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