	3.232660757	4.897231938	4.791814071	5.501439145	2.805054922	3.247927513	2.593666082	3.786596362	4.210187692	2.867896464	3.943299918	4.598701894	2.678071905	4.843460689	2.632268215	4.321928095	2.827819025	4.153805336	2.887525271	4.605935839	4.951498097	4.522902276	4.901710778	4.87774425	4.99095486	5.040015679	2.432959407	2.906890596	3.321928095	4.82942924	4.217230716	2.944858446
Caffeine	3.572212009	2.232660757	2.605193173	3.109944646	5.008988783	3.181653156	0.678071905	2.860161074	3.077835045	2.40599236	3.392317423	4.832890014	1.201633861	3.827819025	2.137503524	5.303780748	3.510961919	2.032744771	3.572889668	3.608809243	4.666756592	3.345199623	3.243323614	3.087462841	0.378511623	-0.152003093	0.137503524	1.678071905	1	1	3.596935142	4.112700133	3.44625623	3.440494231	2.632268215	4.008988783	2.10433666	5.193771743	1.628329356	3.121015401	2.963474124	0.765534746	4.958842675	4.465974465	3.510961919	1.5360529	1.432959407	1.5360529	1	0.485426827	2.59744796	3.121015401	2.678071905	1.925999419
Glucarate	6.207502459	6.098389236	6.419538892	5.723322394	6.375836583	5.852997588	5.862374119	6.705518297	5.936165668	6.122716996	6.053111336	6.908954195	6.213347282	6.17990909	4.958842675	4.5360529	7.394033895	5.87774425	5.899883907	7.483815777	5.125155131	6.343407822	6.867896464	5.87282876	5.829030075	4.813905371	5.307428525	5.240534312	5.303780748	5.760559186	7.703903573	7.458611673	6.753551055	6.125155131	5.778734244	6.740118043	5.652486495	7.478971805	4.378511623	4.786596362	5.031218731	6.002252452	6.864688115	6.875827148	6.38123288	6.17990909	6.306659156	6.813781191	3.655351829	4.763017754	3.666756592	7.086191385	7.21042783	7.17292749
Malonate	4.240314329	3.596935142	4.129283017	4.412781525	3.608809243	3.336283388	3.321928095	3.87774425	3.137503524	3.137503524	5.371558863	5.246028695	3.510961919	3.906890596	3.087462841	4.321928095	4.09592442	3.185866545	4.153805336	4.061776198	3.807354922	4.64385619	4.827819025	4.882643049	3.325644363	4.307428525	4.529820947	1.632268215	1.201633861	2.432959407	4.822730148	4.722466024	4.566815154	5.247927513	5.587964989	4.674201004	4.754887502	3.797012978	2.40599236	2.510961919	4.09592442	3.733354341	5.680886921	5.456149035	4.977279923	4.862947248	3.711494907	4.026800059	2.03562391	2.827819025	3.584962501	5.904484098	4.807354922	4.161887682
Isobutyrate	3.069918935	3.37760761	3.376841051	4.66106548	2.539072202	4.560714954	2.867896464	3.144839628	2.485426827	3.331257511	3.728495209	4.5072594	2.903593359	2.769648039	2.365331219	3.327063307	3.196814969	1.263034406	2.632268215	2.957027489	3.723710008	3.499138186	3.47692411	5.388878339	2.292781749	1.485426827	2.944858446	2.233720646	1.599673907	1.954014862	3.516660885	3.087462841	3.228984913	3.754887502	4.54776222	4.445613708	3.300309115	3.510244288	2.520052374	2.954920181	1.432959407	4.335782636	4.693698044	5.049527981	4.911135708	4.065291342	4.217195365	4.30351946	1.674722501	3.230076089	2.633533032	4.415773795	4.642166826	4.143176621
Biotin	4.375490535	4.669571104	4.208466133	5.64096791	6.01346226	4.614039358	5.87774425	5.427523865	4.998651149	5.933100475	5.416082925	5.691370168	5.141596278	3.121015401	4.892391026	2.263034406	4.022705463	3.981852653	3.981852653	2	3.070389328	4.385431037	4.023470111	4.802193217	5.944858446	4.532149549	4.068363496	5.840463234	4.008988783	3.567319573	4.483661809	5.997744026	4.697698482	5.078951341	4.510961919	5.251517892	4.975608991	4.733354341	4.572889668	3.584962501	3.612329531	4.868041624	5.1439641	6.070389328	5.99095486	5.804776378	5.689299161	5.228528287	3.557581297	4.243617412	3.930274495	5.942514505	5.659970119	5.114365689
Ascorbate	4.1917576	4.827819025	4.608809243	4.817623258	3.968140441	4.22801369	4.529820947	4.256257192	4.862119965	4.144995164	4.696314168	5.410866792	4.711494907	4.738767837	4.842978832	3.017921908	2.744161096	3.192607484	4.050400939	2.765534746	3.880659622	3.933894099	3.523914343	4.964426312	4.350403911	4.584862706	3.273220915	4.837943242	3.510961919	3.167894355	4.321801817	3.44625623	4.224966365	4.723839266	4.070389328	5.027732043	4.565582969	4.583709779	3.586609673	3.5360529	3.523561956	5.465974465	5.590961241	4.247927513	5.232660757	5.165098386	5.061304937	4.976803303	2.827819025	4.128909556	3.643534491	5.41858345	5.04751252	4.959211129
5-aminolevulinic acid	4.364572432	4.90209129	5.491853096	5.074676686	4.596935142	5.977279923	5.232660757	6.569855608	5.070389328	4.678071905	5.974988112	6.38932569	5.475733431	4.700439718	5.074676686	5.339850003	4.99095486	4.760220946	5.108524457	3.321928095	4.452858965	5.655351829	3.916476644	6.287250643	6.499845887	4.209453366	3.797012978	2.5360529	6.10433666	5.087462841	6.133399125	6.201633861	5.977279923	4.478971805	6.14974712	5.963474124	5.14974712	6.45779126	3.053111336	3.847996907	5.031218731	6.988684687	7.110613806	6.089582893	6.173926932	5.95419631	5.789207575	5.840463234	3.169925001	4.5360529	4.343407822	6.177917792	6.04220656	5.378511623
2-methylmaleate	3.087462841	4.277984747	4.061776198	3.515192794	2.925999419	4.602884409	2.966718663	3.016483987	4.03043394	3.483352339	3.263034406	4.262190285	4.09592442	3.137503524	2.292781749	2.818610408	2.432959407	2.209281601	2.485426827	2.169925001	2.459431619	1.963474124	3.226543601	4.037750442	3.350497247	3.744161096	3.017921908	2.592816595	2.137503524	1.755220894	3.418713978	3.103114447	2.786596362	4.327368672	4.284760268	4.184108305	4.087462841	4.10433666	2.507601304	3.455199492	2.201633861	2.722466024	4.338810803	4.041204526	4.711901406	3.891329891	4.086731355	4.150441711	1.925999419	2.946750631	1.925999419	2.5360529	4.316257539	3.685182732
Glycine	10.74852832	10.97441459	7.256444596	8.272396509	10.48391652	10.2643253	10.10341896	10.09183204	10.32788942	10.26584942	11.27152139	9.31083996	10.66097638	9.933248043	9.608439653	9.117383367	8.859224162	8.030667136	9.019034669	8.391887985	9.091435386	4.350497247	8.77939106	4.498250868	9.385646735	9.516684949	9.71630504	9.791488517	11.18797059	9.06501215	9.243173983	10.70416303	4.716990894	9.648896806	5.321928095	9.079218087	5.765534746	8.454916138	9.508587112	9.408754313	4.329123596	6.173926932	10.11984896	10.36817904	10.38013634	9.238643576	9.339404658	8.491853096	8.376776572	8.194264383	8.516881891	9.862425598	8.817942968	8.804776378
3-methylhistidine	3.700439718	4.683696454	3.689299161	3.97950771	3.668419259	4.066016906	3.287172448	1.201633861	5.867896464	3.782328141	6.251719093	4.93179585	1.070389328	0.678071905	1.584962501	1.722466024	3.459431619	2.477510293	4.314696526	2.786596362	4.465974465	2.070389328	3.307428525	2.201633861	3.392317423	2.961938666	1.632268215	5.439623138	2.246577854	1.887525271	4.070389328	1.632268215	1.678071905	4.458587284	4.5360529	4.074149187	6.031218731	5.296457407	0.378511623	3.392317423	1.432959407	4.232660757	4.137503524	2.201633861	1.807354922	2.510961919	3.046245872	2.350497247	1.485426827	1.070389328	2.825496501	2.867896464	2.560714954	0.678071905
Ethylene glycol	12.16226543	12.23861372	12.13388071	11.08055108	10.32192809	10.61065577	9.166916252	9.365884968	9.160375687	8.384999545	10.6930513	8.135452784	9.945004816	9.701653014	10.25349297	9.56700537	9.418485137	8.441284272	9.064473329	8.793440743	7.859224162	6.874059203	4.510961919	6.616181231	10.33024466	10.00786824	10.62771626	7.599168993	10.65078251	8.686500527	7.87958325	10.08041783	10.20713637	6.915281866	5.663913842	6.599912842	11.75003698	11.84795777	9.044120856	9.502632935	8.540709263	8.685449638	8.726218159	7.955359305	7.917073663	4.781359714	4.392317423	6.50779464	5.217230716	6.82527683	4.689299161	5.44625623	6.268658955	4.485426827
Thymine	2.774612674	2.57210833	2.424710616	3.364572432	1.963474124	2.649731309	2.827819025	2.302605957	2.453756398	3.38347777	2.935387011	3.798497519	2.263034406	2.263034406	2.201633861	2.292781749	2.321928095	1.979889147	2.676792739	2.070389328	2.925999419	3.561758475	2.5360529	3.491615883	2.432959407	1.760330797	1.321928095	2.608809243	1.199163238	1.554557221	3.786596362	3.472487771	2.887525271	4.095130761	3.5360529	3.612648846	2.490307213	3.277984747	1.584962501	2.317149075	1.223409096	3.887525271	5.482202926	5.469234794	5.357552005	3.99095486	3.378511623	3.459431619	1.332229006	2.196506779	2.506192455	3.922073409	4.602884409	3.678071905
4-aminobutyrate	4.070389328	6.275541262	6.562190981	6.213347282	6.129283017	6.318316841	6.395618111	6.952904592	6.458446289	6.251719093	5.956521363	7.11751195	6.900866808	6.786596362	6.663913842	6.972692654	6.892391026	6.94016675	6.653919873	6.586464526	6.307428525	7.736063628	7.551516018	7.795715007	6.391286754	5.811134674	6.254666335	5.83541884	5.426264755	5.892391026	7.580328887	7.596935142	7.319220503	8.316055209	8.553821257	8.342074668	5.596935142	6.10433666	7.001126665	6.638073837	6.563768278	7.952996323	7.534470377	8.723831566	7.061654847	7.947783026	7.876167597	7.816343705	5.016327714	7.082149041	7.14363831	8.862327401	8.437293666	8.290479698
Methylguanidine	4.847996907	4.625813736	4.129283017	5.623515741	2.432959407	3.930734471	3.584962501	3.321928095	4.357552005	0.584962501	4.026800059	5.32015988	1.137503524	0.925999419	1	3.42920293	3.490972985	2.640366828	3.777641334	3.434118652	4.132263436	3.232660757	0.378511623	6.074676686	3.655351829	4.459431619	2.579606579	3.171721138	4.277984747	1.678071905	4.255500733	4.137503524	3.689299161	4.632268215	5.911691582	4.653697977	3.64385619	3.754887502	4.882643049	4.760220946	3.472487771	4.666756592	4.566815154	4.5360529	4.694880193	3.925999419	3.916476644	3.786596362	2.681744449	4.177917792	5.108524457	4.357552005	4.432959407	3.981852653
Fructose	10.42174927	11.35713597	10.25762356	10.32113891	11.06332766	10.01669136	9.197501605	10.75070699	9.079827491	11.31469653	10.12988632	8.435435366	11.0768156	10.34795349	10.67375074	10.79051141	10.45584091	10.59479112	10.72621816	10.54235479	10.3188817	11.62680414	10.69505425	11.69883487	9.669062209	9.435670261	10.25467435	8.672368052	12.24025469	11.48442013	11.57766485	11.17536242	11.33778913	11.55832504	11.41959156	10.76925933	10.50243404	10.97642092	9.810410969	10.711753	10.65794363	12.0235118	12.20267483	12.11965446	12.13900768	11.64538824	11.73097953	11.92529481	8.777419716	10.02458564	10.83581357	12.38715572	11.53182005	11.87686223
Fucose	5.64385619	5.890615135	6.865423978	6.196384353	6.198775334	5.959813254	6.262552709	6.769908537	6.050042462	6.570363648	6.315472563	6.93927711	5.270528942	5.965784285	6.599912842	5.605849867	5.961160258	5.292781749	5.841523272	5.402585758	5.429615964	5.64385619	6.020146573	5.700439718	5.867332133	5.494628942	5.904894488	5.319844948	5.409836279	5.875404002	6.338067798	6.14974712	6.213347282	6.866660751	6.786596362	6.888743249	7.034523875	7.108524457	5.423447475	5.282238364	5.521381502	7.21042783	7.440453944	7.05202456	7.0725346	5.593951284	5.259272487	5.635173947	4.249823751	5.431446925	5.747074128	7.204571144	7.650333754	7.181897643
Histamine	2.925999419	1.584962501	2.601004915	3.510961919	1.632268215	2.5360529	2.5360529	3.963474124	2.434080677	3.432959407	2.827819025	3.993665527	2.321928095	4.112700133	4	2.378511623	1.5360529	2.584962501	1.201633861	2.867896464	3.744161096	3.442572356	2.03562391	4.078951341	2.817481785	0.263034406	2.016606572	1.321928095	1.177981878	0.765534746	2.632268215	3	5.5360529	3.087462841	4.626439137	3.391458565	2.632268215	2.03562391	3.472487771	2.410701085	1.532787134	4.614709844	4.921245889	4.716990894	4.700439718	2.459431619	5.614709844	5.350497247	2.005391702	3.017921908	1.847996907	2.560714954	6.224966365	4.157822911
sorbitol	9.709256167	9.690411261	8.32448044	8.613523127	9.672134808	9.123782801	8.254767272	8.337612237	8.04371782	8.246966279	8.590521075	8.107748877	8.522942464	8.277519887	8.056366761	7.766572459	7.897845456	7.19864128	7.586464526	7.270529222	7.934870291	6.877017503	6.937071039	6.864977236	8.670918317	8.576673293	8.228097122	7.466590861	8.744161096	7.862881073	7.96133225	10.42195961	7.258000397	7.148662138	6.858038181	7.41866296	7.947433445	9.029218666	7.896990737	7.805879305	6.909367131	8.051448272	8.864676485	8.119689311	8.243044126	7.629180754	7.398061865	7.21836868	5.915532521	6.776663517	7.357062805	8.195336818	7.556593366	7.735369599
xanthine	3.070389328	4.277984747	4.837943242	3.925999419	3.776103988	4.472487771	2.887525271	3.485426827	4.949534933	4.862947248	4.776103988	5.314696526	6.723831566	1.925999419	3.263034406	2.867896464	3.560714954	2.137503524	3.666756592	6.359310317	4.254656763	4.209453366	2.847996907	4.378511623	5.240314329	4.357552005	4.738767837	4.40599236	3.307428525	5.129283017	4.087462841	6.309248961	2.350497247	4.399171094	4.491853096	4.738767837	5.318316841	5.678071905	5.329123596	4.596935142	3.765534746	3.786596362	5.168022293	5.165911939	5.387362172	7.089582893	6.081083929	6.091699834	3.07047915	4.529820947	3.614474563	6.99095486	6.22881869	6.988684687
Sarcosine	3.336283388	3.137503524	2.560714954	3.754887502	2.655351829	3.153805336	3.498250868	3.603338523	3.722466024	4.596935142	3.95419631	5.144859392	4.035190202	3.375992383	3.369212083	3.350497247	4.548436625	3.292781749	2.744161096	3.880610255	3.989118755	4.833980626	4.068017885	5.325530332	1.678071905	4.711494907	1.847996907	5.221103725	2.867896464	5.350497247	4.392317423	4.217230716	3.137503524	3.498250868	4.129283017	7.635899466	2.765534746	3.95419631	2.981852653	3.678071905	3.045111474	8.0061858	4.560714954	8.200653436	4.161887682	7.968090752	4.738767837	7.893604905	3.64385619	3.909002453	3.185866545	7.908692838	5.354028938	7.623515741
1,7-dimethylxanthine	2.688014523	1.765468728	1.986678632	1.729304533	2.014830394	2.033583568	2.205391568	2.105874835	1.613716284	3.321928095	2.535049068	3.511270332	1.765534746	1.070389328	1.137503524	2.232660757	1.722466024	-0.152003093	1.963474124	1.678071905	1.321928095	3.087462841	4.733354341	1.632268215	1.984848427	1.142612325	1.053099203	1.719421411	0.890415798	1.326080771	2.40599236	4.177917792	0.378511623	2.867896464	4.672425342	0.378511623	1.916527602	1.494336692	2.171680159	1.070389328	0.794376019	4.847996907	4.5360529	5.840463234	4.722466024	2.507096363	0.847996907	3.817623258	1.372065254	1.764784481	1.539983168	4.112700133	3.906890596	3.722466024
5-Hydroxyindole-3-acetic acid	2.263034406	2.846170432	2.215683578	2.493632274	2.459431619	2.321928095	2.963474124	1.887525271	2.204092699	3.384578884	2.508269051	3.43582643	1.378511623	1.607842202	0.584962501	2.232660757	2.10433666	1.925999419	2.43457265	2.119099189	2.892508738	3.678071905	2.765534746	3.201633861	2.376046812	1.632268215	0.584962501	2.138507283	1.294099573	1.43447123	2.887525271	2.169925001	2.510961919	4.321928095	4.247927513	3.64385619	2.02697562	2.05529861	2.169925001	2.159038712	1.15346094	2.584962501	2.201633861	2.137503524	2.03562391	3.700439718	3.596935142	3.608809243	1.432959407	2	3.017921908	4.078951341	4.498250868	3.655351829
Guanidoacetate	8.028458647	12.6467387	12.62744269	10.99215944	10.48169854	10.16954925	8.66853047	7.518062976	8.181229366	7.930145948	8.7478573	8.103011545	8.184875343	7.146695948	7.991521846	7.501439145	7.152791852	6.416164165	7.408542042	6.851749041	6.636624621	8.661778098	7.704595348	8.849874194	10.99866094	7.093813673	7.998872454	8.25124569	9.839991071	7.479780264	8.347842794	9.447703162	8.569855608	8.855491443	8.277519887	7.891783703	12.00895378	12.0336983	9.593951284	8.720757277	6.77478706	10.56719556	9.286326727	7.658211483	9.031770114	8.595816919	9.062046138	8.831623937	6.646098061	7.502235115	7.465974465	9.773304077	9.35974956	9.251719093
Lactose	5.925999419	7.503333285	7.178699559	7.790511412	6.642412773	6.858873241	7.427015758	7.367691843	7.121916406	7.14489799	6.246027981	7.504375752	7.249824549	7.055282436	6.998872454	7.074798375	7.145677455	7.029011087	7.428778891	7.205548911	4.94016675	7.817623258	7.889351853	7.344295908	6.536477664	6.066354518	6.842978832	6.697641881	6.924031585	7.029010994	7.729960561	7.503825738	7.45532722	8.109047078	6.918863237	7.846117173	6.776040867	6.070389328	6.131342539	6.419175311	5.572889668	8.658925511	7.188836073	8.883559725	8.725195817	7.667466405	7.704595348	6.874059203	5.214904701	5.368069877	6.893473464	7.99830835	8.393604969	7.958262697
Creatine	2.432959407	1.858061068	1.971350707	1.621728281	2.064418179	1.899564213	2.030364124	1	1.763263511	3.244382155	2.807354922	3.708043929	1.321928095	2.019114467	2.232660757	1.321928095	0.765534746	1.887525271	1.378511623	1.263034406	1.070389328	3.475127541	2.137503524	2.585829729	2.280005039	1.448344543	1.083597797	0.925999419	0.812780718	1.449393642	0.765534746	3.711494907	1.201633861	2	4.041986166	0.678071905	2.088018539	1.566701376	3.070389328	3.5360529	0.378511623	6.630813152	6.307428525	5.911691582	5.783980414	2.169925001	2	1.765534746	1.979509579	2.018637398	1.321928095	3.888963846	3.897240426	3.391118097
Syringate	3.093926713	2.678584203	-0.321928095	-1	2.783017944	0.137503524	0.485426827	-0.152003093	-0.321928095	3.713069277	0.137503524	3.937705423	3.513390756	2.5360529	0.925999419	3.472487771	4.153805336	0.678071905	2.485426827	4.902073579	2.765665373	5.852997588	2.655351829	6.102238194	3.291893542	2.273276099	-2.321928095	2.835360486	-1.321928095	-0.152003093	2.292781749	2.378511623	1.432959407	6.253611152	6.578938713	6.320123598	2.556151778	0.378511623	4.017921908	-1.321928095	1.378511623	6.011227255	6.366322214	6.10433666	6.087462841	7.024585638	6.82527683	2.03562391	2.252097773	5.274261661	-0.321928095	6.73470962	7.005624549	6.614709844
Glycerate	7.563768278	10.02812796	8.648990606	8.897676599	9.359212444	8.921148815	8.017921908	8.76330558	7.196725061	8.369829569	8.785097858	8.145192923	8.25124569	7.12722055	7.766197597	8.845803646	8.422905743	8.29186137	8.927777962	8.499845887	7.925090244	9.563577635	9.435253538	7.592887844	7.199672345	7.007868243	7.381110294	8.120497098	9.030697256	8.067075317	8.625708843	7.339850003	7.736058595	9.966649642	9.990671284	10.15431181	7.869748051	8.314243347	8.268906708	8.028201441	6.565999049	7.95942242	9.010667963	8.329572126	8.363258702	10.01889562	9.541677449	9.743992861	7.10182673	7.870690086	8.214670113	11.28135051	10.74306722	10.65239686
Uridine	3.465901343	4.301797172	4.01298879	4.290320156	2.378511623	3.918166555	3.217461404	3.462751782	4.125499964	3.232660757	3.972509468	4.996136866	3.066142009	2.906004617	2.663966438	3.41449149	3.435609345	2.888191291	3.549434692	3.163361883	3.86312242	3.744161096	3.74756061	4.972225703	3.079677432	3.734680521	2.751905943	1.887525271	2.058109625	2.392344767	3.83788251	3.547797326	3.606938857	4.498250868	4.510961919	4.44625623	3.63400205	3.900754523	2.688452328	3.489843341	2.839205129	5.157852169	4.902073579	5.040015679	5.048759312	5.247927513	4.658075359	4.897240426	2.180888079	3.688241619	3.031850568	5.472487771	4.590961241	5.399171094
3-hydroxyphenylacetic acid	2.822920104	1.5360529	2.482845384	2.847996907	2.114072123	0.765534746	2.707059667	2.700439718	2.432959407	3.070389328	2.10433666	3.581374169	2.256695106	2.102181741	1.367367231	3.217230716	1.137503524	1.826896664	2.129618808	1.963474124	2.754287101	3.454889588	3.548436625	3.777931698	2.305272286	2.263034406	2.432959407	1.835124324	1.298813116	1.511459322	2.652821111	3.197622116	2.432959407	4.087462841	4.292781749	2.864079102	1.632268215	2.722466024	2.1684611	2.341551165	1.324958955	3.700255822	2.292781749	4.326055868	4.073564139	3.885508611	3.43171612	5.026800059	2.232660757	3.523561956	2.204948815	3.858731231	4.602419938	4.64385619
Phosphocholine	4.419538892	4.354614304	1.137503524	4.908340477	4.932737105	3.879391853	3.860096142	4.970688317	4.870784525	4.881480575	4.976698359	5.563428849	6.362820526	5.714245518	5.680886921	3.741797743	4.194782252	3.497607133	4.373422572	4.121564162	4.471143564	4.464952882	4.504620392	4.87303903	4.171620026	4.425151575	2.070389328	6.173926932	2.940052455	3.154147606	4.397723054	4.860027898	4.269248421	5.019856385	4.744328185	5.071852517	4.409063845	4.468512793	3.947469415	5.217230716	3.465210732	2.608809243	5.149077679	5.472191387	5.286055494	5.105332142	4.945600526	4.808745638	4.161887682	4.247927513	4.319574685	5.281976806	5.15743434	4.622390363
Dimethylglycine	2.817961916	2.464089837	1.137503524	-1.321928095	2.10433666	1	1.887525271	2.201633861	2.478704445	3.499697319	2.263034406	2.807354922	2.632268215	1.814222537	0	1.070389328	0.378511623	-1	1.137503524	0.847996907	2.511113613	4.649615459	4.705977902	1.378511623	3.837943242	1.070389328	1.584962501	2.259364759	1.263034406	1.5737627	3.655351829	3.432959407	2.944858446	4.807354922	5.161887682	1.378511623	2.350497247	1.137503524	1.816500491	4.008988783	1.5360529	2.137503524	2.378511623	3.711494907	2.070389328	1.925999419	1.263034406	1.321928095	1.623656273	2.378511623	2.608809243	4.817623258	4.255500733	1.201633861
Glycolate	5.100136671	5.719678429	5.361023811	5.968090752	7.221103725	6.498250868	6.087462841	7.452035274	4.972692654	6.532940288	7.306517445	5.768184325	0.847996907	4.078951341	5.402585758	2.432959407	5.614709844	4.392317423	5.343407822	4.10433666	5.911691582	6.167919866	7.927777962	6.772149591	6.033423002	6.195741293	6.581953751	5.875669215	3.700439718	4.285402219	5.669593751	5.895171879	5.738767837	5.961160258	4.867896464	6.496807744	6.980710829	6.773468928	6.006746832	5.797012978	2.722466024	5.855491443	7.546122759	5.209453366	5.251719093	8.999718196	8.900263044	4.145677455	3.897240426	6.8899602	5.786596362	5.318316841	8.992371907	5.339850003
Sucrose	8.376776572	10.03553329	8.562189417	8.494655613	9.852997588	9.355036535	8.299119212	9.17467606	7.981852653	8.302674903	9.360847084	8.017506982	12.25499905	11.28384077	11.86550131	7.560714954	7.540709263	7.096978636	8.011786331	7.491853096	9.093021347	4.09592442	6.830356747	4.336283388	8.242697768	8.040015679	9.340740281	7.526107464	9.003096215	8.317864798	7.9795681	8.896635141	6.721099189	3.700439718	6.34394971	3.711494907	8.083660422	10.36643151	6.9795681	7.802839441	7.321026129	4.321928095	8.937520951	8.127736444	8.128767677	6.871875002	6.767118165	4.270528942	5.828575005	6.589070302	7.031218731	7.082973148	4.963474124	6.614260593
Trimethylamine	2.836921939	0.584962501	1.716338148	2.03562391	0.378511623	1.993571789	2.350497247	2.070389328	0.678071905	3.240875716	1.722466024	2.608809243	1.652995823	1.2127787	-1	1.5360529	1.070389328	1.070389328	1.788568827	1.637931774	1.751523096	1.263034406	3.392317423	2.292781749	1.914799022	0.931544588	-0.736965594	1.925999419	0.581500154	0.814871695	1.765534746	0.485426827	0.137503524	2.584962501	2.378511623	2.632268215	0.485426827	0.765534746	1.807354922	0.941453493	0.65325952	2.827819025	2.887525271	2.485426827	3.87774425	2.765534746	2.321928095	2.459431619	1.434561794	1.545351923	-0.152003093	2.232660757	3.897240426	2.485426827
3-hydroxyisovalerate	5.332707934	4.635443689	3.596935142	5.209453366	4.44625623	3.887525271	2.906890596	4.51279493	4.386650357	4.132289653	5.220682001	5.670831818	5.575917361	5.255500733	5.329123596	5.048759312	4.949534933	3.707457368	5.587964989	5.03562391	4.385431037	4.916476644	5.781359714	5.070389328	2.678071905	3.871171158	0.765534746	4.372177438	3.07898147	1.632268215	5.031218731	5.197708158	4.812498225	5.491853096	5.44625623	5.332707934	5.161887682	5.395748328	4.255500733	2.925999419	3.321928095	3.786596362	5.091699834	3.087462841	4.958842675	3.972692654	4.529820947	3.765534746	3.963474124	4.017921908	4.307428525	2.944858446	3.292781749	2.232660757
Anserine	2.925999419	5.266786541	2.632268215	3.121015401	3.217230716	3.087462841	3.201633861	1.722466024	3.10433666	2.459431619	2.350497247	4.267971277	2.560714954	2.632268215	1	3.523561956	1.263034406	3.053111336	2.608809243	3.655351829	3.153805336	4.705977902	5.091699834	4.584962501	1.765534746	2.321928095	2.608809243	1.678071905	1.738369817	2.678071905	0.678071905	5.240314329	4.930737338	5.213347282	5.193771743	1.137503524	2.321928095	3.260722023	1.263034406	2.591453185	1.937087163	4.566815154	3.744161096	3.916476644	4.529820947	5.031218731	3.392317423	5.048759312	3.392317423	1.722466024	2.571600103	5.357552005	2.655351829	3.925999419
Galactarate	5.997744026	5.749534268	5.87774425	4.548436625	5.539158811	3.560714954	6.157852169	6.23457796	6.341630009	5.575188096	6.183995791	6.369815424	5.988684687	7.610286657	6.960001932	7.40599236	6.900866808	7.075746538	6.129283017	5.882643049	5.435518615	6.444600814	6.44625623	6.696272084	4.412781525	3.754887502	4.439623138	4.255500733	4.217230716	6.173926932	7.77478706	6.76420813	6.925999419	8.769837844	6.799605422	7.544578117	5.314696526	6.14363831	6.14363831	6.760220946	5.986410935	7.524345816	6.586464526	6.078951341	5.314696526	8.373735202	8.168421411	6.602884409	4.968090752	4.121015401	7.12722055	8.566054038	8.758556362	7.666756592
N-Acetylglucosamine	2.678071905	4.634958841	3.890315495	4.819903664	4.265612412	4.292800563	3.767715933	4.336283388	5.221103725	4.766749645	4.478971805	5.766391371	3.307428525	4.44625623	4.419538892	5.070389328	3.572889668	2.722466024	3.916476644	3.666756592	4.452858965	3.711494907	4.314696526	5.28169825	4.504620392	5.744161096	3.925999419	3.682358557	1.584962501	3.444118172	3.887525271	3.169925001	3.689299161	4.770829046	4.193771743	4.963474124	5.292781749	3.678071905	3.733354341	4.121015401	3.414934848	4.087462841	4.145677455	5.911691582	5.935459748	4.99095486	5.205548911	5.83541884	4.378511623	5.157852169	3.699980975	4.727920455	4.862947248	4.432959407

metabolite_name	KEGG	PubChem
N-Acetylaspartic acid	C01042	65065
Pyridoxine	C00314	1054
Acetylsalicylate	C01405	2244
Dimethylamine	C00543	674
Pyruvate	C00022	1060
Xanthurenate	C02470	5699
Maltose	-	439186
Acetate	C00033	176
Valine	C00183	6287
glycerone	C00184	670
Ferulate	C01494	445858
glycerate 2-phosphate	-	59
Galactitol	C01697	11850
xylitol	C00379	6912
acetol	C01405	2244
Caffeine	C07481	2519
Glucarate	C00818	33037
Malonate	C00383	3673
Isobutyrate	C02632	6590
Biotin	C00120	171548
Ascorbate	C00072	3372
5-aminolevulinic acid	C00430	137
2-methylmaleate	C02226	643798
Glycine	C00037	750
3-methylhistidine	C01152	64969
Ethylene glycol	C01380	174
Thymine	C00178	1135
4-aminobutyrate	C00334	119
Methylguanidine	C02294	10111
Fructose	C10906	5984
Fucose	-	17106
Histamine	C00388	774
sorbitol	C00794	5780
xanthine	C00385	1188
Sarcosine	C00213	1088
1,7-dimethylxanthine	C13747	4687
5-Hydroxyindole-3-acetic acid	C05635	1826
Guanidoacetate	C00581	763
Lactose	-	440995
Creatine	C00300	586
Syringate	C10833	10742
Glycerate	C00258	439194
Uridine	C00299	6029
3-hydroxyphenylacetic acid	C05593	12122
Phosphocholine	C00588	1014
Dimethylglycine	C01026	673
Glycolate	C00160	3460
Sucrose	C00089	5988
Trimethylamine	C00565	1146
3-hydroxyisovalerate	C20827	254741293
Anserine	C01262	112072
Galactarate	C00879	3037582
N-Acetylglucosamine	C00140	439174