#METABOLOMICS WORKBENCH cmartias_20210927_005658 DATATRACK_ID:2867 STUDY_ID:ST001970 ANALYSIS_ID:AN003213 PROJECT_ID:000000 VERSION 1 CREATED_ON October 25, 2021, 11:41 am #PROJECT PR:PROJECT_TITLE Analytical methodology for a metabolome atlas of goat’s plas-ma, milk and PR:PROJECT_TITLE feces using 1H-NMR and UHPLC-HRMS PR:PROJECT_SUMMARY Metabolomics has been increasingly used in animal and food sciences. Animal PR:PROJECT_SUMMARY health is one of the most important factors that can also alter animal integrity PR:PROJECT_SUMMARY and welfare. Some studies have already investigated the link between health and PR:PROJECT_SUMMARY metabolic profile of dairy animals. These studies in metabolomics often consider PR:PROJECT_SUMMARY a single type of sample using a single analytical platform (Nuclear Magnetic PR:PROJECT_SUMMARY Resonance or Mass Spectrometry). Only few studies with multi-platform approaches PR:PROJECT_SUMMARY are also used with a single or a multi type of sample, but they mainly consider PR:PROJECT_SUMMARY dairy cows metabolome although dairy goats present similar diseases, that it PR:PROJECT_SUMMARY could be interesting to detect early to preserve animal health and milk PR:PROJECT_SUMMARY production. This study aims to create a metabolic atlas of goat plasma, milk, PR:PROJECT_SUMMARY and feces, based on healthy animals. Our study describes a Standard Operating PR:PROJECT_SUMMARY Procedure for three goat matrices: blood plasma, milk, and feces using multiple PR:PROJECT_SUMMARY platforms (NMR (1H), UHPLC (RP)-MS and UHPLC (HILIC)-MS) that follows a unique PR:PROJECT_SUMMARY sample preparation procedure for each sample type to be analyzed on PR:PROJECT_SUMMARY multi-platforms basis. Our method was evaluated for its robustness and allowed a PR:PROJECT_SUMMARY better characterization of goat metabolic profile in healthy conditions. PR:INSTITUTE INSERM PR:LAST_NAME Martias PR:FIRST_NAME Cecile PR:ADDRESS 10 Boulevard tonnelé, Tours, Indre et Loire, 37000, France PR:EMAIL cecile.martias@univ-tours.fr PR:PHONE 0247366351 #STUDY ST:STUDY_TITLE Analytical methodology for a metabolome atlas of goat’s plasma, milk and feces ST:STUDY_TITLE using 1H-NMR and UHPLC-HRMS:MS/milk ST:STUDY_SUMMARY Metabolomics has been increasingly used in animal and food sciences. Animal ST:STUDY_SUMMARY health is one of the most important factors that can also alter animal integrity ST:STUDY_SUMMARY and welfare. Some studies have already investigated the link between health and ST:STUDY_SUMMARY metabolic profile of dairy animals. These studies in metabolomics often consider ST:STUDY_SUMMARY a single type of sample using a single analytical platform (Nuclear Magnetic ST:STUDY_SUMMARY Resonance or Mass Spectrometry). Only few studies with multi-platform approaches ST:STUDY_SUMMARY are also used with a single or a multi type of sample, but they mainly consider ST:STUDY_SUMMARY dairy cows metabolome although dairy goats present similar diseases, that it ST:STUDY_SUMMARY could be interesting to detect early to preserve animal health and milk ST:STUDY_SUMMARY production. This study aims to create a metabolic atlas of goat plasma, milk, ST:STUDY_SUMMARY and feces, based on healthy animals. Our study describes a Standard Operating ST:STUDY_SUMMARY Procedure for three goat matrices: blood plasma, milk, and feces using multiple ST:STUDY_SUMMARY platforms (NMR (1H), UHPLC (RP)-MS and UHPLC (HILIC)-MS) that follows a unique ST:STUDY_SUMMARY sample preparation procedure for each sample type to be analyzed on ST:STUDY_SUMMARY multi-platforms basis. Our method was evaluated for its robustness and allowed a ST:STUDY_SUMMARY better characterization of goat metabolic profile in healthy conditions. ST:INSTITUTE INSERM ST:LAST_NAME Martias ST:FIRST_NAME Cecile ST:ADDRESS 10 Boulevard tonnelé, Tours, Indre et Loire, 37000, France ST:EMAIL cecile.martias@univ-tours.fr ST:PHONE 0247366351 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Goat SU:TAXONOMY_ID 9925 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - L_200_P1_1 Protocole:P1 RAW_FILE_NAME=L_200_P1_1 SUBJECT_SAMPLE_FACTORS - L_200_P1_2 Protocole:P1 RAW_FILE_NAME=L_200_P1_2 SUBJECT_SAMPLE_FACTORS - L_200_P1_3 Protocole:P1 RAW_FILE_NAME=L_200_P1_3 SUBJECT_SAMPLE_FACTORS - L_200_P1_4 Protocole:P1 RAW_FILE_NAME=L_200_P1_4 SUBJECT_SAMPLE_FACTORS - L_200_P1_5 Protocole:P1 RAW_FILE_NAME=L_200_P1_5 SUBJECT_SAMPLE_FACTORS - L_200_P1_6 Protocole:P1 RAW_FILE_NAME=L_200_P1_6 SUBJECT_SAMPLE_FACTORS - L_200_P1_7 Protocole:P1 RAW_FILE_NAME=L_200_P1_7 SUBJECT_SAMPLE_FACTORS - L_200_P1_8 Protocole:P1 RAW_FILE_NAME=L_200_P1_8 SUBJECT_SAMPLE_FACTORS - L_200_P1_9 Protocole:P1 RAW_FILE_NAME=L_200_P1_9 SUBJECT_SAMPLE_FACTORS - L_200_P1_10 Protocole:P1 RAW_FILE_NAME=L_200_P1_10 SUBJECT_SAMPLE_FACTORS - L_200_P3_1 Protocole:P3 RAW_FILE_NAME=L_200_P3_1 SUBJECT_SAMPLE_FACTORS - L_200_P3_2 Protocole:P3 RAW_FILE_NAME=L_200_P3_2 SUBJECT_SAMPLE_FACTORS - L_200_P3_3 Protocole:P3 RAW_FILE_NAME=L_200_P3_3 SUBJECT_SAMPLE_FACTORS - L_200_P3_4 Protocole:P3 RAW_FILE_NAME=L_200_P3_4 SUBJECT_SAMPLE_FACTORS - L_200_P3_5 Protocole:P3 RAW_FILE_NAME=L_200_P3_5 SUBJECT_SAMPLE_FACTORS - L_200_P3_6 Protocole:P3 RAW_FILE_NAME=L_200_P3_6 SUBJECT_SAMPLE_FACTORS - L_200_P3_7 Protocole:P3 RAW_FILE_NAME=L_200_P3_7 SUBJECT_SAMPLE_FACTORS - L_200_P3_8 Protocole:P3 RAW_FILE_NAME=L_200_P3_8 SUBJECT_SAMPLE_FACTORS - L_200_P3_9 Protocole:P3 RAW_FILE_NAME=L_200_P3_9 SUBJECT_SAMPLE_FACTORS - L_100_P4_1 Protocole:P4 RAW_FILE_NAME=L_100_P4_1 SUBJECT_SAMPLE_FACTORS - L_100_P4_2 Protocole:P4 RAW_FILE_NAME=L_100_P4_2 SUBJECT_SAMPLE_FACTORS - L_100_P4_3 Protocole:P4 RAW_FILE_NAME=L_100_P4_3 SUBJECT_SAMPLE_FACTORS - L_100_P4_4 Protocole:P4 RAW_FILE_NAME=L_100_P4_4 SUBJECT_SAMPLE_FACTORS - L_100_P4_5 Protocole:P4 RAW_FILE_NAME=L_100_P4_5 SUBJECT_SAMPLE_FACTORS - L_100_P4_6 Protocole:P4 RAW_FILE_NAME=L_100_P4_6 SUBJECT_SAMPLE_FACTORS - L_100_P4_7 Protocole:P4 RAW_FILE_NAME=L_100_P4_7 SUBJECT_SAMPLE_FACTORS - L_100_P4_8 Protocole:P4 RAW_FILE_NAME=L_100_P4_8 SUBJECT_SAMPLE_FACTORS - L_100_P4_9 Protocole:P4 RAW_FILE_NAME=L_100_P4_9 SUBJECT_SAMPLE_FACTORS - L_100_P4_10 Protocole:P4 RAW_FILE_NAME=L_100_P4_10 #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Milk #TREATMENT TR:TREATMENT_SUMMARY P1 : Milk:MeOH:CHCl3 1:1:1 P3: Milk:MeOH:CHCl3 1:2.5:2.5 P4: Milk:H2O:MeOH:CHCl3 TR:TREATMENT_SUMMARY 1:3:4:6 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters CH:COLUMN_NAME Waters Cortecs (unbonded silica 1.6µm 100 A 150x2.1mm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS SI MS_METABOLITE_DATA_START Samples L_200_P1_1 L_200_P1_2 L_200_P1_3 L_200_P1_4 L_200_P1_5 L_200_P1_6 L_200_P1_7 L_200_P1_8 L_200_P1_9 L_200_P1_10 L_200_P3_1 L_200_P3_2 L_200_P3_3 L_200_P3_4 L_200_P3_5 L_200_P3_6 L_200_P3_7 L_200_P3_8 L_200_P3_9 L_100_P4_1 L_100_P4_2 L_100_P4_3 L_100_P4_4 L_100_P4_5 L_100_P4_6 L_100_P4_7 L_100_P4_8 L_100_P4_9 L_100_P4_10 Factors Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 L(-)-Nicotine 0012666235 0009528893 001217003 0013095145 0012532732 0013064389 0012878238 0012492208 0010004488 0014996315 1-Methyladenosine 0000588323 0000869931 0000677589 0000778419 0000779661 0000171522 0000144169 0000680574 0000711219 0000701718 0000412977 0000539957 0000364591 0000418971 0000122731 903291E-05 0000390831 0000231157 0000363908 853631E-05 943171E-05 853065E-05 909677E-05 773028E-05 870985E-05 97209E-05 952733E-05 0000101641 609425E-05 Glyceryl monoacetate 0000659924 0000992313 0001007638 000098982 0001024147 0000683962 0000756167 0001118758 0001162485 0001005029 0001008081 000096365 0000785831 0000779093 0000681585 0000622251 0000499895 0000460448 0001080623 553559E-05 313187E-05 252875E-05 82017E-06 507533E-06 473737E-06 564288E-06 202565E-06 283998E-05 490454E-06 3-Hydroxycapric acid 8758E-06 142509E-05 829434E-06 874496E-06 750969E-06 784075E-06 708072E-06 715088E-06 102211E-05 451551E-06 2-Aminophenol 369201E-05 613569E-05 408522E-05 429289E-05 43755E-05 43921E-05 437717E-05 419976E-05 604572E-05 317875E-05 2-Hydroxypyridine 444371E-05 0000103902 566033E-05 449159E-05 609272E-05 519082E-05 455406E-05 511918E-05 677337E-05 255051E-05 2-Methylglutaric acid 285855E-05 48188E-05 376522E-05 485491E-05 476662E-05 304864E-05 485981E-05 672226E-05 372409E-05 653648E-05 2,6-Dihydroxypyridine 453491E-06 970897E-06 598564E-06 330076E-06 134143E-06 177563E-06 114487E-06 394173E-06 202729E-05 104897E-05 Cyclic AMP 603067E-05 48903E-05 593062E-05 600212E-05 665132E-05 573297E-05 61592E-05 617375E-05 503557E-05 765099E-05 3-Methylglutaric acid 285855E-05 48188E-05 376522E-05 485491E-05 476662E-05 304864E-05 485981E-05 672226E-05 372409E-05 653648E-05 3-Methyladenine 188016E-05 291264E-05 17827E-05 213123E-05 197828E-05 184167E-05 188611E-05 176184E-05 253993E-05 129479E-05 4-Acetamidobutanoic acid 0001212914 0001996999 0001265442 0001200444 0001269688 0001139335 0001205875 0001176716 0001593621 0000910895 Gamma-Aminobutyric acid 000047546 0000676211 0000478974 0000507387 0000500298 0000449312 0000497088 0000495051 0000633405 0000389822 Kynurenic acid 0000282712 0000298932 000028342 0000291562 0000299375 0000355749 0000354358 000028633 0000300776 000027879 0000297689 0000287941 0000275149 0000295301 0000327921 0000367626 0000285446 0000315404 000026012 5'-Deoxyadenosine 783049E-05 0000140898 0000144996 000013524 0000159476 0000145687 0000123899 0000173284 0000144392 484997E-05 830165E-05 0000120487 649893E-05 882458E-05 0000103117 712436E-05 0000110037 577364E-05 0000103898 5'-Methylthioadenosine 0000350123 0000372975 0000357683 0000136163 0000130578 74984E-05 520857E-05 0000365943 0000387778 0000142137 0000258975 0000360234 0000137164 0000123306 0000118561 632402E-05 0000116943 87448E-05 0000140759 633472E-05 000014673 675556E-05 621301E-05 759187E-05 749479E-05 692586E-05 691008E-05 0000110153 421735E-05 5-Aminolevulinic acid 952942E-05 785931E-05 96791E-05 983899E-05 983182E-05 0000101842 0000101714 93574E-05 812978E-05 0000125228 5-Hydroxyindoleacetic acid 703386E-06 178238E-05 822232E-06 817884E-06 830901E-06 91536E-06 728993E-06 841237E-06 907665E-06 565296E-06 Dihydrouracil 278873E-05 0000141756 887721E-05 0000107839 479851E-05 344639E-05 0000126989 557252E-05 953141E-05 Adenine 7058E-05 0000119852 739873E-05 654656E-05 70246E-05 68556E-05 60952E-05 673097E-05 0000103877 426062E-05 Adenosine 0023753852 0028951318 0029326699 0024893504 0028102099 0010209295 0008903761 0020656787 002811041 0027567022 0020732908 0025388015 0022766693 0020448976 0004821154 0004356193 0016847548 0008403845 0017810854 Adipic acid 285855E-05 48188E-05 376522E-05 485491E-05 476662E-05 304864E-05 485981E-05 672226E-05 372409E-05 653648E-05 Allantoin 0000243542 0000326434 0000333641 000031131 0000335468 0000308624 0000252124 0000372223 0000343461 0000290074 0000305882 0000339217 0000281326 0000307456 0000326945 0000266384 0000283396 0000232692 0000358992 0000182036 0000274179 0000205459 0000184631 000020995 0000215673 000018299 0000194248 0000265512 0000131003 Alpha-D-Galactose-1-phosphate 913978E-06 821748E-06 961355E-06 109937E-05 120302E-05 860252E-06 156405E-05 13134E-05 104583E-05 120579E-05 Alpha-Tocopherol 0000122994 00005375 000191129 0000709234 0002579886 0000322369 0000463375 0000144494 0000282346 0000146428 2-Aminobenzoic acid 0000423958 0000553191 0000503603 0000472557 0000515353 0000450219 000044416 0000537587 0000540765 0000550732 0000404164 0000412458 0000428892 0000373307 0000417573 0000343817 000040877 0000352605 000040037 Azelaic acid 0000486543 0000299518 0000397664 000033281 000033274 0000175803 0000422081 0000298363 0000323359 Beta-Alanine 0000707095 0000587837 0000667823 0000698064 0000673784 000072119 0000668129 0000693994 0000611321 0000737791 Betaine 0308725549 0331720998 0323585217 0308823836 031672642 0305912235 0301029097 0308118976 0341583981 0259588326 Biotin 119654E-05 137322E-05 691632E-06 113068E-05 10635E-05 950199E-06 985412E-06 11463E-05 98919E-06 122553E-06 Butanal 842018E-05 000013954 637492E-05 782758E-05 00001126 861184E-05 849889E-05 812325E-05 0000141377 498489E-05 Carnosine 778867E-06 230056E-06 598364E-06 745537E-06 593917E-06 157011E-05 715239E-06 668237E-06 416947E-06 172555E-05 Citramalic acid 341749E-05 452147E-05 513633E-05 484853E-05 684382E-05 676919E-05 337324E-05 453923E-05 419049E-05 37012E-05 Citrulline 0000163107 000011697 0000153122 0000162411 0000151412 0000193705 0000159274 0000157938 0000117775 0000250118 Creatine 0045095119 0037337924 0042096804 0044638551 0042368794 0045598981 0043388455 0044188702 0039300023 0049190924 Creatinine 008257013 0130111122 0089956173 0080818826 008336649 0081920198 0083172202 0085275721 0107923829 0075530482 Cytidine 2,3- cyclic monophosphate 953605E-06 790476E-06 752363E-06 107524E-05 936179E-06 421803E-06 390741E-06 139893E-05 109555E-05 804933E-06 964933E-06 711341E-06 10931E-05 785285E-06 447832E-06 918785E-06 837411E-06 174808E-05 575778E-06 Cytosine 0005076979 0006241961 0005339085 0005772615 0005680536 0005511907 00050292 0005703239 0005676956 0005674854 0000774152 0000879724 0000785494 0000819057 0000700639 0000717436 000079076 0000788698 0000913194 0000627534 Pantothenic acid 0029311508 0027242215 0026745988 0027431269 0024254134 0028219229 0033312481 0024736866 002399266 00258685 0024975098 0026185487 0027518355 002426047 0027715782 0030862527 0023417468 0032014766 0023420576 0002059191 0001624744 0001944475 0002190208 0001935207 0001928516 0002410392 0002169657 000173161 0002839505 4-Trimethylammoniobutanoic acid 0025631802 0021722249 0022190572 0022700412 0021462706 0014572951 0016009731 0019436231 002072925 0021483623 0009782619 0007494562 000937619 0010019814 0009307226 0010265275 0010014937 0009920703 0007716012 0013002586 Deoxycytidine 585782E-06 943291E-06 650016E-06 735604E-06 757392E-06 479173E-06 706691E-06 743825E-06 793823E-06 545207E-06 Dethiobiotin 222599E-06 0000157783 0000127294 0000131139 00002061 0000173592 000014527 654089E-05 0000132159 Diacetyl 219603E-05 373197E-05 306015E-05 287327E-05 359917E-05 277627E-05 210812E-05 239546E-05 239297E-05 999361E-06 Diethanolamine 0000536392 0000449734 0000573849 000140493 0000611674 0000470095 000066509 0000394901 0001715213 0000418873 0000486915 0000625308 0000681043 0000524722 0000457024 0000382505 0000585186 0000512909 0000906591 0000276072 0000492878 0000431755 0000193281 0000502432 0000220022 0000167854 000016059 0000256101 0000532407 4-Heptenal diethyl acetal 662591E-05 723654E-05 656651E-05 455837E-05 717146E-05 484627E-05 518863E-05 845537E-05 836883E-05 648756E-05 662761E-05 734511E-05 749278E-05 735491E-05 776494E-05 569488E-05 839375E-05 42946E-05 722904E-05 5-Hydroxylysine 836361E-06 969403E-06 453863E-06 430699E-06 509146E-06 837272E-06 579808E-06 948836E-06 0000119609 17a-Estradiol 132959E-05 185389E-05 17323E-05 174002E-05 2544E-05 729014E-06 941795E-06 172518E-05 18812E-05 137856E-05 756848E-06 149781E-05 104211E-05 647935E-06 133395E-05 729356E-06 615483E-06 529416E-06 144264E-05 706922E-06 Ethanolamine 0000412215 0000412838 000044805 0000415144 0000427246 0000960641 0000925588 0000519943 0000484742 0000407876 0000438341 0000466136 0000435386 0000437008 0000938748 0000993976 0000484405 0000679256 000047438 0000100428 0000107832 948982E-05 964447E-05 938393E-05 904145E-05 866492E-05 945818E-05 0000107527 796607E-05 trans-Ferulic acid 303862E-05 315788E-05 282381E-05 275626E-05 299276E-05 28218E-05 326883E-05 367787E-05 372603E-05 226951E-05 Gamma-Linolenic acid 0000230739 0000313634 0000255166 0000315151 0000347333 0000105449 0000108572 0000269389 000032691 0000285339 0000167318 0000161042 824977E-05 0000139471 674727E-05 473209E-05 0000150572 533333E-05 0000139333 283654E-05 659323E-05 308216E-05 228674E-05 196911E-05 236409E-05 220778E-05 205864E-05 417073E-05 152012E-05 Glycine 00007708 0000614835 0000678649 0000638014 0000660351 0000338559 0000304869 0000619449 0000618144 0000636163 0000788425 0000765943 000114039 0000964766 0000365007 0000524296 0000771762 0001018856 0000754986 704828E-05 555041E-05 702648E-05 835178E-05 666077E-05 795317E-05 777626E-05 771544E-05 573973E-05 981908E-05 Glycolaldehyde dimer 0005942595 0008035567 0007560917 0006993183 0008675166 000692547 0005068393 0008754213 0007910441 000673262 000735065 0007123179 0005944827 0005652752 0005192561 0005121278 0005719672 0003924197 0006033574 0000699517 0001343189 0000674777 0000814101 0000737419 0000887116 0000734533 0000871156 0000961729 0000620364 Guanidoacetic acid 0002966932 0002368874 0002633035 000289869 0002370733 0002825745 0002605416 0002104436 0002520216 0002525962 0003546368 0002499514 0002647877 0002869023 0002442186 0002606093 0003134407 0002552702 0002424424 00011767 0001195123 0001167898 0001192981 0001167913 00011744 0001139066 0001170901 0001274796 0001020329 Guanine 000099114 0001306765 0000968781 0000945359 0000740365 0000937036 0001005258 0001006801 0001268764 0000635005 Guanosine 0002460217 0003100814 0002587789 0002735247 0002782588 0002303385 0002107409 000274611 0002737902 0002766723 0002566365 0002711049 0002423546 000241142 0001918435 0001983718 0002488922 0002542655 0002227465 0000200191 0000241765 0000193134 0000190301 0000165894 0000178809 0000208671 0000200932 0000244618 0000170598 Heptanoic acid 532745E-05 695866E-05 842476E-05 699731E-05 469083E-05 747629E-05 69143E-05 0000114857 534159E-05 726275E-05 789923E-05 964363E-05 665129E-05 725002E-05 603121E-05 425336E-05 64936E-05 427443E-05 434047E-05 469625E-05 684107E-05 363718E-05 40255E-05 527914E-05 451053E-05 400653E-05 35964E-05 633795E-05 241104E-05 Caproic acid 0000115785 0000206192 0000162484 0000151464 0000132383 0000125087 000011965 0000121092 0000167968 891497E-05 Hippuric acid 294902E-05 364334E-05 283862E-05 259571E-05 272566E-05 267521E-05 298982E-05 267784E-05 31577E-05 250154E-05 Homogentisic acid 0002741262 0003266706 0002992422 0002762809 0003204286 0000942235 0000841161 0002797425 0002989871 0002849244 0002658174 0003012668 0002576365 0002759943 0000924287 0000776838 0002430038 0001707502 0002423422 0000252298 000031955 0000242801 0000266457 0000285594 000024709 0000295979 0000293403 0000294806 0000229215 L-Homoserine 0000301738 0000222955 0000267052 0000258731 0000259696 838586E-05 90891E-05 0000201156 0000215246 0000245103 0000320579 000026653 0000374119 0000303517 839051E-05 000012155 0000267337 0000280669 0000268541 Hypoxanthine 0014820522 0017244496 001469393 0014522016 001242945 0013849261 0016979104 0015370982 0017117469 001316054 Indole 717624E-05 0000142267 0000146869 592735E-05 0000121286 400831E-05 489912E-05 354251E-05 928559E-05 27257E-05 Tryptophanol 266306E-05 466785E-05 244752E-05 273963E-05 282017E-05 254501E-05 297312E-05 243587E-05 42056E-05 175591E-05 Indolepyruvate 585097E-05 867587E-05 669822E-05 610447E-05 711523E-05 679169E-05 588974E-05 694149E-05 843983E-05 391742E-05 Inosine 0012402991 0016120865 0013960237 0015215011 001511162 0013324275 001233465 0015400098 0014846946 0014228749 0014470638 0015343054 0012327974 0012931817 0012331699 0011571843 0014834891 0012714363 0013687572 0001366822 0001535057 0001353556 0001358438 0001135839 0001259239 0001604143 0001420539 0001539435 0001337143 L-Allothreonine 000025565 0000219034 0000243226 0000261257 0000250903 920369E-05 92271E-05 0000194422 0000196046 0000231583 423598E-05 421187E-05 333803E-05 423866E-05 317959E-05 352673E-05 40596E-05 333822E-05 387907E-05 447037E-05 L-Arginine 0001810319 0001356243 0001549187 0001420654 0001682525 0001290033 0001108859 0001575808 0001534295 0001376853 0001910215 0003091202 0003325095 0002668837 0001492343 0002220778 0001921168 0003187061 0001757795 0000278403 0000289387 0000269695 0000257711 0000232037 0000448588 0000257945 0000247002 0000188432 0000510294 L-Asparagine 352666E-05 305317E-05 305575E-05 294721E-05 366852E-05 125172E-05 125784E-05 303199E-05 230245E-05 271675E-05 32681E-05 410525E-05 498889E-05 394847E-05 147798E-05 177337E-05 348911E-05 394499E-05 327978E-05 162228E-05 180224E-05 227997E-05 185182E-05 490181E-06 240138E-05 334321E-06 225602E-05 562918E-06 450531E-06 L-Carnitine 0163381469 0125528596 0158295349 0170423911 0163522188 0170548049 016683721 0163123564 0131157741 0194785889 L-Glutamic acid 63726E-05 506258E-05 634528E-05 680412E-05 548143E-05 000015449 591227E-05 568388E-05 354852E-05 0000180734 L-Glutamine 000074516 0000574658 000071251 0000770966 0000711777 0000814783 0000721875 0000701046 000056689 0001001069 L-Isoleucine 0000203761 0000183888 0000156856 0000178966 0000178897 0000141612 0000167839 0000177533 0000184344 0000149174 L-Lysine 0000179574 0000132037 0000154839 109224E-05 0000171461 0000145858 857302E-05 0000168959 0000168016 0000133328 000021226 0000288971 0000339015 00002637 0000160055 0000228696 0000184381 0000323017 0000175582 L-Methionine 00001129 0000143534 0000149786 0000154959 0000157571 0000102216 899777E-05 0000126842 0000140908 0000152499 L-Phenylalanine 000117007 0001323019 0001322799 0001295507 0001348333 0001246227 0001224656 0001297968 000135513 0001344837 0001155234 000128881 0001193805 0001173473 0001076387 0001064394 0001187957 0001039961 0001035767 0000163912 0000192557 000016424 0000174621 0000161204 0000152114 0000170636 0000162418 0000205281 0000135704 L-Proline 0011910994 0010170462 0010854887 0010583947 0010085786 0004366813 0004406014 0008677741 0009471833 0008917131 0011017391 0010888968 0013283151 001184748 0004570619 0005167958 0010024801 0009599654 0010232921 0002992292 000253277 0002821241 000313067 0002850167 0002794857 0003027171 000291899 0002869323 0003152285 L-Serine 0000449619 0000389658 00004192 0000389789 0000443197 0000183195 0000174783 0000364179 000038962 0000358789 0000497922 0000457051 0000615248 0000519578 0000197403 0000235897 0000435639 0000490283 0000466914 592024E-05 467899E-05 659907E-05 693453E-05 678214E-05 735457E-05 673273E-05 674483E-05 592946E-05 877744E-05 L-Threonine 0000317487 0000239726 0000284544 0000276036 000027722 927251E-05 980955E-05 0000217666 0000230003 0000264892 0000340125 0000280654 0000395333 0000324702 957533E-05 0000130831 000028429 0000299729 0000287389 L-Tryptophan 000251448 0000369419 0002361412 0000490749 0002575833 0001932555 0001959931 0002458809 0002212934 0000866513 0002704975 0002175246 000190752 0002275859 0001930013 0001373943 0000812427 0001461104 0002314668 0000148082 0000201804 0000144422 0000152876 0000153321 0000159362 0000161007 0000151018 0000193578 0000183023 Tryptophanamide 625962E-06 237339E-06 549589E-06 582513E-06 454912E-06 834036E-06 114948E-05 15768E-05 535374E-06 439366E-06 962172E-06 706736E-06 657009E-06 125892E-05 892497E-06 107315E-05 524901E-06 207967E-06 589758E-06 L-Tyrosine 0000751442 0000780554 0000839827 0000886468 0000721391 0000533673 0000601469 0000741233 0000722091 0000797902 0000747004 0000788355 0000907689 000093784 0000489511 0000455646 000089559 0000518111 0000763 536307E-05 674702E-05 625748E-05 586062E-05 545162E-05 474362E-05 40414E-05 499865E-05 604291E-05 377521E-05 L-Valine 0828553268 0815196015 0821166329 0824316766 0817632271 0850574359 0851884255 0824694679 0821225821 0829856617 0861327315 0849382627 0859503845 0864717276 0883251216 0882087638 0870564246 0873033643 0870726989 L-Leucine 0000268173 0000319629 0000284645 0000295016 0000260036 000023446 0000273915 0000278289 0000314249 0000233753 Lipoamide 654322E-05 0000100809 992323E-05 911339E-05 0000128283 995593E-05 943685E-05 0000120665 000011008 881966E-05 0000113616 491857E-05 900139E-05 901074E-05 862156E-05 785059E-05 0000109221 886466E-05 0000113729 Lumichrome 0002364583 0002860439 0002829326 0002433996 0002907615 0002242497 0002060113 0003178866 0002918184 0002484456 0002015006 0001997197 0001473381 00019685 0001877049 0001374119 0002069459 0001281611 0002000991 0000100746 0000206896 986121E-05 829693E-05 0000106584 944325E-05 997036E-05 888181E-05 000017587 724309E-05 D-Mannose 0002726901 0003253988 0002979227 0002746464 000318221 0000938291 0000838133 0002786512 0002974734 0002849244 0002644512 0003001477 0002562692 0002745705 0000924287 0000773856 0002430038 000169904 0002414376 0000256695 0000325383 0000247686 0000273116 0000286837 0000251914 0000303408 0000298538 0000297721 0000231754 Melatonin 357459E-05 728821E-05 36221E-05 358594E-05 408015E-05 33051E-05 314312E-05 358662E-05 430685E-05 207529E-05 Methyl jasmonate 0000151654 0000189011 0000173881 0000184957 0000212787 669725E-05 874431E-05 0000222904 0000195453 0000165124 40534E-05 264517E-05 193177E-05 208194E-05 162778E-05 192436E-05 463977E-05 215866E-05 243749E-05 10326E-05 Methylguanidine 0000176405 0000277742 0000253583 000027013 0000264747 0000207262 0000224125 0000259613 0000261778 0000219083 508412E-05 870281E-05 577532E-05 524147E-05 582449E-05 534518E-05 505153E-05 512795E-05 755553E-05 43737E-05 Mono methyl glutaric acid 28593E-05 482084E-05 376326E-05 486563E-05 478165E-05 311797E-05 486411E-05 678015E-05 372348E-05 655168E-05 N-Methyltryptamine 0001811895 0001361085 0001555799 000142437 0001687786 0001296333 0001112961 0001578929 0001534527 0001379137 0001915885 0003095225 0003328323 0002668951 0001495613 0002225852 0001923953 0003188343 0001748698 0000267491 0000282212 0000269287 0000257375 0000227299 0000451671 0000253453 0000247478 0000185012 0000521094 N-Acetyl-D-glucosamine 0000624422 0000648826 0000346698 0000347499 0000256512 0001053837 0001170686 0000245047 0000201718 0000211477 0000319562 0000678682 0000783804 0000607239 0001057332 0001407523 0000315807 0001163284 0000592546 932677E-05 835566E-05 80338E-05 861741E-05 723814E-05 722353E-05 884855E-05 82799E-05 336858E-05 866242E-05 N-Acetylmannosamine 0000623597 0000648988 0000346698 0000347499 0000256512 0001053837 0001170686 0000245047 0000201718 0000211477 0000319562 0000678206 0000787992 000059663 0001058409 0001408075 0000315807 0001163284 0000593005 N-Acetyl-L-phenylalanine 674997E-05 000011868 743848E-05 701594E-05 810138E-05 740866E-05 794592E-05 753514E-05 00001024 621634E-05 N-Acetylneuraminate 181565E-05 221852E-05 203207E-05 221814E-05 236365E-05 214898E-05 177367E-05 21271E-05 202695E-05 218378E-05 203439E-05 173726E-05 155328E-05 20444E-05 163003E-05 131094E-05 182459E-05 126134E-05 164207E-05 N-Acetylputrescine 0000162284 0000156628 0000158217 0000153224 0000139868 0000381878 00004083 0000186462 0000153629 000014191 0000157673 0000175037 0000173178 0000171541 0000391178 0000426888 0000174613 0000290027 0000166704 374176E-05 387458E-05 387421E-05 165366E-05 384748E-05 337502E-05 398826E-05 36727E-05 409578E-05 348614E-05 N-Acetylserotonin 722233E-06 179508E-05 902652E-06 675761E-06 100296E-05 798462E-06 684835E-06 791914E-06 108049E-05 476279E-06 Dimethyl-1,4-Phenylenediamine 746395E-05 489583E-05 564678E-05 526588E-05 461981E-05 277675E-05 280212E-05 491958E-05 404768E-05 486518E-05 32892E-05 296395E-05 217216E-05 464803E-05 231668E-05 19274E-05 356543E-05 25807E-05 279673E-05 0000212121 0000431009 0000231831 0000218908 0000252832 0000214397 0000183298 0000204277 0000272904 0000101616 N6-(delta2-Isopentenyl)-adenine 25266E-05 333695E-05 257971E-05 311769E-05 287301E-05 134921E-05 165987E-05 290153E-05 333345E-05 208497E-05 N,N,N-Trumethyllysine 752223E-05 555977E-05 730511E-05 737878E-05 725763E-05 0000111275 763994E-05 689083E-05 480204E-05 0000142956 Niacinamide 0017621917 0035672644 0019733889 0017601243 0020499109 0019206006 0016923377 0018218964 0025427863 0010315198 L-Norleucine 851381E-06 948942E-06 253169E-05 283421E-05 330662E-05 146421E-05 751594E-05 122626E-05 725588E-06 0000234734 0000269103 000022305 0000250169 0000240355 0000179998 0000250459 0000232399 0000255383 0000206911 L-Acetylcarnitine 0230997066 0201940906 0218111646 0221137194 0226983156 0220518526 0232344981 0230773225 0215341679 0223157258 Paraxanthine 0002672173 0003200244 0002925334 0002679729 0003117662 0000921106 0000816877 0002722801 0002903181 0002801866 0002575358 0002916074 0002496812 000268416 0000898167 0000755794 0002358244 0001650646 0002369466 0000246538 0000311851 0000236664 0000259092 0000281252 0000239516 0000282204 0000281626 0000289946 0000223145 Pipecolic acid 0024461877 002328539 0023359145 0024418697 0023648472 0022215134 0025044939 0024024762 002511996 002332265 Propanal 0000182681 0000361445 0000388507 0000350715 0000123573 0000235503 0000175296 0000377258 0000179995 0000207133 0000311918 0000300602 0000140867 0000158462 0000198619 0000162715 0000370569 00001484 0000315965 809401E-05 0000153741 000010735 0000103218 893372E-05 90439E-05 791863E-05 892916E-05 0000117039 629058E-05 Pterin 0000154198 0000153391 0000203347 0000166179 0000170396 0000155512 0000147411 0000181713 0000216395 0000164773 000013372 831318E-05 0000124299 0000110655 0000121333 0000101187 0000130731 0000108346 000014326 Pyrrole-2-carboxylic acid 202665E-05 308782E-05 216031E-05 187591E-05 218063E-05 208705E-05 222223E-05 204323E-05 263087E-05 15484E-05 2,3-Dihydroxypropyl tetradecanoate 0000104271 0000104774 000014938 0000108636 0000148685 000010638 0000104725 0000221172 0000166329 0000137225 0000162696 0000115099 0000118811 0000124399 754811E-05 674514E-05 000012382 660029E-05 0000148186 Riboflavin 0000203744 0000375032 0000226457 0000222903 0000238221 0000215958 0000233513 0000215203 0000277103 0000168058 Salicylamide 0000423365 0000580155 0000544785 0000501621 0000549182 0000481341 0000468447 0000554149 0000580129 0000563889 0000419279 0000442242 0000428721 000039394 0000424766 0000366254 0000424724 0000390923 0000428619 Salicylate 0000365269 0000565025 0000372365 0000455512 0000406323 0000376151 0000442748 0000406458 0000468355 0000335502 Sarcosine 000053753 000046435 000050343 0000479045 0000500544 0000382323 0000377638 0000449385 0000478297 0000459083 0000559917 0000532847 0000714183 0000616396 0000384247 0000502204 0000517387 0000703816 0000523671 0000688959 0000573192 0000653317 0000673945 0000654503 000071021 0000666278 000068495 0000592672 0000728644 Glycerophosphocholine 0029795517 001691158 0027472432 0032030457 0027156533 0039385369 0029427139 0028572479 0015505258 0063454015 Glycerol 3-phosphate 855108E-06 553142E-06 91948E-06 129536E-05 947648E-06 826973E-06 101789E-05 790282E-06 822941E-06 84603E-06 (2E,4E)-2,4-Hexadienoic acid 330274E-05 0000162038 443685E-05 446229E-05 349456E-05 298146E-05 259493E-05 223788E-05 551568E-05 167624E-05 Succinic acid 675302E-05 766894E-05 69902E-05 655489E-05 583916E-05 62647E-05 750836E-05 708942E-05 738139E-05 621247E-05 Taurine 0010629358 0010477507 0010822162 0011099164 0010708176 0010419415 0010194647 0010152718 0010602053 0010978338 Theobromine 000263257 0003165507 0002889113 0002664569 0003089475 0000909914 0000813396 0002709489 0002889263 0002790886 0002538254 0002883627 0002480807 0002646852 0000892597 0000752177 0002348666 0001640595 0002344103 0000246532 0000311831 0000236645 0000259093 0000281258 0000239514 0000282204 0000281634 0000289949 0000223146 Theophylline 0000246531 0000311821 0000236647 0000259093 0000281263 0000239526 0000282244 0000281634 0000289949 0000223143 Thymidine 0000468469 0000546014 0000531727 0000545369 0000653543 0000603898 0000492061 0000649944 0000633265 0000477697 0000456235 0000532995 0000340098 0000360231 000052737 0000449917 0000442833 000052544 0000523967 0000112434 600016E-05 821175E-05 0000123419 971292E-05 958064E-05 0000160788 0000112436 683498E-05 0000203242 Thymine 0000310243 0000479625 0000364117 0000443558 0000437392 0000353302 0000298995 0000500466 0000427284 0000421575 159542E-05 430241E-05 191507E-05 215561E-05 234793E-05 193472E-05 231636E-05 182038E-05 331631E-05 13073E-05 4-Hydroxy-L-proline 804012E-05 255462E-05 829072E-05 827058E-05 915663E-05 479036E-05 999319E-05 636645E-05 792358E-05 809371E-05 Cinnamaldehyde 0000115083 0000204975 0000160782 0000205671 0000193561 0000122521 0000135456 0000587372 0000205818 0000588954 trans-Cinnamic acid 214396E-05 316014E-05 272175E-05 186403E-05 187289E-05 183914E-05 180444E-05 226327E-05 568394E-05 135194E-05 Cyclohexane-1,2-diol 0000115785 0000206192 0000162484 0000151464 0000132383 0000125087 000011965 0000121092 0000167968 891497E-05 Trigonelline 0000829188 0001008794 0001201265 0000844657 0001183763 0018871623 0018719825 0004906012 0002663886 0001022326 0000906145 0000951836 0000953203 000089792 0018338117 0019916781 0003063223 0010862029 0002448471 0000360689 0000428711 0000403293 0000459368 0000486204 0000361024 0000362054 0000415122 0000495754 0000322027 Trimethylamine 0001470644 0001707525 0001808118 0001723533 0001597541 0002368135 0002332562 0001902632 0001793359 0001675107 0001905654 000180676 0001563803 0001633953 0002270651 0002071279 00017172 000167794 0001626464 335141E-05 256748E-05 300186E-05 332463E-05 31494E-05 347653E-05 349856E-05 361349E-05 278474E-05 421329E-05 Uracil 0012788094 0019461936 0015271685 0017567327 001879337 0012799602 0011331688 0019277546 0017620662 0016246995 0015121004 0017240648 0012743875 001490661 0012118461 000969667 0015484889 0010903967 0015291538 0002948269 0003706326 0003144898 0003392506 0002486245 000264166 0003458934 0003072282 0003848424 0002472856 Uridine 0001315933 0001974741 0001495518 000171207 000181692 0001244854 0001108615 0001898719 0001710095 0001551439 0001531367 0001808631 0001264451 000150221 0001256994 0000947767 0001526041 000108599 0001547925 Uridine diphosphate-N-acetylgalactosamine 180497E-05 122525E-05 207545E-05 251113E-05 128339E-05 0000188808 140138E-05 16881E-05 648112E-06 0000137159 Urocanic acid 0001101052 0001018744 0001451397 0001173445 0002838699 0002023375 0001806762 0002879683 0001834619 0001128343 0001259482 0000843086 000071758 0000549575 0001014099 0000631685 000106417 000057191 0001337162 0000306965 0000241558 0000371966 0000569456 0000593162 0000280005 000041858 0000708457 0000570517 0000587884 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB PubChem KEGG L(-)-Nicotine HMDB0001934 89594 C00745 1-Methyladenosine HMDB0003331 27476 C02494 Glyceryl monoacetate 5283468 3-Hydroxycapric acid HMDB0002203 26612 C02774 2-Aminophenol METPA0236 C01987 2-Hydroxypyridine HMDB0013751 8871 C02502 2-Methylglutaric acid HMDB0000422 12046 2,6-Dihydroxypyridine METPA0354 C03056 Cyclic AMP HMDB0000058 6076 C00575 3-Methylglutaric acid CA1192 3-Methyladenine HMDB0011600 1673 C00913 4-Acetamidobutanoic acid HMDB0003681 18189 C02946 Gamma-Aminobutyric acid HMDB0000112 119 C00334 Kynurenic acid HMDB0000715 3845 C01717 5'-Deoxyadenosine HMDB0001983 439182 C05198 5'-Methylthioadenosine HMDB0001173 439176 C00170 5-Aminolevulinic acid HMDB0001149 137 C00430 5-Hydroxyindoleacetic acid HMDB0000763 1826 C05635 Dihydrouracil HMDB0000076 649 C00429 Adenine HMDB0000034 190 C00147 Adenosine HMDB0000050 60961 C00212 Adipic acid HMDB0000448 196 C06104 Allantoin HMDB0000462 204 C01551 Alpha-D-Galactose-1-phosphate Alpha-Tocopherol HMDB0001893 14985 C02477 2-Aminobenzoic acid HMDB0001123 227 C00108 Azelaic acid HMDB0000784 2266 C08261 Beta-Alanine HMDB0000056 239 C00099 Betaine HMDB0000043 247 C00719 Biotin HMDB0000030 171548 C00120 Butanal HMDB0003543 261 C01412 Carnosine HMDB0000033 439224 C00386 Citramalic acid HMDB0000426 441696 C00815 Citrulline HMDB0000904 9750 C00327 Creatine HMDB0000064 586 C00300 Creatinine HMDB0000562 588 C00791 Cytidine 2,3- cyclic monophosphate C02354 Cytosine HMDB0000630 597 C00380 Pantothenic acid HMDB0000210 988 C00864 4-Trimethylammoniobutanoic acid HMDB0001161 134 C05543 Deoxycytidine HMDB0000014 13711 C00881 Dethiobiotin HMDB0003581 445027 C01909 Diacetyl HMDB0003407 650 C00741 Diethanolamine HMDB0004437 8113 C06772 4-Heptenal diethyl acetal HMDB0032306 97750 C04067 5-Hydroxylysine C01211 17a-Estradiol HMDB0000429 68570 C02537 Ethanolamine HMDB0000149 700 C00189 trans-Ferulic acid HMDB0000954 445858 C01494 Gamma-Linolenic acid HMDB0003073 5280933 C06426 Glycine HMDB0000123 750 C00037 Glycolaldehyde dimer C00266 Guanidoacetic acid HMDB0000128 763 C00581 Guanine HMDB0000132 764 C00242 Guanosine HMDB0000133 6802 C00387 Heptanoic acid HMDB0000666 8094 C17714 Caproic acid HMDB0000535 8892 C01585 Hippuric acid HMDB0000714 464 C01586 Homogentisic acid HMDB0000130 780 C00544 L-Homoserine HMDB0000719 12647 C00263 Hypoxanthine HMDB0000157 790 C00262 Indole HMDB0000738 798 C00463 Tryptophanol HMDB0003447 10685 C00955 Indolepyruvate HMDB0060484 803 C00331 Inosine HMDB0000195 6021 C00294 L-Allothreonine HMDB0004041 99289 C05519 L-Arginine HMDB0000517 6322 C00062 L-Asparagine HMDB0000168 6267 C00152 L-Carnitine HMDB0000062 2724480 C00318 L-Glutamic acid HMDB0000148 33032 C00025 L-Glutamine HMDB0000641 5961 C00064 L-Isoleucine HMDB0000172 6306 C00407 L-Lysine HMDB0000182 5962 C00047 L-Methionine HMDB0000696 6137 C00073 L-Phenylalanine HMDB0000159 6140 C00079 L-Proline HMDB0000162 145742 C00148 L-Serine HMDB0000187 5951 C00065 L-Threonine HMDB0000167 6288 C00188 L-Tryptophan HMDB0000929 6305 C00078 Tryptophanamide HMDB0013318 89366 C00977 L-Tyrosine HMDB0000158 6057 C00082 L-Valine HMDB0000883 6287 C00183 L-Leucine HMDB0000687 6106 C00123 Lipoamide HMDB0000962 863 C00248 Lumichrome METPA0216 5326566 C01727 D-Mannose HMDB0000169 18950 C00159 Melatonin HMDB0001389 896 C01598 Methyl jasmonate HMDB0036583 5367719 C11512 Methylguanidine HMDB0001522 10111 C02294 Mono methyl glutaric acid N-Methyltryptamine HMDB0004370 6088 C06213 N-Acetyl-D-glucosamine HMDB0000215 439174 C00140 N-Acetylmannosamine HMDB0001129 11096158 C00645 N-Acetyl-L-phenylalanine HMDB0000512 74839 C03519 N-Acetylneuraminate - 3568 C00270 N-Acetylputrescine HMDB0002064 122356 C02714 N-Acetylserotonin HMDB0001238 903 C00978 Dimethyl-1,4-Phenylenediamine C04203 N6-(delta2-Isopentenyl)-adenine METPA1684 92180 C04083 N,N,N-Trumethyllysine C03793 Niacinamide HMDB0001406 936 C00153 L-Norleucine HMDB0001645 21236 C01933 L-Acetylcarnitine HMDB0000201 1 C02571 Paraxanthine HMDB0001860 4687 C13747 Pipecolic acid HMDB0000070 849 C00408 Propanal HMDB0003366 527 C00479 Pterin HMDB0000802 73000 C00715 Pyrrole-2-carboxylic acid HMDB0004230 12473 C05942 2,3-Dihydroxypropyl tetradecanoate 79050 CA1370 Riboflavin HMDB0000244 493570 C00255 Salicylamide HMDB0015687 5147 CA1193 Salicylate C00805 Sarcosine HMDB0000271 1088 C00213 Glycerophosphocholine HMDB0000086 71920 C00670 Glycerol 3-phosphate HMDB0000126 439162 C00093 (2E,4E)-2,4-Hexadienoic acid HMDB0029581 643460 CA1411 Succinic acid HMDB0000254 1110 C00042 Taurine HMDB0000251 1123 C00245 Theobromine HMDB0002825 5429 C07480 Theophylline HMDB0001889 2153 C07130 Thymidine HMDB0000273 5789 C00214 Thymine HMDB0000262 1135 C00178 4-Hydroxy-L-proline HMDB0006055 69248 C01015 Cinnamaldehyde HMDB0003441 637511 C00903 trans-Cinnamic acid HMDB0000930 444539 C00423 Cyclohexane-1,2-diol C03739 Trigonelline HMDB0000875 5570 C01004 Trimethylamine HMDB0000906 1146 C00565 Uracil HMDB0000300 1174 C00106 Uridine HMDB0000296 6029 C00299 Uridine diphosphate-N-acetylgalactosamine HMDB0000304 1167 C00203 Urocanic acid HMDB0000301 736715 C00785 METABOLITES_END #END