#METABOLOMICS WORKBENCH araskind_20140322_9618021_mwtab.txt DATATRACK_ID:86 STUDY_ID:ST000044 ANALYSIS_ID:AN000068 PROJECT_ID:PR000043 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Pancreas Cancer Studies PR:PROJECT_TYPE MS study PR:PROJECT_SUMMARY Studies with Pancreatic cancer tissues PR:INSTITUTE University of Michigan PR:DEPARTMENT UMich Internal Medicine PR:LABORATORY Burant Lab PR:LAST_NAME Beecher PR:FIRST_NAME Chris PR:ADDRESS - PR:EMAIL chrisbee@med.umich.edu PR:PHONE 734-232-0815 #STUDY ST:STUDY_TITLE Simeone Pancreatic Cancer Cells ST:STUDY_TYPE Pilot experiment looking for the existence of certain molecules in pancreatic ST:STUDY_TYPE cells ST:STUDY_SUMMARY Pilot experiment looking for the existence of certain molecules in pancreatic ST:STUDY_SUMMARY cells ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@umich.edu ST:PHONE - ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 6 #SUBJECT SU:SUBJECT_TYPE HUMAN SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - S00010702 Pancreas tissue type:Normal area of the pancreas with tumor SUBJECT_SAMPLE_FACTORS - S00010704 Pancreas tissue type:Normal area of the pancreas with tumor SUBJECT_SAMPLE_FACTORS - S00010705 Pancreas tissue type:Normal pancreas SUBJECT_SAMPLE_FACTORS - S00010706 Pancreas tissue type:Normal pancreas SUBJECT_SAMPLE_FACTORS - S00010701 Pancreas tissue type:Pancreas tumor SUBJECT_SAMPLE_FACTORS - S00010703 Pancreas tissue type:Pancreas tumor #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Tissues #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME EX00189-Sample_preparation_protocol.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1200 CH:COLUMN_NAME Waters Acquity HSS T3 CH:METHODS_ID AQM003:AQM004 CH:METHODS_FILENAME Column1_jetstream_grad9.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ANALYSIS_PROTOCOL_FILE EX00189-Data analysis protocol.pdf AN:ACQUISITION_PARAMETERS_FILE Column1_solv1_jetstream_pos_grad9.m.zip AN:PROCESSING_PARAMETERS_FILE LCPosDataProcessing.m #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Counts MS_METABOLITE_DATA_START Samples S00010702 S00010704 S00010705 S00010706 S00010701 S00010703 Factors Pancreas tissue type:Normal area of the pancreas with tumor Pancreas tissue type:Normal area of the pancreas with tumor Pancreas tissue type:Normal pancreas Pancreas tissue type:Normal pancreas Pancreas tissue type:Pancreas tumor Pancreas tissue type:Pancreas tumor 10-HYDROXYDECANOATE 193261.0000 917419.0000 340598.0000 165381.0000 232844.0000 10-HYDROXYDECANOATE_1 244753.0000 328254.0000 154158.0000 10-HYDROXYDECANOATE_2 106646.0000 10-HYDROXYDECANOATE_3 329871.0000 782820.0000 255480.0000 116355.0000 956774.0000 108375.0000 11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE 3774646.0000 11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE_1 902381.0000 1120653.0000 1211367.0000 186440.0000 11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE_2 191111.0000 11-DEHYDROCORTICOSTERONE (*) 16594.0000 68739.0000 1_2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 26956.0000 1_2-DIPALMITOYL-SN-GLYCEROL 49690.0000 12-HYDROXY-DODECANOIC ACID 2086754.0000 1956673.0000 1832789.0000 1892665.0000 2066702.0000 12-HYDROXY-DODECANOIC ACID_1 2011032.0000 1935675.0000 1866229.0000 919137.0000 1794824.0000 2024342.0000 [13C]-ARGININE 3218945.0000 2697212.0000 134368.0000 65802.0000 2272094.0000 1120075.0000 [13C]-ASPARTIC ACID 1000962.0000 951982.0000 273878.0000 175367.0000 799886.0000 1228594.0000 [13C]-ASPARTIC ACID_1 1000962.0000 951982.0000 273878.0000 175367.0000 799886.0000 1228594.0000 [13C]-GLUTAMATE 1948905.0000 1935942.0000 32969.0000 1528971.0000 682738.0000 [13C]-HISTIDINE 70022.0000 37308.0000 [13C]-ISOLEUCINE 271710303.0000 177762813.0000 26447122.0000 219116955.0000 217007384.0000 [13C]-LEUCINE 270448855.0000 176733991.0000 25884059.0000 25327666.0000 217453321.0000 216066939.0000 [13C]-LYSINE 874847.0000 818991.0000 139341.0000 643999.0000 396250.0000 [13C]-METHIONINE 29906631.0000 18537723.0000 3069856.0000 23755873.0000 16659229.0000 [13C]-METHIONINE_1 21192.0000 [13C]-PHENYLALANINE 179874562.0000 108488510.0000 21694272.0000 17252268.0000 145131849.0000 143957606.0000 [13C]-PROLINE 8232975.0000 6676810.0000 432715.0000 161133.0000 6640901.0000 3960694.0000 [13C]-THREONINE 754044.0000 786140.0000 21145.0000 603484.0000 278561.0000 [13C]-TYROSINE 42338662.0000 28424392.0000 2932298.0000 1754547.0000 34233065.0000 29257506.0000 [13C]-VALINE 52761564.0000 37087753.0000 4299515.0000 2314621.0000 41556117.0000 33424171.0000 1-METHYLADENOSINE 308757.0000 19563.0000 1-METHYLNICOTINAMIDE 486116.0000 567886.0000 197931.0000 188844.0000 653566.0000 673152.0000 1-NAPHTHYLAMINE 85133.0000 1-OLEOYL-RAC-GLYCEROL 17161695.0000 26072918.0000 137396708.0000 19404952.0000 4525684.0000 1295599.0000 2`_4`-DIHYDROXYACETOPHENONE 473770.0000 287673.0000 331739.0000 293461.0000 25-HYDROXYCHOLESTEROL 25708.0000 2_6-DIHYDROXYPYRIDINE 91113.0000 58384.0000 106455.0000 2-AMINO-2-DEOXYHEXOPYRANOSE 42909.0000 51717.0000 16233.0000 63157.0000 2-AMINO-2-DEOXYHEXOPYRANOSE_1 54689.0000 2-AMINOPHENOL 129724.0000 2`-DEOXYADENOSINE 66330.0000 2`-DEOXYADENOSINE_1 61384.0000 49871.0000 35910.0000 239915.0000 707889.0000 2`-DEOXYADENOSINE 5`-MONOPHOSPHATE 66706.0000 2`-DEOXYCYTIDINE 442047.0000 403008.0000 8430762.0000 7735050.0000 752634.0000 701059.0000 2`-DEOXYCYTIDINE_1 58567.0000 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE 110635.0000 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE_1 10741.0000 2-DEOXY-D-GLUCOSE 97683.0000 115764.0000 96328.0000 64805.0000 256023.0000 416531.0000 2-DEOXY-GLUCOSE / 6-DEOXY-GALACTOSE 112579.0000 64029.0000 2`-DEOXYGUANOSINE 3612734.0000 1424059.0000 12183291.0000 11564057.0000 2783706.0000 4861603.0000 2`-DEOXYGUANOSINE 5`-DIPHOSPHATE 12819.0000 69564.0000 63926.0000 2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE 238683.0000 110120.0000 13671210.0000 7758674.0000 2441631.0000 658798.0000 2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE_1 164947.0000 2-HYDROXYBUTYRIC ACID 25807.0000 18913.0000 2-HYDROXYBUTYRIC ACID_1 161594.0000 175612.0000 182835.0000 146464.0000 2-HYDROXYBUTYRIC ACID_2 25539.0000 2-HYDROXYBUTYRIC ACID_3 25817.0000 18904.0000 2-HYDROXYBUTYRIC ACID_4 1275710.0000 116094.0000 1048244.0000 212924.0000 2-HYDROXYPHENYLACETIC ACID 482325.0000 287416.0000 287536.0000 295964.0000 2-METHYLGLUTARIC ACID 291571.0000 157189.0000 481100.0000 162540.0000 2-METHYLMALEATE 44974.0000 30581.0000 2-OXOADIPATE 66053.0000 122563.0000 2-QUINOLINECARBOXYLIC ACID 59433.0000 113884.0000 3-(2-HYDROXYPHENYL)PROPANOATE 31359.0000 29330.0000 92048.0000 3_3`_5-TRIIODO-L-THYRONINE 20450.0000 3_3`_5-TRIIODO-L-THYRONINE_1 23651.0000 3_3`-DITHIODIVALINE 48771.0000 3_4-DIHYDROXYBENZOATE 36680.0000 3_4-DIHYDROXYBENZOATE_1 267753.0000 171077.0000 140292.0000 199048.0000 3_4-DIHYDROXY-L-PHENYLALANINE 38477.0000 49503.0000 104632.0000 3_4-DIHYDROXY-L-PHENYLALANINE_1 50442.0000 61612.0000 3_4-DIHYDROXYMANDELIC ACID 339068.0000 3_4-DIHYDROXYPHENYLACETATE 27001.0000 3-(4-HYDROXYPHENYL)LACTATE 37877.0000 255457.0000 3_5-DIIODO-L-THYRONINE 31852.0000 26831.0000 3ALPHA-HYDROXY-5BETA-CHOLANATE 58706.0000 157142.0000 556626.0000 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE 105673.0000 96914.0000 3`-CMP 749351.0000 631240.0000 8554815.0000 7520659.0000 1744463.0000 1715561.0000 3`-CMP_1 71776.0000 1824089.0000 31738.0000 25971.0000 3-(CYSTEIN-S-YL)ACETAMINOPHEN (*) 101525.0000 3-DEHYDROSHIKIMATE 44404.0000 3-HYDROXY-3-METHYLGLUTARATE 39063.0000 3-HYDROXY-DL-KYNURENINE 22025.0000 3-HYDROXY-DL-KYNURENINE_1 25975.0000 65688.0000 109828.0000 137391.0000 3-METHOXY-L-TYROSINE 18655.0000 102965.0000 102965.0000 3-METHYLADENINE 22133.0000 3-METHYLHISTAMINE 74002.0000 62184.0000 755339.0000 558047.0000 174155.0000 346542.0000 3-NITRO-L-TYROSINE 15431.0000 3-UREIDOPROPIONIC ACID 844854.0000 172782.0000 238575.0000 1252494.0000 1820315.0000 3-UREIDOPROPIONIC ACID_1 134968.0000 4-ACETAMIDOBUTANOATE 92046.0000 48251.0000 119704.0000 422271.0000 4-ACETAMIDOBUTANOATE_1 36665.0000 25643.0000 43621.0000 48566.0000 88546.0000 4-ACETAMIDOBUTANOATE_2 43742.0000 41354.0000 77798.0000 235514.0000 4-AMINOBENZOYLGLUTAMIC ACID 23506.0000 4-AMINOBUTANOATE 70191.0000 4-COUMARATE 39337.0000 4-GUANIDINOBUTANOIC ACID 58316.0000 31479.0000 38569.0000 4-HYDROXY-3-METHOXY-BENZENEMETHANOL 75764.0000 67536.0000 4-HYDROXY-3-METHOXYMANDELIC 57435.0000 4-HYDROXY-3-METHOXYMANDELIC ACID 24558.0000 64204.0000 4-HYDROXY-3-METHOXYPHENYLGLYCOL 20575.0000 4-HYDROXY-3-METHOXYPHENYLGLYCOL_1 23216.0000 4-HYDROXYBENZALDEHYDE 20475.0000 28485.0000 4-IMIDAZOLEACETIC ACID 16354.0000 4-METHYL-2-OXOPENTANOATE 394702.0000 257945.0000 4-METHYLCATECHOL 128927.0000 40853.0000 4-QUINOLINECARBOXYLIC ACID 276761.0000 370446.0000 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATE 62806.0000 5-Aminoimidazole ribotide (*) 797973.0000 2506129.0000 45264434.0000 36379120.0000 8954007.0000 702646.0000 5-AMINOLEVULINIC ACID 770007.0000 5`-DEOXYADENOSINE 190579.0000 4511020.0000 339293.0000 663575.0000 5`-DEOXYADENOSINE_1 53191.0000 5`-DEOXYADENOSINE_2 58930.0000 244184.0000 715435.0000 5-HYDROXY-L-TRYPTOPHAN 134730.0000 2533458.0000 2819666.0000 211273.0000 489987.0000 5-HYDROXY-L-TRYPTOPHAN_1 15901.0000 61992.0000 5-HYDROXY-L-TRYPTOPHAN_2 37170.0000 5-HYDROXYMETHYLURACIL 12455.0000 30680.0000 5-HYDROXYPENTANOIC ACID 84975.0000 81774.0000 90984.0000 5-HYDROXYPENTANOIC ACID_1 254344.0000 156325.0000 205610.0000 222526.0000 5-HYDROXYPENTANOIC ACID_2 85226.0000 81902.0000 88248.0000 5`-METHYLTHIOADENOSINE 90260.0000 93948.0000 1199499.0000 1214416.0000 1258168.0000 1867185.0000 5`-METHYLTHIOADENOSINE_1 21640.0000 396168.0000 188683.0000 5-OXO-PROLINE 73344.0000 75011.0000 5-VALEROLACTONE 21538.0000 6_7-DIHYDROBIOPTERIN 993614.0000 997757.0000 33852.0000 59273.0000 6-HYDROXYDOPAMINE 36738.0000 61793.0000 6-HYDROXYNICOTINATE 24136.0000 45828.0000 26711.0000 50336.0000 33346.0000 6-PHOSPHOGLUCONIC ACID 63311.0000 ACETYLCHOLINE 953351.0000 2161628.0000 9125644.0000 4376497.0000 2525196.0000 2958145.0000 ADENINE 133389.0000 93409.0000 945010.0000 1516092.0000 163663.0000 382155.0000 ADENOSINE 188624.0000 108956.0000 129984.0000 214031.0000 172363.0000 87510.0000 ADENOSINE_1 3959009.0000 1155129.0000 64818374.0000 111411241.0000 6804062.0000 20819357.0000 ADENOSINE_2 3959009.0000 1155129.0000 64818374.0000 111411241.0000 6804062.0000 20819357.0000 ADENOSINE_3 194194.0000 108962.0000 129978.0000 214039.0000 174074.0000 87504.0000 ADENOSINE 2`_3`-CYCLIC MONOPHOSPHATE 266178.0000 ADENOSINE 3`_5`-CYCLIC MONOPHOSPHATE 39528.0000 121479.0000 168772.0000 67944.0000 78661.0000 ADENOSINE 5`-MONOPHOSPHATE 329594.0000 879110.0000 50702475.0000 57986766.0000 1424554.0000 1778740.0000 ADENOSINE 5`-MONOPHOSPHATE (*) 64558.0000 843697.0000 1143652.0000 103176.0000 178100.0000 ADENOSINE 5`-MONOPHOSPHATE (*)_1 33064.0000 ADENOSINE DIPHOSPHATE 25409.0000 71403.0000 257395.0000 389672.0000 ALANINE 694401.0000 420563.0000 4912797.0000 2976458.0000 535470.0000 1371652.0000 ALLANTOIN 15151.0000 16987.0000 ALPHA-KETO-GLUTARATE 23989.0000 50128.0000 ALPHA-KETO-GLUTARATE_1 103925.0000 98613.0000 ALPHA-LIPOAMIDE 50034.0000 51526.0000 56674.0000 ALPHA-TOCOPHEROL 883964.0000 57554.0000 76500.0000 1383204.0000 314742.0000 AMINOHYDROXYBENZOIC ACID 242058.0000 41642.0000 AMINOHYDROXYBUTANOIC ACID 324716.0000 234448.0000 44934.0000 514638.0000 332278.0000 AMINOHYDROXYBUTANOIC ACID_1 32202.0000 90287.0000 66465.0000 AMINOHYDROXYBUTANOIC ACID_2 182318.0000 42502.0000 367851.0000 ANANDAMIDE 181193.0000 ANTHRANILATE 42149.0000 123420.0000 61633.0000 105165.0000 ARG-VAL-TRP 2081312.0000 1133331.0000 388734.0000 313762.0000 2026061.0000 1822003.0000 ASCORBATE 138704.0000 363810.0000 160392.0000 81879.0000 ASCORBATE_1 432549.0000 53524.0000 ASCORBATE (-H) 34011.0000 127495.0000 96970.0000 ASPARAGINE 43238.0000 38884.0000 34623.0000 56364.0000 34156.0000 ASPARAGINE_1 175718.0000 106277.0000 290698.0000 143044.0000 ASPARTATE 340297.0000 319591.0000 211390.0000 ASPARTATE_1 19409.0000 27393.0000 AZELAIC ACID 52388.0000 AZELAIC ACID_1 663418.0000 AZELAIC ACID_2 104142.0000 72662.0000 73020.0000 AZELAIC ACID_3 2544425.0000 1627447.0000 985547.0000 640500.0000 12749524.0000 1052602.0000 B-ALANYL-N(PAI)-METHYL-L-HISTIDINE 17734.0000 47458.0000 BENZENEDICARBOXYLIC ACID 10494.0000 BETAINE 28916.0000 74811.0000 46158.0000 BILIVERDIN 34431.0000 92606.0000 68442.0000 131949.0000 BILIVERDIN_1 101202.0000 277708.0000 141657.0000 262458.0000 BIOPTERIN 121671.0000 195435.0000 15750.0000 43444.0000 BIOTIN 28398.0000 64298.0000 BIS(2-ETHYLHEXYL)PHTHALATE 5939368.0000 4504881.0000 8460058.0000 1431044.0000 7239941.0000 6265223.0000 BIS(2-ETHYLHEXYL)PHTHALATE_1 534133.0000 265475.0000 240504.0000 BIS(2-ETHYLHEXYL)PHTHALATE_2 517500.0000 266956.0000 240620.0000 BIS(2-ETHYLHEXYL)PHTHALATE_3 920052.0000 932622.0000 1362956.0000 252709.0000 1156226.0000 867032.0000 BIS(2-ETHYLHEXYL)PHTHALATE_4 151574.0000 88932.0000 189679.0000 203522.0000 BIS(2-ETHYLHEXYL)PHTHALATE_5 5619191.0000 4409533.0000 8081271.0000 1372169.0000 7106343.0000 6162541.0000 BISPHOSPHOGLYCERATE 18594.0000 BOC-ALA-OH 57473285.0000 30851195.0000 4514897.0000 49154391.0000 36850417.0000 BOC-ALA-OH_1 4855508.0000 3095779.0000 4149808.0000 2018431.0000 BOC-ASN 39037031.0000 20800961.0000 31740167.0000 35463279.0000 BOC-ASN_1 39036905.0000 20801044.0000 31739121.0000 35463523.0000 BOC-ASN_2 3295741.0000 2593393.0000 2976334.0000 2424129.0000 BOC-ASP-OH 142955.0000 BOC-ASP-OH_1 26670.0000 BOC-ASP-OH_2 3675284.0000 1899308.0000 2968193.0000 2868233.0000 BOC-ASP-OH_3 368012.0000 277308.0000 215394.0000 BOC-GLY-OH 96656.0000 BOC-HIS-OH 21987.0000 33398.0000 BOC-HIS-OH_1 32500.0000 56224.0000 BOC-HIS-OH_2 26290.0000 BOC-PHE-OH 39044383.0000 20884000.0000 20354223.0000 6566842.0000 31002862.0000 33466279.0000 BOC-PRO-OH 76350.0000 BOC-SER-OH 160990.0000 189177.0000 205788.0000 223824.0000 72625.0000 477330.0000 BRADYKININ (*) 736245.0000 BRADYKININ (*)_1 98348.0000 197306.0000 BRADYKININ (*)_2 99147.0000 121195.0000 214797.0000 BRADYKININ DES-ARG(9) (*) 97017.0000 516551.0000 BRADYKININ DES-ARG(9) (*)_1 67283.0000 BRADYKININ DES-ARG(9) (*)_2 23465.0000 33430.0000 BRADYKININ DES-ARG(9) (*)_3 71207.0000 92735.0000 233015.0000 BRADYKININ HYDROXY-PRO(3) (*) 947370.0000 1613387.0000 140752.0000 BRADYKININ HYDROXY-PRO(3) (*)_1 30743.0000 BRADYKININ HYDROXY-PRO(3) (*)_2 386936.0000 763200.0000 CADAVERINE 87184.0000 43900.0000 115966.0000 CADAVERINE_1 22247.0000 CALCITRIOL (*) 24165.0000 CAPECITABINE 93303.0000 18116.0000 64879.0000 CAPECITABINE_1 50754.0000 CARNITINE 5734650.0000 8058078.0000 19037001.0000 14331031.0000 9811496.0000 11644969.0000 CARNOSINE 99788.0000 49062.0000 CERAMIDE PHOSPHOCHOLINE (*) 57742.0000 CERAMIDE PHOSPHOCHOLINE (*)_1 121180.0000 1485312.0000 CERAMIDE PHOSPHOCHOLINE (*)_2 326596.0000 286807.0000 1734087.0000 9897798.0000 CERAMIDE PHOSPHOCHOLINE (*)_3 147225.0000 CERAMIDE PHOSPHOCHOLINE (*)_4 2666916.0000 1689245.0000 33013329.0000 95296090.0000 7248089.0000 5249533.0000 CHOLESTA-5_7-DIEN-3BETA-OL 17982.0000 CHOLESTA-5_7-DIEN-3BETA-OL_1 18537.0000 CHOLESTA-5_7-DIEN-3BETA-OL_2 35125.0000 CHOLESTEROL 139039.0000 243688.0000 37372.0000 88431.0000 107099.0000 128924.0000 CHOLESTEROL (-H20) 105188.0000 85002.0000 203032.0000 83751.0000 197894.0000 206258.0000 CHOLIC ACID 216973.0000 CHOLINE 1382011.0000 1600398.0000 10987745.0000 16907319.0000 3519318.0000 3672946.0000 CINNAMOYLGLYCINE (*) 1626833.0000 1026715.0000 1434127.0000 1282094.0000 CITRAMALATE 56239.0000 57692.0000 29568.0000 100534.0000 CITRAMALATE_1 17746.0000 CITRATE 235356.0000 158424.0000 77876.0000 138852.0000 CITRATE_1 61030.0000 618217.0000 CITRATE_2 52885.0000 24396.0000 22346.0000 CITRULLINE 213281.0000 141895.0000 CITRULLINE_1 76180.0000 123194.0000 109694.0000 22788.0000 COENZYME A 5955558.0000 4010460.0000 5027660.0000 5796542.0000 CORTICOSTERONE 111627.0000 152874.0000 403054.0000 486405.0000 CORTICOSTERONE_1 377122.0000 113378.0000 440125.0000 236813.0000 642281.0000 CORTISOL 521044.0000 CORTISOL_1 175630.0000 CORTISOL_2 763217.0000 624819.0000 286986.0000 808431.0000 521482.0000 CORTISOL 21-ACETATE 131650.0000 892658.0000 CORTISOL 21-ACETATE_1 197979.0000 55149.0000 CORTISONE 792715.0000 869176.0000 805680.0000 CORTISONE_1 148292.0000 33935.0000 COTININE (*) 27230.0000 CREATINE 21536067.0000 12136451.0000 136313155.0000 88809220.0000 14453763.0000 34943311.0000 CREATININE 26052.0000 CREATININE_1 852158.0000 1219474.0000 2441062.0000 4060586.0000 791055.0000 1002898.0000 CREATININE FROM COMPLEX 26952.0000 230736.0000 26018.0000 CYCLOHEXANE-1_3-DIONE 25423.0000 CYCLOHEXANE-1_3-DIONE_1 43847.0000 31008.0000 50038.0000 97869.0000 CYSTEIC ACID 71221.0000 95057.0000 CYSTEINE 59108.0000 16825.0000 CYSTINE 114580.0000 38351.0000 67439.0000 46137.0000 42692.0000 CYSTINE_1 76407.0000 58956.0000 105577.0000 CYTIDINE 119443.0000 124814.0000 6184094.0000 5733869.0000 115550.0000 211455.0000 CYTIDINE_1 4225008.0000 4226259.0000 CYTIDINE 2`_3`-CYCLIC MONOPHOSPHATE (CCMP) 21265.0000 74164.0000 CYTIDINE 2`_3`-CYCLIC MONOPHOSPHATE (CCMP)_1 328711.0000 283183.0000 55723.0000 CYTIDINE 5`-DIPHOSPHATE 26919.0000 51116.0000 29192.0000 20410.0000 CYTIDINE 5`-DIPHOSPHOCHOLINE 52338.0000 496027.0000 202889.0000 674067.0000 496150.0000 CYTIDINE 5`-MONOPHOSPHATE 749460.0000 631350.0000 8577223.0000 7557690.0000 1745296.0000 1715480.0000 CYTOSINE 21008.0000 CYTOSINE_1 150570.0000 136353.0000 DEHYDROASCORBATE 33523.0000 124031.0000 95024.0000 DEOXYCARNITINE 30086.0000 DEOXYCHOLATE 12035401.0000 7551805.0000 DEOXYCHOLATE_1 277646.0000 532647.0000 367472.0000 DEOXYCORTICOSTERONE 73394.0000 301608.0000 DEOXYCORTICOSTERONE_1 313850.0000 203197.0000 264072.0000 DEOXYCORTICOSTERONE_2 48652.0000 DEOXYRIBOSE 137697.0000 103380.0000 75754.0000 DEOXYURIDINE 131520.0000 350910.0000 28061.0000 35338.0000 DEOXYURIDINE_1 40821.0000 DESMOSTEROL 51269.0000 37411.0000 95040.0000 59520.0000 DETHIOBIOTIN 311857.0000 DETHIOBIOTIN_1 2714872.0000 2542029.0000 D-GLUCONO-1_5-LACTONE 26351.0000 DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY) 89878.0000 132658.0000 DIACYLGLYCEROPHOSPHOGLYCEROL (POSSIBLY) 987293.0000 DIACYL-PHOSPHATIDYLCHOLINE 2025062.0000 2363275.0000 DIETHANOLAMINE 38020.0000 DIETHYL AMINOMALONATE 23511.0000 18519.0000 38444.0000 75133.0000 30613.0000 18571.0000 DIHEXOSE 1902831.0000 148361.0000 560389.0000 312649.0000 DIHYDROOROTATE 25565.0000 23286.0000 79638.0000 DIHYDROOROTATE_1 32827.0000 23231.0000 79707.0000 DIHYDROXYACETONE PHOSPHATE 37993.0000 DIHYDROXYBENZOIC ACID 40188.0000 21769.0000 DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY) 2181152.0000 3319423.0000 1359131.0000 787757.0000 269148.0000 1289435.0000 DIMETHYLARGININE (*) 26240.0000 DIMETHYLARGININE (*)_1 1140273.0000 1091797.0000 2848217.0000 3658998.0000 1873217.0000 2104377.0000 DIMETHYLBENZIMIDAZOLE 15355.0000 DIMETHYL MALEATE 14203.0000 DIMETHYL MALEATE_1 10486.0000 44647.0000 DIMETHYLXANTHINE 390273.0000 371480.0000 192896.0000 DIMETHYLXANTHINE_1 366276.0000 834129.0000 226875.0000 270654.0000 DIOLEOYLPHOSPHATIDYLCHOLINE 83251366.0000 17822405.0000 17204565.0000 443250.0000 70857455.0000 DIPALMITOYLGLYCEROL (*) 26129334.0000 71193413.0000 4964373.0000 596747.0000 3337134.0000 17695136.0000 DI-TERT-BUTYL DICARBONATE 36746.0000 33056.0000 17430.0000 DOCOSAHEXAENOIC ACID 266825.0000 375680.0000 142954.0000 DOCOSAHEXAENOIC ACID_1 66689.0000 72288.0000 176368.0000 82742.0000 DOCOSAHEXAENOIC ACID_2 134993.0000 DOCOSAHEXAENOIC ACID_3 273519.0000 DOCOSAHEXAENOIC ACID_4 69833.0000 72265.0000 162290.0000 108361.0000 DOPAMINE 103463.0000 DOPAMINE_1 104639.0000 EDTA 30456.0000 38821.0000 153338.0000 EDTA (*) 46230.0000 36792.0000 198960.0000 EDTA (*)_1 46230.0000 36792.0000 197050.0000 ENKEPHALINE_ (D-ALA)2-LEU 268041.0000 319110.0000 278169.0000 EPINEPHRINE 72434.0000 ERYTHRITOL 291909.0000 62861.0000 ESTRADIOL 17 ALPHA 306066.0000 254904.0000 ESTRIOL (*) 85832.0000 140587.0000 ESTRIOL (*)_1 8405671.0000 4299490.0000 2907625.0000 6818026.0000 2150329.0000 ESTRONE 584939.0000 514616.0000 57546.0000 683180.0000 ETHYL 3-INDOLE ACETATE 15760.0000 25749.0000 19492.0000 28121.0000 ETHYL 4-OXOCYCLOHEXANECARBOXYLATE 763147.0000 682539.0000 586664.0000 ETHYLMALONIC ACID 265506.0000 171077.0000 140292.0000 195955.0000 FERULATE 407488.0000 243968.0000 333157.0000 259411.0000 FERULATE_1 33907.0000 FLAVIN ADENINE DINUCLEOTIDE 52142.0000 176573.0000 134176.0000 FORMYL-L-METHIONINE 65796.0000 68665.0000 48224.0000 FRUCTOSE 1_6-BIPHOSPHATE 45027.0000 15530.0000 56830.0000 48573.0000 GAMMA-BUTYROLACTONE 42702.0000 38576.0000 GDP-GLUCOSE 34618.0000 28270.0000 GLUCARIC/GULARIC/SACCHARIC ACID 202154.0000 299417.0000 131263.0000 GLUCOSAMINE 6-PHOSPHATE 132978.0000 133160.0000 98338.0000 164564.0000 GLUCOSAMINE 6-SULFATE 39258.0000 20514.0000 GLUCOSE-6-PHOSPHATE 46945.0000 59791.0000 34425.0000 61680.0000 384258.0000 155426.0000 GLUCOSE-6-PHOSPHATE_1 41275.0000 19454.0000 GLUTAMINE 1244291.0000 759067.0000 196459.0000 125724.0000 1205293.0000 828777.0000 GLUTAMINE_1 2260733.0000 1417000.0000 1115073.0000 2047065.0000 GLUTAMINE_2 557329.0000 299042.0000 846520.0000 767744.0000 88675.0000 716181.0000 GLUTARATE 67415.0000 76649.0000 40764.0000 GLUTARATE_1 49662.0000 23431.0000 41872.0000 GLUTARATE_2 85672.0000 43458.0000 51545.0000 GLUTARATE_3 67415.0000 75427.0000 40764.0000 GLUTATHIONE 63683586.0000 20698130.0000 77585.0000 89332909.0000 179427820.0000 GLUTATHIONE_1 438899.0000 132071.0000 74705.0000 59338.0000 2556773.0000 1216745.0000 GLUTATHIONE OXIDIZED 12661157.0000 2046236.0000 23587917.0000 73459535.0000 GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL 40537.0000 GLYCERIC ACID 30811.0000 48679.0000 26720.0000 GLYCEROL PHOSPHATE 836112.0000 355263.0000 390551.0000 GLYCEROL PHOSPHATE_1 21050.0000 GLYCEROPHOSPHOCHOLINE (*) 33426.0000 183369.0000 GLYCINE 49543.0000 287593.0000 147548.0000 GLYCOCHOLATE 118044.0000 GLYCOCHOLATE_1 325243.0000 599024.0000 691007.0000 357608.0000 2981276.0000 GLYCOCHOLATE_2 524664.0000 1158777.0000 1158136.0000 708700.0000 611100.0000 4054513.0000 GLYCOCHOLATE_3 394372.0000 476415.0000 325674.0000 296425.0000 229759.0000 1442356.0000 GLYCOLITHOCHOLIC ACID ETHYL ESTER 20356.0000 15704.0000 GLYCOLITHOCHOLIC ACID ETHYL ESTER_1 102935.0000 GLYCOLITHOCHOLIC ACID ETHYL ESTER_2 91713.0000 GTP 36151.0000 GUANINE 1683115.0000 1856684.0000 1785266.0000 2225517.0000 GUANOSINE 7475471.0000 2908985.0000 26026838.0000 24184178.0000 6176689.0000 11904830.0000 GUANOSINE_1 32646.0000 GUANOSINE 3`_5`-CYCLIC MONOPHOSPHATE 175585.0000 14216.0000 29129.0000 GUANOSINE 5`-DIPHOSPHATE 26015.0000 GUANOSINE 5` MONOPHOSPHATE 6221695.0000 6703283.0000 GUANOSINE 5` MONOPHOSPHATE_1 633784.0000 776280.0000 GULONO-1_4-LACTONE 19611.0000 HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*) 1614439.0000 11949939.0000 HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)_1 80333.0000 30861.0000 HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)_2 164995.0000 22900.0000 4674604.0000 4210638.0000 46081.0000 48602.0000 HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)_3 4942755.0000 HEXITOL 1607995.0000 926816.0000 399528.0000 HEXOSE 27263255.0000 22474292.0000 1075897.0000 1121593.0000 3631062.0000 5322542.0000 HEXOSE (M+K) 9219712.0000 6840441.0000 4068203.0000 4803513.0000 3029080.0000 4163752.0000 HIPPURATE 91655.0000 535696.0000 62298.0000 1026893.0000 HIPPURATE_1 102907.0000 535605.0000 62313.0000 1034469.0000 HIPPURATE_2 190202.0000 779706.0000 127981.0000 1635388.0000 HISTAMINE 1046689.0000 1279882.0000 688284.0000 702804.0000 367444.0000 829925.0000 HISTIDINE 276426.0000 2314418.0000 15911031.0000 64679083.0000 597269.0000 507141.0000 HISTIDINOL 23636.0000 HOMOCYSTEINE 428274.0000 455121.0000 387681.0000 281743.0000 646974.0000 HOMOCYSTINE 45179.0000 HOMOGENTISATE 25149.0000 HOMOSERINE 26517.0000 HOMOVANILLATE 321708.0000 103251.0000 986324.0000 183717.0000 HOMOVANILLATE_1 39103.0000 82433.0000 79089.0000 HOMOVANILLATE_2 37883.0000 HYDROXYBENZALDEHYDE 22896.0000 28760.0000 HYPOXANTHINE 2769568.0000 1549704.0000 25352040.0000 21069364.0000 7758086.0000 13779640.0000 HYPOXANTHINE_1 2765710.0000 1551970.0000 25352034.0000 21063104.0000 7758052.0000 13786542.0000 HYPOXANTHINE_2 5143363.0000 3843786.0000 2162621.0000 2677743.0000 5913193.0000 6493111.0000 HYPOXANTHINE_3 60250214.0000 44354112.0000 229084363.0000 188779920.0000 118026627.0000 164257228.0000 HYPOXANTHINE_4 2595671.0000 1965164.0000 20240090.0000 31549626.0000 5889142.0000 6547972.0000 HYPOXANTHINE_5 6716413.0000 5208234.0000 4241295.0000 4938574.0000 7915822.0000 11607809.0000 INDOLE-3-ACETAMIDE 92808.0000 54381.0000 INDOLE-3-ACETIC ACID 73581.0000 99807.0000 INDOLE-3-ACETIC ACID_1 65667.0000 385800.0000 INDOLE-3-ACETIC ACID_2 73732.0000 13515.0000 100453.0000 INDOLEPYRUVATE (*) 946207.0000 554042.0000 1209371.0000 1240568.0000 1184689.0000 2060057.0000 INDOLEPYRUVATE (*)_1 39350.0000 38358.0000 76117.0000 INDOXYL 36039.0000 27816.0000 INOSINE 48252052.0000 19276839.0000 154625288.0000 150328214.0000 60734131.0000 88219878.0000 INOSINE_1 4450809.0000 791660.0000 54689641.0000 6635023.0000 14440031.0000 INOSINE_2 353035.0000 462096.0000 INOSINE_3 22475866.0000 10199241.0000 4052906.0000 24687184.0000 12203905.0000 INOSINE_4 19593371.0000 7263864.0000 67715011.0000 66070249.0000 25016601.0000 35767146.0000 INOSINE_5 563092.0000 1078902.0000 2284225.0000 2855239.0000 3264427.0000 INOSINE_6 5506033.0000 5669369.0000 1813402.0000 1505170.0000 5802677.0000 4187602.0000 INOSINE_7 22475943.0000 10199244.0000 4051496.0000 3752157.0000 24687184.0000 12668517.0000 INOSINE_8 22475867.0000 10199238.0000 4051769.0000 3752185.0000 24687208.0000 12211554.0000 INOSINE 5`-MONOPHOSPHATE 109626.0000 ISOCITRIC ACID 78208.0000 20063.0000 103621.0000 ISOLEUCINE 11454498.0000 7035696.0000 266909100.0000 388303768.0000 19061311.0000 24756033.0000 KYNURENINE 605137.0000 333962.0000 1181405.0000 1213017.0000 1982346.0000 2873133.0000 LAUROYLCARNITINE 97261.0000 546777.0000 5062108.0000 427734.0000 974979.0000 LEUCENOL 23335.0000 LEUCINE 101429922.0000 54994375.0000 1129032186.0000 1042138467.0000 186188096.0000 297473865.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*) 124290.0000 7700529.0000 6318906.0000 20421.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_1 2264362.0000 3083392.0000 73918.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_2 8306564.0000 10342936.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_3 986186.0000 1365533.0000 31994888.0000 11198393.0000 3722943.0000 1065361.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_4 117120.0000 7701311.0000 6319234.0000 20525.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_5 2263095.0000 3082948.0000 73918.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_6 8303764.0000 10344791.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_7 1023727.0000 1370339.0000 31997206.0000 11199084.0000 3720009.0000 1062868.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_8 117120.0000 7701311.0000 6318906.0000 20525.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_9 2263095.0000 3083392.0000 73918.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_10 8303764.0000 10342936.0000 LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_11 1023727.0000 1370339.0000 31997206.0000 11198393.0000 3722943.0000 1062837.0000 LL-2_6-DIAMINOHEPTANEDIOATE 28694.0000 17944.0000 L-LEUCYL-L-LEUCINE (*) 128413.0000 130201.0000 142333.0000 125114.0000 LUMICHROME 753401.0000 191403.0000 LUMICHROME_1 359553.0000 82836.0000 LUMICHROME_2 1341487.0000 110837.0000 122490.0000 LYSINE 846126.0000 724303.0000 6388594.0000 3812614.0000 1037165.0000 805910.0000 MALATE 1195280.0000 678813.0000 177670.0000 42702.0000 1842817.0000 2567077.0000 MALEAMATE 203555.0000 212746.0000 38039.0000 20009.0000 MANNOSE-6-PHOSPHATE 60539.0000 35366.0000 MANNOSE-6-PHOSPHATE_1 81257.0000 49823.0000 218003.0000 71336.0000 MELATONIN 107679.0000 METHIONINE 16798212.0000 10042260.0000 114943648.0000 83284776.0000 31663492.0000 35981210.0000 METHIONINE_1 1529620.0000 928135.0000 11363466.0000 8332309.0000 2874198.0000 3413401.0000 METHIONINE_2 2823454.0000 1697323.0000 20895197.0000 15142802.0000 5480941.0000 6154269.0000 METHYL ACETOACETATE 23959.0000 METHYL ACETOACETATE_1 362901.0000 202665.0000 17433.0000 METHYL BETA-D-GALACTOSIDE 33390.0000 20698.0000 245870.0000 84052.0000 106800.0000 METHYLGUANIDINE 26872.0000 METHYLIMIDAZOLEACETIC ACID (*) 48643.0000 131791.0000 182399.0000 173580.0000 152773.0000 METHYL JASMONATE 8616627.0000 10946151.0000 5671189.0000 1051918.0000 8595037.0000 8593998.0000 METHYL JASMONATE_1 5980310.0000 5165928.0000 2297055.0000 707169.0000 6021244.0000 4886127.0000 METHYL JASMONATE_2 5981054.0000 5165992.0000 2295958.0000 705180.0000 6016676.0000 4886018.0000 METHYL JASMONATE_3 8621243.0000 10950074.0000 5296654.0000 1165298.0000 8697827.0000 8594013.0000 METHYLMALONATE 26583.0000 METHYLMALONATE_1 1263114.0000 METHYL PARABEN 473375.0000 287429.0000 328575.0000 284150.0000 METHYL VANILLATE 351497.0000 290494.0000 MEVALOLACTONE 28376.0000 MONO-METHYL GLUTARATE 327100.0000 24947.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*) 43887.0000 2097236.0000 12270293.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_1 131718.0000 18033130.0000 58098227.0000 337413.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_2 829085.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_3 251803.0000 5899300.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_4 29066.0000 2112813.0000 12270308.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_5 21523.0000 2847725.0000 79814.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_6 106430.0000 146851.0000 18033212.0000 58093586.0000 299720.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_7 200567.0000 30050.0000 2097530.0000 12281276.0000 112163.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_8 117512.0000 18033132.0000 58095436.0000 342007.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_9 62306.0000 823531.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_10 235531.0000 5883737.0000 141224.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_11 225605.0000 30069.0000 2098215.0000 12281505.0000 112361.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_12 2896230.0000 MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_13 120088.0000 18033132.0000 58091073.0000 297116.0000 N1-ACETYLSPERMINE 21271.0000 N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*) 497776.0000 316877.0000 454504.0000 3314641.0000 N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_1 305380.0000 36419.0000 N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_2 222133.0000 N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_3 483629.0000 300195.0000 502994.0000 3137163.0000 N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_4 219673.0000 N4-(ACETYL-BETA-D-GLUCOSAMINYL)ASPARAGINE (*) 29008.0000 N4-ACETYLCYTIDINE (*) 75651.0000 84294.0000 147109.0000 183370.0000 N6-(DELTA2-ISOPENTENYL)-ADENINE 43699.0000 622241.0000 N6-(DELTA2-ISOPENTENYL)-ADENINE_1 884830.0000 482711.0000 583038.0000 N-ACETYL-D-HEXOSAMINE 16843.0000 571976.0000 N-ACETYL-D-HEXOSAMINE_1 27359.0000 36028.0000 87051.0000 215536.0000 N-ACETYL-D-HEXOSAMINE_2 137279.0000 424746.0000 482822.0000 460352.0000 N-ACETYL-DL-GLUTAMIC ACID 21556.0000 238043.0000 115230.0000 N-ACETYL-DL-GLUTAMIC ACID_1 55618.0000 21932.0000 58983.0000 49810.0000 352452.0000 80543.0000 N-ACETYL-DL-GLUTAMIC ACID_2 30220.0000 129535.0000 19870.0000 N-ACETYL-DL-GLUTAMIC ACID_3 2805189.0000 3359978.0000 3177796.0000 1603107.0000 3651699.0000 4010764.0000 N-ACETYL-DL-METHIONINE 150727.0000 185837.0000 434013.0000 781294.0000 N-ACETYL-DL-METHIONINE_1 108474.0000 146790.0000 443303.0000 525171.0000 N-ACETYL-DL-METHIONINE_2 108474.0000 146790.0000 443303.0000 525171.0000 N-ACETYL-DL-METHIONINE_3 150666.0000 186316.0000 433788.0000 783138.0000 N-ACETYL-DL-METHIONINE_4 108474.0000 146790.0000 362133.0000 476234.0000 N-ACETYL-DL-METHIONINE_5 150727.0000 185837.0000 434013.0000 781294.0000 N-ACETYL-D-TRYPTOPHAN 212935.0000 94837.0000 N-ACETYL-L-ALANINE 27224.0000 136214.0000 N-ACETYL-L-ASPARTIC ACID 263680.0000 318939.0000 415078.0000 274032.0000 612575.0000 954890.0000 N-ACETYL-L-ASPARTIC ACID_1 271894.0000 242497.0000 402412.0000 440359.0000 1253126.0000 N-ACETYL-L-CYSTEINE 14003.0000 N-ACETYL-L-CYSTEINE_1 29072.0000 94506.0000 N-ACETYL-L-CYSTEINE_2 176146.0000 432842.0000 N-ACETYL-L-LEUCINE 323170.0000 203599.0000 536462.0000 338712.0000 N-ACETYL-L-LEUCINE_1 76026.0000 N-ACETYL-L-PHENYLALANINE 38339.0000 N-ACETYL-L-PHENYLALANINE_1 28707.0000 N-ACETYLNEURAMINATE 306601.0000 183093.0000 498533.0000 373935.0000 N-ACETYLNEURAMINATE_1 127139.0000 38157.0000 176711.0000 306157.0000 N-ACETYLNEURAMINATE_2 215853.0000 67102.0000 21274.0000 291593.0000 255042.0000 N-ACETYLPUTRESCINE 84021.0000 N-ACETYLSEROTONIN 171467.0000 196218.0000 N-ACETYLSEROTONIN_1 32811.0000 N-ALPHA-ACETYL-L-ASPARAGINE 286782.0000 193895.0000 33610.0000 25939.0000 N-ALPHA-ACETYL-L-ASPARAGINE_1 288652.0000 N-ALPHA-ACETYL-L-LYSINE 257549.0000 175770.0000 717576.0000 229674.0000 419848.0000 303888.0000 N-AMIDINO-L-ASPARTATE 18147.0000 N-BENZYLOXYCARBONYLGLYCINE 2404116.0000 1306230.0000 1428848.0000 514481.0000 1853082.0000 2236033.0000 N-CYCLOHEXYLFORMAMIDE 49454.0000 24387.0000 38494.0000 44540.0000 N-CYCLOHEXYLFORMAMIDE_1 78812.0000 70529.0000 73806.0000 33698.0000 NICOTINAMIDE 15124093.0000 7264373.0000 99018096.0000 107273611.0000 26199489.0000 27068318.0000 NICOTINAMIDE ADENINE DINUCLEOTIDE 349219.0000 277495.0000 53340278.0000 64615873.0000 601029.0000 4188171.0000 NICOTINAMIDE ADENINE DINUCLEOTIDE_1 68465.0000 113573.0000 71918.0000 134021.0000 106236.0000 318117.0000 NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE 39941.0000 974359.0000 NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE_1 54708.0000 NICOTINAMIDE MONONUCLEOTIDE 58070.0000 25770.0000 459228.0000 198674.0000 1007219.0000 NICOTINAMIDE MONONUCLEOTIDE_1 58000.0000 24330.0000 458980.0000 209291.0000 1007410.0000 NICOTINATE D-RIBONUCLEOSIDE (*) 142997.0000 NICOTINATE D-RIBONUCLEOSIDE (*)_1 34924.0000 152441.0000 NICOTINATE D-RIBONUCLEOSIDE (*)_2 3679036.0000 1901753.0000 2980175.0000 2879985.0000 NICOTINATE D-RIBONUCLEOSIDE (*)_3 368006.0000 277308.0000 215406.0000 N-METHYLTYRAMINE (*) 32909.0000 22414.0000 87650.0000 N_N_N-TRIMETHYLLYSINE 27532.0000 35058.0000 120891.0000 64231.0000 53907.0000 33869.0000 N-OLEOYLGLYCINE 114253.0000 140329.0000 97481.0000 62195.0000 NORADRENALINE 90381.0000 67442.0000 72889.0000 45178.0000 NORMETANEPHRINE 135264.0000 41836.0000 206667.0000 93744.0000 107034.0000 N(PAI)-METHYL-L-HISTIDINE 36934.0000 27697.0000 86831.0000 1042312.0000 57345.0000 46402.0000 O-ACETYL-L-CARNITINE 328978.0000 38300.0000 3494597.0000 3911067.0000 3059866.0000 12261299.0000 O-ACETYL-L-CARNITINE_1 63855882.0000 38504932.0000 133211479.0000 151545158.0000 116181442.0000 229258275.0000 O-ACETYL-L-CARNITINE_2 21800.0000 OCTOPAMINE 20291.0000 OLEAMIDE 529241.0000 194489.0000 2805548.0000 OLEAMIDE_1 34046.0000 39457.0000 OLEAMIDE_2 214156.0000 97436.0000 19039.0000 608973.0000 36805.0000 OLEAMIDE_3 33946.0000 OLEAMIDE_4 214161.0000 97442.0000 19045.0000 610404.0000 36319.0000 OLEAMIDE_5 20071.0000 26649.0000 OLEAMIDE_6 529226.0000 194495.0000 2809845.0000 OLEOYLCARNITINE (*) 304535.0000 OLEOYLCARNITINE (*)_1 25114.0000 OLEOYLCARNITINE (*)_2 89375.0000 371676.0000 10593508.0000 68100869.0000 7750648.0000 2011051.0000 OLEOYLCARNITINE (*)_3 501960.0000 1972027.0000 OLEOYLCARNITINE (*)_4 621965.0000 298610.0000 5740988.0000 21749072.0000 7040838.0000 2736872.0000 OLEOYLGLYCEROPHOSPHOCHOLINE (*) 8172165.0000 24218569.0000 OLEOYLGLYCEROPHOSPHOCHOLINE (*)_1 5096720.0000 547740.0000 OLEOYLGLYCEROPHOSPHOCHOLINE (*)_2 253712.0000 433884.0000 22364120.0000 15079922.0000 852738.0000 790088.0000 OLEOYLGLYCEROPHOSPHOCHOLINE (*)_3 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O-PHOSPHONOHEXOPYRANOSE 202434.0000 198699.0000 769482.0000 337405.0000 O-PHOSPHONOHEXOPYRANOSE_1 300392.0000 53719.0000 210885.0000 118918.0000 OPHTHALMIC ACID 1737082.0000 531079.0000 476533.0000 1269507.0000 3575244.0000 ORNITHINE 28923.0000 58982.0000 17975.0000 25345.0000 ORNITHINE_1 63761.0000 95095.0000 634173.0000 59788.0000 100263.0000 OROTIDINE 5`-MONOPHOSPHATE 32655.0000 23131.0000 48529.0000 62414.0000 61881.0000 OROTIDINE 5`-MONOPHOSPHATE_1 44966.0000 O-SUCCINYL-L-HOMOSERINE 29042.0000 17805.0000 16902.0000 158977.0000 115333.0000 OXOMALONATE 14526.0000 PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*) 573965.0000 235276.0000 8649736.0000 PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)_1 4487506.0000 PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)_2 2347597.0000 1734709.0000 27372.0000 PALMITOYLCARNITINE (*) 593117.0000 255408.0000 637351.0000 32350467.0000 476678.0000 1793355.0000 PALMITOYLCARNITINE (*)_1 676359.0000 23284735.0000 138511085.0000 9973332.0000 1588424.0000 PALMITOYLCARNITINE (*)_2 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PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_9 13109441.0000 7411413.0000 PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_10 681150.0000 1423960.0000 25201531.0000 19361641.0000 1049702.0000 802175.0000 PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_11 4576340.0000 10124338.0000 21905523.0000 8220760.0000 11014684.0000 10242357.0000 PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_12 79715222.0000 61613853.0000 34972.0000 PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_13 13109707.0000 7336849.0000 PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_14 776248.0000 1421067.0000 25294967.0000 19379890.0000 1146003.0000 802025.0000 PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_15 4571004.0000 10120784.0000 21899523.0000 8256072.0000 10966897.0000 10147662.0000 PALMITOYL SPHINGOMYELIN (*) 96921376.0000 32885226.0000 173298759.0000 62631121.0000 159909271.0000 121815327.0000 PALMITOYL SPHINGOMYELIN (*)_1 1244607.0000 132114.0000 13923028.0000 35119654.0000 8593165.0000 3155768.0000 PANTOLACTONE 88218.0000 49217.0000 60646.0000 73588.0000 47946.0000 27667.0000 PANTOLACTONE_1 941276.0000 575300.0000 579176.0000 PANTOTHENIC ACID 142710.0000 232813.0000 926066.0000 326423.0000 1452044.0000 PANTOTHENIC ACID_1 257996.0000 274627.0000 10475217.0000 13429936.0000 403813.0000 1735973.0000 PANTOTHENIC ACID_2 267784.0000 282116.0000 10486872.0000 13459834.0000 407256.0000 1736666.0000 PANTOTHENIC ACID_3 142676.0000 232863.0000 926008.0000 326337.0000 1451912.0000 PARAOXON-METHYL 200417.0000 PARAOXON-METHYL_1 16922.0000 PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*) 104065.0000 13032532.0000 6654599.0000 285836.0000 PENTITOL 565378.0000 513668.0000 273385.0000 PENTOPYRANOSE 45841.0000 PHENYLACETIC ACID 38490.0000 PHENYLACETIC ACID_1 24871.0000 PHENYLACETYLGLUTAMINE (*) 716281.0000 644823.0000 1017976.0000 PHENYLACETYLGLUTAMINE (*)_1 220557.0000 184211.0000 PHENYLACETYLGLUTAMINE (*)_2 332262.0000 331955.0000 245687.0000 1326359.0000 PHENYLACETYLGLUTAMINE (*)_3 654403.0000 35164.0000 682366.0000 1063362.0000 PHENYLACETYLGLUTAMINE (*)_4 331528.0000 331955.0000 245688.0000 1326359.0000 PHENYLALANINE 2162259.0000 1255970.0000 3520030.0000 2099966.0000 PHENYLALANINE_1 13281946.0000 8007296.0000 129706667.0000 127986545.0000 22803075.0000 34346368.0000 PHENYLALANINE_2 69103351.0000 41295086.0000 586473271.0000 561940518.0000 119461602.0000 167581271.0000 PHENYLALANINE_3 2278990.0000 1338054.0000 3621404.0000 2318280.0000 PHOSPHATE 504193.0000 240591.0000 31539.0000 387608.0000 241003.0000 PHOSPHATE_1 51482.0000 187286.0000 PHOSPHOCHOLINE 321612.0000 413330.0000 3641665.0000 662173.0000 272824.0000 1874342.0000 PHOSPHOCHOLINE_1 30891.0000 PHOSPHOCREATINE 28063.0000 PHOSPHOCREATINE_1 96416.0000 217325.0000 107309.0000 PHOSPHO(ENOL)PYRUVIC ACID 79343.0000 93288.0000 76074.0000 PHOSPHOETHANOLAMINE 366200.0000 PHOSPHONOACETATE 40937.0000 PHOSPHONOACETATE_1 25194.0000 PHTHALATE 58664.0000 65495.0000 40786.0000 PIMELIC ACID 321647.0000 103251.0000 986324.0000 183714.0000 PIMELIC ACID_1 321647.0000 103251.0000 986324.0000 183714.0000 PIPECOLIC ACID 620739.0000 1122049.0000 1115519.0000 1107400.0000 1065731.0000 2344667.0000 PIPERINE (*) 149656.0000 109774.0000 PIPERINE (*)_1 581730.0000 1224217.0000 456294.0000 876546.0000 342406.0000 4763891.0000 PIPERINE (*)_2 394611.0000 1261850.0000 496912.0000 520578.0000 222099.0000 4730105.0000 PIPERINE (*)_3 149550.0000 109774.0000 PIPERINE (*)_4 581702.0000 1224092.0000 457274.0000 876546.0000 342406.0000 4762448.0000 PIPERINE (*)_5 394599.0000 1261299.0000 496879.0000 520578.0000 222099.0000 4728190.0000 PIPERINE (*)_6 149317.0000 109733.0000 PIPERINE (*)_7 581718.0000 1202761.0000 457341.0000 876603.0000 342401.0000 4753421.0000 PIPERINE (*)_8 394589.0000 1263611.0000 497085.0000 520256.0000 222100.0000 4694749.0000 PREGNENOLONE 308523.0000 453572.0000 PROLINE 7731232.0000 5433823.0000 13999393.0000 5869794.0000 14366045.0000 15937157.0000 PROLINE_1 1135435.0000 835994.0000 2218156.0000 1017318.0000 2144862.0000 2413977.0000 PROMETRYN 91090.0000 PROMETRYN_1 150575.0000 70619.0000 158120.0000 PROTOPORPHYRIN 69556.0000 29703.0000 25100.0000 PTERIN 21894.0000 180506.0000 171501.0000 34137.0000 PTERIN_1 179166.0000 171926.0000 PYRIDINE CARBOXYLIC ACID 22540.0000 20604.0000 23430.0000 12753.0000 PYRIDOXAL 73410.0000 45793.0000 PYRIDOXAL_1 83406366.0000 PYRIDOXAL_2 73935.0000 45999.0000 QUINATE 42330.0000 38776.0000 20831.0000 QUINOLIN-2-OL 34723.0000 33066.0000 37079.0000 61532.0000 QUINOLINE 410679.0000 471038.0000 57837.0000 RAFFINOSE 1799036.0000 458744.0000 46992.0000 676431.0000 465238.0000 RETINAL 42370.0000 79505.0000 RETINOATE 45574.0000 RETINOATE_1 263124.0000 128840.0000 RETINOATE_2 143486.0000 60079.0000 RETINOL 133362.0000 27335.0000 119429.0000 269820.0000 RIBOSE 5-PHOSPHATE 23537.0000 49150.0000 37322.0000 RIBULOSE 1_5-BISPHOSPHATE 31415.0000 S-ADENOSYL-L-HOMOCYSTEINE 1130713.0000 496998.0000 55632237.0000 89938248.0000 3713016.0000 14780846.0000 S-ADENOSYL-L-HOMOCYSTEINE_1 1918731.0000 985565.0000 36319701.0000 43565196.0000 4769284.0000 9816219.0000 S-ADENOSYL METHIONINE 172613.0000 56140.0000 84901.0000 126533.0000 S-ADENOSYL METHIONINE_1 13519.0000 624230.0000 1040938.0000 272918.0000 126089.0000 SALICYLAMIDE 29194.0000 23963.0000 SALICYLIC ACID 28682.0000 14167.0000 24456.0000 SALICYLIC ACID_1 28682.0000 14167.0000 24456.0000 SALSOLINOL 34035.0000 35630.0000 17641.0000 SALSOLINOL_1 143224.0000 SALSOLINOL_2 150719.0000 SELENOCYSTAMINE 45153.0000 SELENOCYSTAMINE_1 45479.0000 SERINE 14961.0000 35347.0000 56031.0000 SEROTONIN 28278.0000 55622.0000 SEROTONIN_1 36457.0000 50510.0000 S-HEXYL-GLUTATHIONE 177124.0000 SHIKIMATE 247578.0000 112671.0000 75836.0000 SHIKIMATE_1 141063.0000 SN-GLYCERO-3-PHOSPHOCHOLINE 613300.0000 281996.0000 SORBIC ACID 28114.0000 SPERMIDINE 36976.0000 45374.0000 921422.0000 15072646.0000 102915.0000 97491.0000 SPHINGANINE 15344.0000 355185.0000 25364.0000 1180164.0000 26831.0000 SPHINGANINE_1 157029.0000 57093.0000 599255.0000 1316794.0000 1262428.0000 192401.0000 SPHINGOMYELIN (CATION) 66620.0000 SPHINGOSINE (*) 388753.0000 157364.0000 4105481.0000 10418435.0000 2097246.0000 718070.0000 SPHINGOSINE (*)_1 146765.0000 2437650.0000 2308899.0000 1433092.0000 266555.0000 SQUALENE 56627.0000 34599.0000 37880.0000 390190.0000 STACHYOSE 239259.0000 580466.0000 243124.0000 221542.0000 560857.0000 452750.0000 STEAROYL SPHINGOMYELIN (*) 2078474.0000 784788.0000 4325593.0000 10707797.0000 2393088.0000 736342.0000 STEAROYL SPHINGOMYELIN (*)_1 18807842.0000 4737787.0000 16234788.0000 14693012.0000 13754805.0000 5699263.0000 STEAROYL SPHINGOMYELIN (*)_2 13686.0000 STEAROYL SPHINGOMYELIN (*)_3 2084876.0000 785257.0000 4323406.0000 10732316.0000 2393119.0000 736061.0000 STEAROYL SPHINGOMYELIN (*)_4 18919681.0000 4666028.0000 16233249.0000 14693859.0000 13755048.0000 5699307.0000 SUBERIC ACID 367269.0000 SUBERIC ACID_1 853912.0000 462653.0000 35682.0000 4173283.0000 482196.0000 SUCCINATE 82959.0000 SUCCINATE (*) 1265428.0000 363598.0000 TAURINE 766327.0000 1661912.0000 1975905.0000 TAURINE_1 332526.0000 331004.0000 20067.0000 726429.0000 1343101.0000 TAURINE_2 23882.0000 37769.0000 TAUROLITHOCHOLATE 17441.0000 TESTOSTERONE 328961.0000 996753.0000 291609.0000 275596.0000 THIAMINE 276124.0000 260272.0000 167613.0000 THIAMINE MONOPHOSPHATE 25158.0000 35757.0000 32987.0000 THIAMINE PYROPHOSPHATE 17462.0000 47330.0000 43657.0000 THIOPURINE S-METHYLETHER 88355.0000 THYMIDINE 31493.0000 24450.0000 THYMIDINE_1 36143.0000 THYMIDINE-5`-DIPHOSPHO-GLUCOSE 18883.0000 THYMINE 129300.0000 66593.0000 THYROTROPIN RELEASING HORMONE 858811.0000 791965.0000 THYROTROPIN RELEASING HORMONE_1 32489.0000 THYROXINE 50539.0000 THYROXINE_1 33387.0000 14318.0000 199709.0000 THYROXINE_2 195377.0000 TRANS-CYCLOHEXANE-1_2-DIOL 123497.0000 163060.0000 140518.0000 447338.0000 TRIMETHYLAMINE 38571.0000 1715262.0000 1570669.0000 30083.0000 TRYPTAMINE 21278.0000 764641.0000 1082822.0000 85130.0000 TRYPTOPHAN 1027818.0000 1390005.0000 1778184.0000 1574884.0000 1843612.0000 3091237.0000 TRYPTOPHAN_1 11165967.0000 12806367.0000 347369972.0000 372874986.0000 22221364.0000 38269192.0000 TRYPTOPHAN_2 4642887.0000 5333501.0000 165297715.0000 184120553.0000 8916592.0000 17067260.0000 TRYPTOPHANAMIDE 22441.0000 TRYPTOPHAN BETAINE (*) 271472.0000 147774.0000 339180.0000 TRYPTOPHAN BETAINE (*)_1 1225231.0000 722879.0000 1678287.0000 TRYPTOPHAN BETAINE (*)_2 163355.0000 585247.0000 TRYPTOPHAN BETAINE (*)_3 2589705.0000 1317820.0000 2458224.0000 1214231.0000 TRYPTOPHAN BETAINE (*)_4 163355.0000 585353.0000 TRYPTOPHAN BETAINE (*)_5 2589705.0000 1317820.0000 2458224.0000 1214231.0000 TRYPTOPHAN BETAINE (*)_6 274882.0000 159107.0000 333676.0000 150691.0000 TRYPTOPHAN BETAINE (*)_7 2585571.0000 1317350.0000 2454846.0000 1249999.0000 TRYPTOPHAN BETAINE (*)_8 274501.0000 150383.0000 339180.0000 TRYPTOPHAN BETAINE (*)_9 1258346.0000 727333.0000 1678287.0000 TRYPTOPHAN BETAINE (*)_10 163347.0000 585247.0000 TRYPTOPHAN BETAINE (*)_11 2585571.0000 1317350.0000 2458224.0000 1214231.0000 TRYPTOPHAN BETAINE (*)_12 274501.0000 150383.0000 339180.0000 TRYPTOPHAN BETAINE (*)_13 1258346.0000 727333.0000 1678287.0000 TRYPTOPHAN BETAINE (*)_14 163347.0000 585247.0000 TRYPTOPHAN BETAINE (*)_15 2585571.0000 1317350.0000 2458224.0000 1214231.0000 TYROSINE 25265642.0000 20100032.0000 149884596.0000 118310018.0000 44408588.0000 64210578.0000 TYROSINE_1 3756283.0000 3056676.0000 25244503.0000 20378875.0000 6610466.0000 10431599.0000 TYROSINE_2 1845955.0000 1483111.0000 12677359.0000 10524367.0000 3410213.0000 5067753.0000 TYROSINE_3 3744069.0000 3053926.0000 25027378.0000 19940686.0000 6609760.0000 10316240.0000 UDP-D-GLUCURONATE 21180.0000 URACIL 440527.0000 URATE 6680508.0000 8044114.0000 920772.0000 246416.0000 5207089.0000 9660687.0000 URATE_1 559640.0000 669940.0000 15157.0000 433769.0000 1321658.0000 URATE_2 35034.0000 26416.0000 115827.0000 URATE (*) 40561.0000 110652.0000 URATE (*)_1 32418.0000 64296.0000 UREA 107637.0000 197701.0000 79270.0000 UREA_1 209874.0000 180950.0000 288570.0000 URIDINE 2621512.0000 1877292.0000 3074089.0000 4523949.0000 1969975.0000 2565494.0000 URIDINE_1 9296899.0000 4436732.0000 2238299.0000 2048557.0000 4879986.0000 7772004.0000 URIDINE_2 1369445.0000 950329.0000 1372661.0000 2203485.0000 1023610.0000 1329658.0000 URIDINE_3 1369445.0000 950329.0000 1372661.0000 2203485.0000 1023610.0000 1329658.0000 URIDINE_4 9296899.0000 4436732.0000 2248008.0000 2048557.0000 4879986.0000 7772004.0000 URIDINE 5`-DIPHOSPHATE 35815.0000 46871.0000 URIDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE 294587.0000 URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINE 74361.0000 URIDINE-5-MONOPHOSPHATE 260989.0000 237786.0000 UROBILIN (*) 187735.0000 158280.0000 UROBILIN (*)_1 24816.0000 UROCANATE 211974.0000 82604.0000 URSODIOL 200029.0000 259837.0000 234450.0000 204636.0000 VALINE 2694510.0000 5528787.0000 10300358.0000 81706858.0000 3361261.0000 6829486.0000 VALINE_1 31697694.0000 17513284.0000 117794184.0000 82287696.0000 53846300.0000 54573634.0000 VALINE_2 17915248.0000 9789300.0000 66299180.0000 43381942.0000 30813939.0000 29989030.0000 VALINE_3 17619420.0000 9799149.0000 65243770.0000 40960435.0000 30417679.0000 29616735.0000 VITAMIN B12 35455.0000 VITAMIN B12_1 35455.0000 VITAMIN D2 16245.0000 VITAMIN D3 39962.0000 35907.0000 VITAMIN D3_1 28018.0000 118732.0000 XANTHINE 5960013.0000 3588978.0000 540239.0000 478729.0000 12824556.0000 15513780.0000 XANTHOSINE 228162.0000 369472.0000 796714.0000 XANTHURENIC ACID 205570.0000 207046.0000 212672.0000 872770.0000 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 26956 1,2-DIPALMITOYL-SN-GLYCEROL 49690 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE 902381 1120653 1211367 186440 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE_2 3774646 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE_3 191111 2,6-DIHYDROXYPYRIDINE 91113 58384 106455 2-HYDROXYQUINOLINE 34723 33066 37079 61532 2`,4`-DIHYDROXYACETOPHENONE 473770 287673 331739 293461 3,3`,5-TRIIODO-L-THYRONINE 23651 3,3`,5-TRIIODO-L-THYRONINE_2 20450 3,3`-DITHIODIVALINE 48771 3,4-DIHYDROXY-L-PHENYLALANINE 38477 49503 104632 3,4-DIHYDROXY-L-PHENYLALANINE_2 50442 61612 3,4-DIHYDROXYBENZOATE 267753 171077 140292 199048 3,4-DIHYDROXYBENZOATE_2 36680 3,4-DIHYDROXYMANDELIC ACID 339068 3,4-DIHYDROXYPHENYLACETATE 27001 3,5-DIIODO-L-THYRONINE 31852 26831 5BETA-DIHYDROTESTOSTERONE (*) 23212 6,7-DIHYDROBIOPTERIN 993614 997757 33852 59273 ADENOSINE 2`,3`-CYCLIC MONOPHOSPHATE 266178 ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE 39528 121479 168772 67944 78661 ALLANTOATE (*) 34140 53296 21979 39984 AMINOHYDROXYBENZOIC ACID 242058 41642 ARACHIDONOYLGLYCEROPHOSPHOCHOLINE (*) 1080394 1791861 28868693 3249047 3967987 5459595 BUTYRYLCARNITINE (*) 9777970 2420818 36775256 47622010 31615491 77529107 C-GLYCOSYLTRYPTOPHAN (*) 802180 508051 2235665 2527188 10440086 CADAVERINE 22247 CHOLESTA-5,7-DIEN-3BETA-OL 17982 CHOLESTA-5,7-DIEN-3BETA-OL_2 35125 CHOLESTA-5,7-DIEN-3BETA-OL_3 18537 CIS-4-DECENOYL CARNITINE (*) 316871 526038 97709 CYCLOHEXANE-1,3-DIONE 43847 31008 50038 97869 CYCLOHEXANE-1,3-DIONE_2 25423 CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP) 328711 283183 55723 CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)_2 21265 74164 D-GLUCONO-1,5-LACTONE 26351 DECANOYLCARNITINE (*) 188659 865993 478118 DEOXYCORTICOSTERONE ACETATE 73394 301608 DEOXYCORTICOSTERONE ACETATE_2 48652 DEOXYCORTICOSTERONE ACETATE_3 313850 203197 264072 DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (???) 2181152 3319423 1359131 787757 269148 1289435 DIACYLGLYCEROPHOSPHOGLYCEROL (*) 987293 DIETHYL AMINOMALONATE 23511 18519 38444 75133 30613 18571 DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*) 20665 45024 633237 195608 263333 DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*)_2 126258 198954 1135184 400395 432163 358996 DOCOSAHEXAENOYLGLYCEROPHOSPHOETHANOLAMINE (*) 193386 380696 196204 568456 DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINE 83469 1371514 146065 366087 250368 EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE (*) 2678129 3077492 108496918 16812673 8012317 7887980 ENKEPHALINE, (D-ALA)2-LEU 268041 319110 278169 FRUCTOSE 1,6-BIPHOSPHATE 45027 15530 56830 48573 GAMMA-GLUTAMYLMETHIONINE (*) 370257 GAMMA-GLUTAMYLTYROSINE (*) 118361 116692 194105 GLUTAMIC ACID 4671209 584674 2933146 8489124 5505834 GLUTAROYL CARNITINE (*) 241567 92149 741535 GLUTATHIONE REDUCED 438899 132071 74705 59338 2556773 1216745 GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE 175585 14216 29129 GULONO-1,4-LACTONE 19611 HOMOSTACHYDRINE (*) 186515 163090 184133 178757 ISOVALERYLCARNITINE (*) 1016881 981238 21458626 33200073 2924789 14658142 LEUCYLPHENYLALANINE (*) 388303 316514 LINOLEOYLGLYCEROPHOSPHOCHOLINE (??) 432850 262980 366395 784246 LL-2,6-DIAMINOHEPTANEDIOATE 28694 17944 METHIONYLALANINE (*) 118909 81865 2958888 3461047 223738 543192 METHYL JASMONATE (??) 5980310 5165928 2297055 707169 6021244 4886127 METHYL JASMONATE (??)_2 8616627 10946151 5671189 1051918 8595037 8593998 METHYLGLUTAROYLCARNITINE (*) 133012 587403 N,N,N-TRIMETHYLLYSINE 27532 35058 120891 64231 53907 33869 N-ACETYL-BETA-D-GLUCOSAMINYLAMINE (*) 679469 281251 471665 POSSIBLY C10H13NO2 34035 35630 17641 POSSIBLY C42H80NO7P, Na ADDUCT 6258188 2351222 12241059 5838854 5241126 3893593 PRO-HYDROXY-PRO (*) 234916 270795 473214 1493264 PROPIONYLCARNITINE (*) 3140718 3141149 80619634 117830947 4669031 34494772 RIBULOSE 1,5-BISPHOSPHATE 31415 SPERMINE 442247 27192 519787 899655 46817 60106 STEARAMIDE (*) 965901 2195759 187096 269779 STEAROYLCARNITINE (*) 413966 166387 3103296 27912590 8538461 1842820 STEAROYLGLYCEROPHOSPHOCHOLINE (*) 2667922 3071742 109125954 16871277 8001114 7849542 THIAMINE MONOPHOSPHATE 25158 35757 32987 THYMIDINE-5`-DIPHOSPHO-ALPHA-D-GLUCOSE 18883 TIGLYL CARNITINE (*) 115483 57275 1256792 1385631 275449 952428 TRANS-CYCLOHEXANE-1,2-DIOL 123497 163060 140518 447338 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 10-HYDROXYDECANOATE 74300 C02774 747272 UM_Target_ID 10-HYDROXYDECANOATE_2 74300 C02774 747652 UM_Target_ID 10-HYDROXYDECANOATE_3 74300 C02774 747653 UM_Target_ID 10-HYDROXYDECANOATE_4 74300 C02774 747654 UM_Target_ID 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE 94141 C05284 747471 UM_Target_ID 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE_2 94141 C05284 747737 UM_Target_ID 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE_3 94141 C05284 747738 UM_Target_ID 11-DEHYDROCORTICOSTERONE (*) 13783449 C05490 624935 UM_Target_ID 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 16219892 CA1375 747214 UM_Target_ID 1,2-DIPALMITOYL-SN-GLYCEROL 644078 CA1156 747436 UM_Target_ID 12-HYDROXY-DODECANOIC ACID 79034 C08317 747446 UM_Target_ID 12-HYDROXY-DODECANOIC ACID_2 79034 C08317 813036 UM_Target_ID [13C]-ARGININE 660094 UM_Target_ID [13C]-ASPARTIC ACID 660120 UM_Target_ID [13C]-ASPARTIC ACID_2 814143 UM_Target_ID [13C]-GLUTAMATE 660106 UM_Target_ID [13C]-HISTIDINE 660111 UM_Target_ID [13C]-ISOLEUCINE 660206 UM_Target_ID [13C]-LEUCINE 756133 UM_Target_ID [13C]-LYSINE 660059 UM_Target_ID [13C]-METHIONINE 756125 UM_Target_ID [13C]-METHIONINE_2 814144 UM_Target_ID [13C]-PHENYLALANINE 660230 UM_Target_ID [13C]-PROLINE 660129 UM_Target_ID [13C]-THREONINE 660102 UM_Target_ID [13C]-TYROSINE 660200 UM_Target_ID [13C]-VALINE 660154 UM_Target_ID 1-METHYLADENOSINE 27476 C02494 813591 UM_Target_ID 1-METHYLNICOTINAMIDE 10129985 C02918 746790 UM_Target_ID 1-NAPHTHYLAMINE 8640 C14790 747478 UM_Target_ID 1-OLEOYL-RAC-GLYCEROL 5283468 CA1373 747482 UM_Target_ID 2`,4`-DIHYDROXYACETOPHENONE 6990 C03663 747328 UM_Target_ID 25-HYDROXYCHOLESTEROL 53477807 C15519 747467 UM_Target_ID 2,6-DIHYDROXYPYRIDINE 69371 C03056 747340 UM_Target_ID 2-AMINO-2-DEOXYHEXOPYRANOSE 739 CA1504 747791 UM_Target_ID 2-AMINO-2-DEOXYHEXOPYRANOSE_2 739 CA1504 747793 UM_Target_ID 2-AMINOPHENOL 5801 C01987 747343 UM_Target_ID 2`-DEOXYADENOSINE 13730 C00559 746826 UM_Target_ID 2`-DEOXYADENOSINE_2 13730 C00559 747554 UM_Target_ID 2`-DEOXYADENOSINE 5`-MONOPHOSPHATE 12599 C00360 747053 UM_Target_ID 2`-DEOXYCYTIDINE 13711 C00881 747086 UM_Target_ID 2`-DEOXYCYTIDINE_2 13711 C00881 747087 UM_Target_ID 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE 150855 C00705 747627 UM_Target_ID 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE_2 150855 C00705 747628 UM_Target_ID 2-DEOXY-D-GLUCOSE 439268 C00586 757987 UM_Target_ID 2-DEOXY-GLUCOSE / 6-DEOXY-GALACTOSE 439268 C00586 660113 UM_Target_ID 2`-DEOXYGUANOSINE 187790 C00330 746787 UM_Target_ID 2`-DEOXYGUANOSINE 5`-DIPHOSPHATE 439220 C00361 746825 UM_Target_ID 2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE 65059 C00362 746771 UM_Target_ID 2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE_2 65059 C00362 747510 UM_Target_ID 2-HYDROXYBUTYRIC ACID 11266 C05984 747240 UM_Target_ID 2-HYDROXYBUTYRIC ACID_2 11266 C05984 747634 UM_Target_ID 2-HYDROXYBUTYRIC ACID_3 11266 C05984 814255 UM_Target_ID 2-HYDROXYBUTYRIC ACID_4 11266 C05984 816214 UM_Target_ID 2-HYDROXYBUTYRIC ACID_5 11266 C05984 816215 UM_Target_ID 2-HYDROXYPHENYLACETIC ACID 11914 C01983 747271 UM_Target_ID 2-METHYLGLUTARIC ACID 12046 CA1107 747353 UM_Target_ID 2-METHYLMALEATE 643798 C02226 758007 UM_Target_ID 2-OXOADIPATE 71 C00322 747371 UM_Target_ID 2-QUINOLINECARBOXYLIC ACID 7124 C06325 747349 UM_Target_ID 3-(2-HYDROXYPHENYL)PROPANOATE 873 C01198 747282 UM_Target_ID 3,3`,5-TRIIODO-L-THYRONINE 5920 C02465 747457 UM_Target_ID 3,3`,5-TRIIODO-L-THYRONINE_2 5920 C02465 747729 UM_Target_ID 3,3`-DITHIODIVALINE 258527 CA1489 746881 UM_Target_ID 3,4-DIHYDROXYBENZOATE 72 C00230 747268 UM_Target_ID 3,4-DIHYDROXYBENZOATE_2 72 C00230 747650 UM_Target_ID 3,4-DIHYDROXY-L-PHENYLALANINE 6047 C00355 747047 UM_Target_ID 3,4-DIHYDROXY-L-PHENYLALANINE_2 6047 C00355 747048 UM_Target_ID 3,4-DIHYDROXYMANDELIC ACID 85782 C07470 747413 UM_Target_ID 3,4-DIHYDROXYPHENYLACETATE 547 C01161 747339 UM_Target_ID 3-(4-HYDROXYPHENYL)LACTATE 9378 C03672 747394 UM_Target_ID 3,5-DIIODO-L-THYRONINE 123675 CE6369 747205 UM_Target_ID 3ALPHA-HYDROXY-5BETA-CHOLANATE 9903 C03990 747504 UM_Target_ID 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE 92787 CA1234 747417 UM_Target_ID 3`-CMP 66535 C05822 747146 UM_Target_ID 3`-CMP_2 66535 C05822 747536 UM_Target_ID 3-(CYSTEIN-S-YL)ACETAMINOPHEN (*) 171264 M12016 800881 UM_Target_ID 3-DEHYDROSHIKIMATE 439774 C02637 747126 UM_Target_ID 3-HYDROXY-3-METHYLGLUTARATE 1662 C03761 758022 UM_Target_ID 3-HYDROXY-DL-KYNURENINE 89 C02794 746929 UM_Target_ID 3-HYDROXY-DL-KYNURENINE_2 89 C02794 746930 UM_Target_ID 3-METHOXY-L-TYROSINE 9307 CA1364 746874 UM_Target_ID 3-METHYLADENINE 1673 C00913 747334 UM_Target_ID 3-METHYLHISTAMINE 69520 C15526 746879 UM_Target_ID 3-NITRO-L-TYROSINE 235719 CA1195 746781 UM_Target_ID 3-UREIDOPROPIONIC ACID 111 CA1202 746870 UM_Target_ID 3-UREIDOPROPIONIC ACID_2 111 CA1202 757975 UM_Target_ID 4-ACETAMIDOBUTANOATE 18189 C02946 747105 UM_Target_ID 4-ACETAMIDOBUTANOATE_2 18189 C02946 747106 UM_Target_ID 4-ACETAMIDOBUTANOATE_3 18189 C02946 747525 UM_Target_ID 4-AMINOBENZOYLGLUTAMIC ACID 65138 CA1491 747589 UM_Target_ID 4-AMINOBUTANOATE 119 C00334 747064 UM_Target_ID 4-COUMARATE 637542 C00811 747419 UM_Target_ID 4-GUANIDINOBUTANOIC ACID 500 C01035 746891 UM_Target_ID 4-HYDROXY-3-METHOXY-BENZENEMETHANOL 62348 C06317 747412 UM_Target_ID 4-HYDROXY-3-METHOXYMANDELIC 736172 C05584 747375 UM_Target_ID 4-HYDROXY-3-METHOXYMANDELIC ACID 736172 C05584 747376 UM_Target_ID 4-HYDROXY-3-METHOXYPHENYLGLYCOL 10805 CA1410 747387 UM_Target_ID 4-HYDROXY-3-METHOXYPHENYLGLYCOL_2 10805 CA1410 747388 UM_Target_ID 4-HYDROXYBENZALDEHYDE 126 C00633 757240 UM_Target_ID 4-IMIDAZOLEACETIC ACID 96215 C02835 746877 UM_Target_ID 4-METHYL-2-OXOPENTANOATE 70 C00233 758010 UM_Target_ID 4-METHYLCATECHOL 9958 C06730 747390 UM_Target_ID 4-QUINOLINECARBOXYLIC ACID 10243 C06414 747379 UM_Target_ID 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATE 65110 C04677 747181 UM_Target_ID 5-Aminoimidazole ribotide (*) 161500 C03373 813089 UM_Target_ID 5-AMINOLEVULINIC ACID 137 C00430 747173 UM_Target_ID 5`-DEOXYADENOSINE 439182 C05198 746944 UM_Target_ID 5`-DEOXYADENOSINE_2 439182 C05198 746945 UM_Target_ID 5`-DEOXYADENOSINE_3 439182 C05198 747584 UM_Target_ID 5-HYDROXY-L-TRYPTOPHAN 144 C01017 746925 UM_Target_ID 5-HYDROXY-L-TRYPTOPHAN_2 439280 C00643 746926 UM_Target_ID 5-HYDROXY-L-TRYPTOPHAN_3 439280 C00643 747578 UM_Target_ID 5-HYDROXYMETHYLURACIL 78168 C03088 747118 UM_Target_ID 5-HYDROXYPENTANOIC ACID 25945 C02804 814148 UM_Target_ID 5-HYDROXYPENTANOIC ACID_2 25945 C02804 815708 UM_Target_ID 5-HYDROXYPENTANOIC ACID_3 25945 C02804 816249 UM_Target_ID 5`-METHYLTHIOADENOSINE 439176 C00170 747025 UM_Target_ID 5`-METHYLTHIOADENOSINE_2 439176 C00170 747598 UM_Target_ID 5-OXO-PROLINE 7405 C01879 747524 UM_Target_ID 5-VALEROLACTONE 10953 C02240 758013 UM_Target_ID 6,7-DIHYDROBIOPTERIN 133246 C00268 660201 UM_Target_ID 6-HYDROXYDOPAMINE 4624 CA1404 746822 UM_Target_ID 6-HYDROXYNICOTINATE 72924 C01020 746861 UM_Target_ID 6-PHOSPHOGLUCONIC ACID 91493 C00345 746767 UM_Target_ID ACETYLCHOLINE 187 C01996 746924 UM_Target_ID ADENINE 190 C00147 747182 UM_Target_ID ADENOSINE 60961 C00212 746912 UM_Target_ID ADENOSINE_2 60961 C00212 747576 UM_Target_ID ADENOSINE_3 60961 C00212 816143 UM_Target_ID ADENOSINE_4 60961 C00212 816144 UM_Target_ID ADENOSINE 2`,3`-CYCLIC MONOPHOSPHATE CA1486 746774 UM_Target_ID ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE 6076 C00575 747168 UM_Target_ID ADENOSINE 5`-MONOPHOSPHATE 6083 C00020 746805 UM_Target_ID ADENOSINE 5`-MONOPHOSPHATE (*) 6083 C00020 814019 UM_Target_ID ADENOSINE 5`-MONOPHOSPHATE (*)_2 6083 C00020 814020 UM_Target_ID ADENOSINE DIPHOSPHATE 6022 CA1496 747779 UM_Target_ID ALANINE 602 C01401 746927 UM_Target_ID ALLANTOIN 204 C01551 747093 UM_Target_ID ALPHA-KETO-GLUTARATE 51 C00026 660149 UM_Target_ID ALPHA-KETO-GLUTARATE_2 51 C00026 758008 UM_Target_ID ALPHA-LIPOAMIDE 863 C00248 747274 UM_Target_ID ALPHA-TOCOPHEROL 14985 C02477 747495 UM_Target_ID AMINOHYDROXYBENZOIC ACID CA1514 747809 UM_Target_ID AMINOHYDROXYBUTANOIC ACID CA1508 747798 UM_Target_ID AMINOHYDROXYBUTANOIC ACID_2 CA1508 747802 UM_Target_ID AMINOHYDROXYBUTANOIC ACID_3 CA1508 816155 UM_Target_ID ANANDAMIDE 5281969 C11695 747499 UM_Target_ID ANTHRANILATE 227 C00108 747411 UM_Target_ID ARG-VAL-TRP CA1890 660265 UM_Target_ID ASCORBATE 54670067 C00072 746964 UM_Target_ID ASCORBATE_2 54670067 C00072 747588 UM_Target_ID ASCORBATE (-H) 54670067 C00072 660427 UM_Target_ID ASPARAGINE 236 C16438 746996 UM_Target_ID ASPARAGINE_2 236 C16438 746997 UM_Target_ID ASPARTATE 424 C16433 746990 UM_Target_ID ASPARTATE_2 424 C16433 746991 UM_Target_ID AZELAIC ACID 2266 C08261 816115 UM_Target_ID AZELAIC ACID_2 2266 C08261 816116 UM_Target_ID AZELAIC ACID_3 2266 C08261 816117 UM_Target_ID AZELAIC ACID_4 2266 C08261 816118 UM_Target_ID B-ALANYL-N(PAI)-METHYL-L-HISTIDINE 112072 C01262 747641 UM_Target_ID BENZENEDICARBOXYLIC ACID CA1518 747814 UM_Target_ID BETAINE 247 C00719 747523 UM_Target_ID BILIVERDIN 5280353 C00500 747256 UM_Target_ID BILIVERDIN_2 5280353 C00500 747640 UM_Target_ID BIOPTERIN 445040 C06313 660204 UM_Target_ID BIOTIN 171548 C00120 747395 UM_Target_ID BIS(2-ETHYLHEXYL)PHTHALATE 8343 C03690 747444 UM_Target_ID BIS(2-ETHYLHEXYL)PHTHALATE_2 8343 C03690 747445 UM_Target_ID BIS(2-ETHYLHEXYL)PHTHALATE_3 8343 C03690 816347 UM_Target_ID BIS(2-ETHYLHEXYL)PHTHALATE_4 8343 C03690 816348 UM_Target_ID BIS(2-ETHYLHEXYL)PHTHALATE_5 8343 C03690 816349 UM_Target_ID BIS(2-ETHYLHEXYL)PHTHALATE_6 8343 C03690 816350 UM_Target_ID BISPHOSPHOGLYCERATE 186004 C01159 758026 UM_Target_ID BOC-ALA-OH 85082 CA1333 747204 UM_Target_ID BOC-ALA-OH_2 85082 CA1333 747620 UM_Target_ID BOC-ASN 82035 C01410 747080 UM_Target_ID BOC-ASN_2 82035 C01410 816332 UM_Target_ID BOC-ASN_3 82035 C01410 816333 UM_Target_ID BOC-ASP-OH 302432 CA1350 816475 UM_Target_ID BOC-ASP-OH_2 302432 CA1350 816476 UM_Target_ID BOC-ASP-OH_3 302432 CA1350 816478 UM_Target_ID BOC-ASP-OH_4 302432 CA1350 816479 UM_Target_ID BOC-GLY-OH 78288 CA1201 747393 UM_Target_ID BOC-HIS-OH 87308 CA1336 747216 UM_Target_ID BOC-HIS-OH_2 87308 CA1336 747217 UM_Target_ID BOC-HIS-OH_3 87308 CA1336 747625 UM_Target_ID BOC-PHE-OH 77857 CA1334 747460 UM_Target_ID BOC-PRO-OH 85083 CA1335 747213 UM_Target_ID BOC-SER-OH 98766 CA1423 746876 UM_Target_ID BRADYKININ (*) 439201 C00306 814074 UM_Target_ID BRADYKININ (*)_2 439201 C00306 814075 UM_Target_ID BRADYKININ (*)_3 439201 C00306 814076 UM_Target_ID BRADYKININ DES-ARG(9) (*) M11998 814422 UM_Target_ID BRADYKININ DES-ARG(9) (*)_2 M11998 814423 UM_Target_ID BRADYKININ DES-ARG(9) (*)_3 M11998 814424 UM_Target_ID BRADYKININ DES-ARG(9) (*)_4 M11998 817017 UM_Target_ID BRADYKININ HYDROXY-PRO(3) (*) M11999 813777 UM_Target_ID BRADYKININ HYDROXY-PRO(3) (*)_2 M11999 813778 UM_Target_ID BRADYKININ HYDROXY-PRO(3) (*)_3 M11999 813779 UM_Target_ID CADAVERINE 273 C01672 747238 UM_Target_ID CADAVERINE_2 273 C01672 747239 UM_Target_ID CALCITRIOL (*) 5280453 C01673 813727 UM_Target_ID CAPECITABINE 60953 C12650 747489 UM_Target_ID CAPECITABINE_2 60953 C12650 747745 UM_Target_ID CARNITINE 288 C00487 747162 UM_Target_ID CARNOSINE 439224 C00386 747040 UM_Target_ID CERAMIDE PHOSPHOCHOLINE (*) 53481362 C00550 814101 UM_Target_ID CERAMIDE PHOSPHOCHOLINE (*)_2 53481362 C00550 814102 UM_Target_ID CERAMIDE PHOSPHOCHOLINE (*)_3 53481362 C00550 814103 UM_Target_ID CERAMIDE PHOSPHOCHOLINE (*)_4 53481362 C00550 814104 UM_Target_ID CERAMIDE PHOSPHOCHOLINE (*)_5 53481362 C00550 814105 UM_Target_ID CHOLESTA-5,7-DIEN-3BETA-OL 439423 C01164 747440 UM_Target_ID CHOLESTA-5,7-DIEN-3BETA-OL_2 439423 C01164 747441 UM_Target_ID CHOLESTA-5,7-DIEN-3BETA-OL_3 439423 C01164 747721 UM_Target_ID CHOLESTEROL 5997 C00187 747416 UM_Target_ID CHOLESTEROL (-H20) 5997 C00187 815948 UM_Target_ID CHOLIC ACID 221493 C00695 747451 UM_Target_ID CHOLINE 305 C00114 746936 UM_Target_ID CINNAMOYLGLYCINE (*) 709625 M00022 728533 UM_Target_ID CITRAMALATE 1081 C00815 747642 UM_Target_ID CITRAMALATE_2 1081 C00815 747643 UM_Target_ID CITRATE 311 C00158 747008 UM_Target_ID CITRATE_2 311 C00158 747009 UM_Target_ID CITRATE_3 311 C00158 747010 UM_Target_ID CITRULLINE 9750 C00327 747057 UM_Target_ID CITRULLINE_2 9750 C00327 747058 UM_Target_ID COENZYME A 87642 C00010 747242 UM_Target_ID CORTICOSTERONE 5753 C02140 747463 UM_Target_ID CORTICOSTERONE_2 5753 C02140 747736 UM_Target_ID CORTISOL 5754 C00735 747302 UM_Target_ID CORTISOL_2 5754 C00735 747668 UM_Target_ID CORTISOL_3 5754 C00735 747669 UM_Target_ID CORTISOL 21-ACETATE 5744 C02821 747285 UM_Target_ID CORTISOL 21-ACETATE_2 5744 C02821 747663 UM_Target_ID CORTISONE 222786 C00762 747461 UM_Target_ID CORTISONE_2 222786 C00762 747734 UM_Target_ID COTININE (*) 408 M12017 762007 UM_Target_ID CREATINE 586 C00300 746836 UM_Target_ID CREATININE 588 C00791 816598 UM_Target_ID CREATININE_2 588 C00791 816599 UM_Target_ID CREATININE FROM COMPLEX 588 C00791 747520 UM_Target_ID CYCLOHEXANE-1,3-DIONE 10434 C01066 747344 UM_Target_ID CYCLOHEXANE-1,3-DIONE_2 10434 C01066 747689 UM_Target_ID CYSTEIC ACID 72886 C00506 747508 UM_Target_ID CYSTEINE 5260155 C00736 746958 UM_Target_ID CYSTINE 595 C01420 746960 UM_Target_ID CYSTINE_2 595 C01420 747195 UM_Target_ID CYTIDINE 6175 C00475 746909 UM_Target_ID CYTIDINE_2 6175 C00475 747574 UM_Target_ID CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP) 68934 C02354 747157 UM_Target_ID CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)_2 68934 C02354 747539 UM_Target_ID CYTIDINE 5`-DIPHOSPHATE 6132 C00112 746800 UM_Target_ID CYTIDINE 5`-DIPHOSPHOCHOLINE 13804 C00307 747202 UM_Target_ID CYTIDINE 5`-MONOPHOSPHATE 6131 C00055 746844 UM_Target_ID CYTOSINE 597 C00380 747066 UM_Target_ID CYTOSINE_2 597 C00380 747611 UM_Target_ID DEHYDROASCORBATE 210328 C00425 747338 UM_Target_ID DEOXYCARNITINE 725 CA1059 746773 UM_Target_ID DEOXYCHOLATE 222528 C04483 747435 UM_Target_ID DEOXYCHOLATE_2 222528 C04483 816579 UM_Target_ID DEOXYCORTICOSTERONE 5952 C14554 747458 UM_Target_ID DEOXYCORTICOSTERONE_2 5952 C14554 747730 UM_Target_ID DEOXYCORTICOSTERONE_3 5952 C14554 747731 UM_Target_ID DEOXYRIBOSE 9828112 C01801 746894 UM_Target_ID DEOXYURIDINE 13712 C00526 747069 UM_Target_ID DEOXYURIDINE_2 13712 C00526 747189 UM_Target_ID DESMOSTEROL 439577 C01802 747481 UM_Target_ID DETHIOBIOTIN 445027 C01909 747354 UM_Target_ID DETHIOBIOTIN_2 445027 C01909 747692 UM_Target_ID D-GLUCONO-1,5-LACTONE 7027 C00198 747019 UM_Target_ID DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY) UP0027 728569 UM_Target_ID DIACYLGLYCEROPHOSPHOGLYCEROL (POSSIBLY) UP0037 728342 UM_Target_ID DIACYL-PHOSPHATIDYLCHOLINE UP0012 728538 UM_Target_ID DIETHANOLAMINE 8113 C06772 747153 UM_Target_ID DIETHYL AMINOMALONATE 81272 CA1488 747198 UM_Target_ID DIHEXOSE CA1495 747778 UM_Target_ID DIHYDROOROTATE 648 C00337 747190 UM_Target_ID DIHYDROOROTATE_2 648 C00337 757235 UM_Target_ID DIHYDROXYACETONE PHOSPHATE 668 C00111 746828 UM_Target_ID DIHYDROXYBENZOIC ACID CA1515 747810 UM_Target_ID DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY) UP0002 737143 UM_Target_ID DIMETHYLARGININE (*) 123831 C03626 813018 UM_Target_ID DIMETHYLARGININE (*)_2 123831 C03626 813019 UM_Target_ID DIMETHYLBENZIMIDAZOLE 675 C03114 747474 UM_Target_ID DIMETHYL MALEATE CA1310 747234 UM_Target_ID DIMETHYL MALEATE_2 CA1310 747632 UM_Target_ID DIMETHYLXANTHINE 185974 CA1507 816469 UM_Target_ID DIMETHYLXANTHINE_2 185974 CA1507 816470 UM_Target_ID DIOLEOYLPHOSPHATIDYLCHOLINE 6437081 Z02138 660272 UM_Target_ID DIPALMITOYLGLYCEROL (*) 644078 C00165 625666 UM_Target_ID DI-TERT-BUTYL DICARBONATE 52911111 CA1253 747500 UM_Target_ID DOCOSAHEXAENOIC ACID 445580 C06429 660269 UM_Target_ID DOCOSAHEXAENOIC ACID_2 445580 C06429 747728 UM_Target_ID DOCOSAHEXAENOIC ACID_3 445580 C06429 815063 UM_Target_ID DOCOSAHEXAENOIC ACID_4 445580 C06429 816683 UM_Target_ID DOCOSAHEXAENOIC ACID_5 445580 C06429 816684 UM_Target_ID DOPAMINE 681 C03758 747140 UM_Target_ID DOPAMINE_2 681 C03758 747141 UM_Target_ID EDTA 6049 C00284 747132 UM_Target_ID EDTA (*) 6049 C00284 816534 UM_Target_ID EDTA (*)_2 6049 C00284 817052 UM_Target_ID ENKEPHALINE, (D-ALA)2-LEU CA1037 660257 UM_Target_ID EPINEPHRINE 5816 C00788 746893 UM_Target_ID ERYTHRITOL 222285 C00503 746941 UM_Target_ID ESTRADIOL 17 ALPHA 68570 C02537 747426 UM_Target_ID ESTRIOL (*) 5756 C05141 813097 UM_Target_ID ESTRIOL (*)_2 5756 C05141 813098 UM_Target_ID ESTRONE 5870 C00468 660266 UM_Target_ID ETHYL 3-INDOLE ACETATE CA1213 747336 UM_Target_ID ETHYL 4-OXOCYCLOHEXANECARBOXYLATE 317638 CA1342 813006 UM_Target_ID ETHYLMALONIC ACID 11756 CA1366 747203 UM_Target_ID FERULATE 445858 C01494 756121 UM_Target_ID FERULATE_2 445858 C01494 816345 UM_Target_ID FLAVIN ADENINE DINUCLEOTIDE 643975 C00016 746779 UM_Target_ID FORMYL-L-METHIONINE 6995182 C03145 746884 UM_Target_ID FRUCTOSE 1,6-BIPHOSPHATE 172313 C00354 747039 UM_Target_ID GAMMA-BUTYROLACTONE 7302 CA1420 816208 UM_Target_ID GDP-GLUCOSE 644106 C00394 758002 UM_Target_ID GLUCARIC/GULARIC/SACCHARIC ACID 607 C00818 747154 UM_Target_ID GLUCOSAMINE 6-PHOSPHATE 439217 C00352 747151 UM_Target_ID GLUCOSAMINE 6-SULFATE 72361 CA1422 746916 UM_Target_ID GLUCOSE-6-PHOSPHATE 5958 C00092 746813 UM_Target_ID GLUCOSE-6-PHOSPHATE_2 5958 C00092 746815 UM_Target_ID GLUTAMINE 738 C00303 746951 UM_Target_ID GLUTAMINE_2 738 C00303 746953 UM_Target_ID GLUTAMINE_3 738 C00303 816154 UM_Target_ID GLUTARATE 743 C00489 747315 UM_Target_ID GLUTARATE_2 743 C00489 747316 UM_Target_ID GLUTARATE_3 743 C00489 747672 UM_Target_ID GLUTARATE_4 743 C00489 816248 UM_Target_ID GLUTATHIONE 975 C00127 746943 UM_Target_ID GLUTATHIONE_2 124886 C00051 746942 UM_Target_ID GLUTATHIONE OXIDIZED 975 C00127 747583 UM_Target_ID GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL CA1402 757988 UM_Target_ID GLYCERIC ACID 439194 C00258 747027 UM_Target_ID GLYCEROL PHOSPHATE CA1512 747209 UM_Target_ID GLYCEROL PHOSPHATE_2 CA1512 747807 UM_Target_ID GLYCEROPHOSPHOCHOLINE (*) 71920 C00670 813072 UM_Target_ID GLYCINE 750 C00037 660145 UM_Target_ID GLYCOCHOLATE 10140 C01921 747264 UM_Target_ID GLYCOCHOLATE_2 10140 C01921 747265 UM_Target_ID GLYCOCHOLATE_3 10140 C01921 814058 UM_Target_ID GLYCOCHOLATE_4 10140 C01921 814059 UM_Target_ID GLYCOLITHOCHOLIC ACID ETHYL ESTER 16219441 CA1349 747483 UM_Target_ID GLYCOLITHOCHOLIC ACID ETHYL ESTER_2 16219441 CA1349 747484 UM_Target_ID GLYCOLITHOCHOLIC ACID ETHYL ESTER_3 16219441 CA1349 747743 UM_Target_ID GTP 6830 C00044 758001 UM_Target_ID GUANINE 764 C00242 747000 UM_Target_ID GUANOSINE 6802 C00387 747049 UM_Target_ID GUANOSINE_2 6802 C00387 747607 UM_Target_ID GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE 24316 C00942 746792 UM_Target_ID GUANOSINE 5`-DIPHOSPHATE 8977 C00035 747185 UM_Target_ID GUANOSINE 5` MONOPHOSPHATE 6804 C00144 746849 UM_Target_ID GUANOSINE 5` MONOPHOSPHATE_2 6804 C00144 747564 UM_Target_ID GULONO-1,4-LACTONE 165105 C05410 746882 UM_Target_ID HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*) 53480465 C04230 814695 UM_Target_ID HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)_2 53480465 C04230 814696 UM_Target_ID HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)_3 53480465 C04230 814697 UM_Target_ID HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)_4 53480465 C04230 814699 UM_Target_ID HEXITOL 5460044 CA1510 747804 UM_Target_ID HEXOSE 206 C01381 747799 UM_Target_ID HEXOSE (M+K) 206 C00738 816596 UM_Target_ID HIPPURATE 464 C01586 747283 UM_Target_ID HIPPURATE_2 464 C01586 816321 UM_Target_ID HIPPURATE_3 464 C01586 816322 UM_Target_ID HISTAMINE 774 C00388 746897 UM_Target_ID HISTIDINE 773 C00768 747149 UM_Target_ID HISTIDINOL 165271 C00860 746866 UM_Target_ID HOMOCYSTEINE 778 C05330 816073 UM_Target_ID HOMOCYSTINE 10010 C01817 747117 UM_Target_ID HOMOGENTISATE 780 C00544 747383 UM_Target_ID HOMOSERINE 12647 C00263 816597 UM_Target_ID HOMOVANILLATE 1738 C05582 747377 UM_Target_ID HOMOVANILLATE_2 1738 C05582 747378 UM_Target_ID HOMOVANILLATE_3 1738 C05582 747702 UM_Target_ID HYDROXYBENZALDEHYDE 6998 CA1516 747811 UM_Target_ID HYPOXANTHINE 790 C00262 747602 UM_Target_ID HYPOXANTHINE_2 790 C00262 816202 UM_Target_ID HYPOXANTHINE_3 790 C00262 816203 UM_Target_ID HYPOXANTHINE_4 790 C00262 816204 UM_Target_ID HYPOXANTHINE_5 790 C00262 816205 UM_Target_ID HYPOXANTHINE_6 790 C00262 816206 UM_Target_ID INDOLE-3-ACETAMIDE 397 C02693 747686 UM_Target_ID INDOLE-3-ACETIC ACID 802 C00954 747718 UM_Target_ID INDOLE-3-ACETIC ACID_2 802 C00954 816660 UM_Target_ID INDOLE-3-ACETIC ACID_3 802 C00954 816661 UM_Target_ID INDOLEPYRUVATE (*) 15030923 C00331 813485 UM_Target_ID INDOLEPYRUVATE (*)_2 15030923 C00331 813486 UM_Target_ID INDOXYL 50591 C05658 746896 UM_Target_ID INOSINE 6021 C00294 747022 UM_Target_ID INOSINE_2 6021 C00294 815091 UM_Target_ID INOSINE_3 6021 C00294 815092 UM_Target_ID INOSINE_4 6021 C00294 815093 UM_Target_ID INOSINE_5 6021 C00294 815094 UM_Target_ID INOSINE_6 6021 C00294 815095 UM_Target_ID INOSINE_7 6021 C00294 815096 UM_Target_ID INOSINE_8 6021 C00294 816872 UM_Target_ID INOSINE_9 6021 C00294 817085 UM_Target_ID INOSINE 5`-MONOPHOSPHATE 8582 C00130 747572 UM_Target_ID ISOCITRIC ACID 1198 C00311 747155 UM_Target_ID ISOLEUCINE 791 C16434 756128 UM_Target_ID KYNURENINE 846 C01718 747103 UM_Target_ID LAUROYLCARNITINE 10427569 CA1406 746789 UM_Target_ID LEUCENOL 440473 C04771 747119 UM_Target_ID LEUCINE 5255803 C16439 756130 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*) 5280646 C04100 816590 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_2 5280646 C04100 816591 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_3 5280646 C04100 816592 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_4 5280646 C04100 816593 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_5 5280646 C04100 817055 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_6 5280646 C04100 817056 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_7 5280646 C04100 817057 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_8 5280646 C04100 817058 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_9 5280646 C04100 817059 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_10 5280646 C04100 817060 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_11 5280646 C04100 817061 UM_Target_ID LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)_12 5280646 C04100 817062 UM_Target_ID LL-2,6-DIAMINOHEPTANEDIOATE 1549100 C00666 747090 UM_Target_ID L-LEUCYL-L-LEUCINE (*) 94244 C11332 813040 UM_Target_ID LUMICHROME 5326566 C01727 747319 UM_Target_ID LUMICHROME_2 5326566 C01727 747675 UM_Target_ID LUMICHROME_3 5326566 C01727 747676 UM_Target_ID LYSINE 866 C16440 747142 UM_Target_ID MALATE 525 C00711 816973 UM_Target_ID MALEAMATE 6971239 C01596 746937 UM_Target_ID MANNOSE-6-PHOSPHATE 439198 C00275 746830 UM_Target_ID MANNOSE-6-PHOSPHATE_2 439198 C00275 747556 UM_Target_ID MELATONIN 896 C01598 814498 UM_Target_ID METHIONINE 876 C01733 746972 UM_Target_ID METHIONINE_2 876 C01733 746973 UM_Target_ID METHIONINE_3 876 C01733 746974 UM_Target_ID METHYL ACETOACETATE 7757 CA1265 747402 UM_Target_ID METHYL ACETOACETATE_2 7757 CA1265 747717 UM_Target_ID METHYL BETA-D-GALACTOSIDE 94214 C03619 746846 UM_Target_ID METHYLGUANIDINE 10111 C02294 660089 UM_Target_ID METHYLIMIDAZOLEACETIC ACID (*) 75810 C05828 814146 UM_Target_ID METHYL JASMONATE 5281929 C11512 747447 UM_Target_ID METHYL JASMONATE_2 5281929 C11512 747448 UM_Target_ID METHYL JASMONATE_3 5281929 C11512 814871 UM_Target_ID METHYL JASMONATE_4 5281929 C11512 814872 UM_Target_ID METHYLMALONATE 487 C02170 747278 UM_Target_ID METHYLMALONATE_2 487 C02170 747658 UM_Target_ID METHYL PARABEN 7456 CA1357 747644 UM_Target_ID METHYL VANILLATE 16522 CA1479 747260 UM_Target_ID MEVALOLACTONE CA1091 816243 UM_Target_ID MONO-METHYL GLUTARATE 73917 CA1015 660241 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*) 53480465 C04230 813236 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_2 53480465 C04230 813237 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_3 53480465 C04230 815473 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_4 53480465 C04230 815474 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_5 53480465 C04230 815475 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_6 53480465 C04230 815476 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_7 53480465 C04230 815477 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_8 53480465 C04230 817010 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_9 53480465 C04230 817011 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_10 53480465 C04230 817080 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_11 53480465 C04230 817081 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_12 53480465 C04230 817082 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_13 53480465 C04230 817083 UM_Target_ID MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)_14 53480465 C04230 817084 UM_Target_ID N1-ACETYLSPERMINE 916 C02567 746922 UM_Target_ID N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*) 69698 C05842 815485 UM_Target_ID N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_2 69698 C05842 815486 UM_Target_ID N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_3 69698 C05842 815487 UM_Target_ID N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_4 69698 C05842 817032 UM_Target_ID N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)_5 69698 C05842 817033 UM_Target_ID N4-(ACETYL-BETA-D-GLUCOSAMINYL)ASPARAGINE (*) 123826 C04540 814145 UM_Target_ID N4-ACETYLCYTIDINE (*) 269438 M12019 800890 UM_Target_ID N6-(DELTA2-ISOPENTENYL)-ADENINE 92180 C04083 747286 UM_Target_ID N6-(DELTA2-ISOPENTENYL)-ADENINE_2 92180 C04083 747288 UM_Target_ID N-ACETYL-D-HEXOSAMINE 24139 CA1500 747784 UM_Target_ID N-ACETYL-D-HEXOSAMINE_2 24139 CA1500 747786 UM_Target_ID N-ACETYL-D-HEXOSAMINE_3 24139 CA1500 747787 UM_Target_ID N-ACETYL-DL-GLUTAMIC ACID 185 CA1454 746857 UM_Target_ID N-ACETYL-DL-GLUTAMIC ACID_2 185 CA1454 746858 UM_Target_ID N-ACETYL-DL-GLUTAMIC ACID_3 185 CA1454 746859 UM_Target_ID N-ACETYL-DL-GLUTAMIC ACID_4 185 CA1454 747566 UM_Target_ID N-ACETYL-DL-METHIONINE 6180 CA1210 746803 UM_Target_ID N-ACETYL-DL-METHIONINE_2 6180 CA1210 747545 UM_Target_ID N-ACETYL-DL-METHIONINE_3 6180 CA1210 816140 UM_Target_ID N-ACETYL-DL-METHIONINE_4 6180 CA1210 816141 UM_Target_ID N-ACETYL-DL-METHIONINE_5 6180 CA1210 816150 UM_Target_ID N-ACETYL-DL-METHIONINE_6 6180 CA1210 816151 UM_Target_ID N-ACETYL-D-TRYPTOPHAN 439917 C03137 747123 UM_Target_ID N-ACETYL-L-ALANINE 88064 CE1554 747563 UM_Target_ID N-ACETYL-L-ASPARTIC ACID 65065 C01042 747548 UM_Target_ID N-ACETYL-L-ASPARTIC ACID_2 65065 CA1200 746808 UM_Target_ID N-ACETYL-L-CYSTEINE 581 CE1310 746862 UM_Target_ID N-ACETYL-L-CYSTEINE_2 581 CE1310 746863 UM_Target_ID N-ACETYL-L-CYSTEINE_3 581 CE1310 747568 UM_Target_ID N-ACETYL-L-LEUCINE 70912 C02710 747327 UM_Target_ID N-ACETYL-L-LEUCINE_2 70912 C02710 747682 UM_Target_ID N-ACETYL-L-PHENYLALANINE 74839 C03519 747321 UM_Target_ID N-ACETYL-L-PHENYLALANINE_2 74839 C03519 747678 UM_Target_ID N-ACETYLNEURAMINATE 439197 C00270 747015 UM_Target_ID N-ACETYLNEURAMINATE_2 439197 C00270 747016 UM_Target_ID N-ACETYLNEURAMINATE_3 439197 C00270 747017 UM_Target_ID N-ACETYLPUTRESCINE 122356 C02714 746852 UM_Target_ID N-ACETYLSEROTONIN 903 C00978 747356 UM_Target_ID N-ACETYLSEROTONIN_2 903 C00978 747695 UM_Target_ID N-ALPHA-ACETYL-L-ASPARAGINE CA1214 746817 UM_Target_ID N-ALPHA-ACETYL-L-ASPARAGINE_2 CA1214 746818 UM_Target_ID N-ALPHA-ACETYL-L-LYSINE 192590 CA1219 746783 UM_Target_ID N-AMIDINO-L-ASPARTATE 439918 C03139 747559 UM_Target_ID N-BENZYLOXYCARBONYLGLYCINE 14349 C03710 747273 UM_Target_ID N-CYCLOHEXYLFORMAMIDE 13017 C11519 747391 UM_Target_ID N-CYCLOHEXYLFORMAMIDE_2 13017 C11519 747709 UM_Target_ID NICOTINAMIDE 936 C00153 747004 UM_Target_ID NICOTINAMIDE ADENINE DINUCLEOTIDE 10897651 C00003 746950 UM_Target_ID NICOTINAMIDE ADENINE DINUCLEOTIDE_2 10897651 C00003 747586 UM_Target_ID NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE 5886 C00006 746806 UM_Target_ID NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE_2 5886 C00006 747547 UM_Target_ID NICOTINAMIDE MONONUCLEOTIDE 71750997 C00455 747055 UM_Target_ID NICOTINAMIDE MONONUCLEOTIDE_2 71750997 C00455 756126 UM_Target_ID NICOTINATE D-RIBONUCLEOSIDE (*) 161233 C05841 815901 UM_Target_ID NICOTINATE D-RIBONUCLEOSIDE (*)_2 161233 C05841 815902 UM_Target_ID NICOTINATE D-RIBONUCLEOSIDE (*)_3 161233 C05841 815904 UM_Target_ID NICOTINATE D-RIBONUCLEOSIDE (*)_4 161233 C05841 815905 UM_Target_ID N-METHYLTYRAMINE (*) 9727 C02442 814538 UM_Target_ID N,N,N-TRIMETHYLLYSINE 440120 C03793 747158 UM_Target_ID N-OLEOYLGLYCINE 6436908 CA1254 747429 UM_Target_ID NORADRENALINE 951 C00547 747196 UM_Target_ID NORMETANEPHRINE 1237 CA1379 747183 UM_Target_ID N(PAI)-METHYL-L-HISTIDINE 64969 C01152 747096 UM_Target_ID O-ACETYL-L-CARNITINE 1 C02571 746885 UM_Target_ID O-ACETYL-L-CARNITINE_2 1 C02571 746886 UM_Target_ID O-ACETYL-L-CARNITINE_3 1 C02571 746887 UM_Target_ID OCTOPAMINE 440266 C04227 746782 UM_Target_ID OLEAMIDE 1930 CA1223 747459 UM_Target_ID OLEAMIDE_2 1930 CA1223 747732 UM_Target_ID OLEAMIDE_3 1930 CA1223 747733 UM_Target_ID OLEAMIDE_4 1930 CA1223 813075 UM_Target_ID OLEAMIDE_5 1930 CA1223 813077 UM_Target_ID OLEAMIDE_6 1930 CA1223 813078 UM_Target_ID OLEAMIDE_7 1930 CA1223 813079 UM_Target_ID OLEOYLCARNITINE (*) 53477789 M01433 815650 UM_Target_ID OLEOYLCARNITINE (*)_2 53477789 M01433 815651 UM_Target_ID OLEOYLCARNITINE (*)_3 53477789 M01433 815652 UM_Target_ID OLEOYLCARNITINE (*)_4 53477789 M01433 815653 UM_Target_ID OLEOYLCARNITINE (*)_5 53477789 M01433 815654 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*) 5280634 C03916 815665 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_2 5280634 C03916 815666 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_3 5280634 C03916 815667 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_4 5280634 C03916 815668 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_5 5280634 C03916 817034 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_6 5280634 C03916 817035 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_7 5280634 C03916 817036 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_8 5280634 C03916 817037 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_9 5280634 C03916 817038 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_10 5280634 C03916 817039 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_11 5280634 C03916 817040 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_12 5280634 C03916 817041 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_13 5280634 C03916 817042 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_14 5280634 C03916 817043 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_15 5280634 C03916 817044 UM_Target_ID OLEOYLGLYCEROPHOSPHOCHOLINE (*)_16 5280634 C03916 817045 UM_Target_ID O-PHOSPHO-DL-SERINE 106 CA1209 747072 UM_Target_ID O-PHOSPHO-DL-SERINE_2 106 CA1209 747521 UM_Target_ID O-PHOSPHONOHEXOPYRANOSE CA1494 747780 UM_Target_ID O-PHOSPHONOHEXOPYRANOSE_2 CA1494 747781 UM_Target_ID OPHTHALMIC ACID 7018721 CA1475 747250 UM_Target_ID ORNITHINE 389 C01602 746797 UM_Target_ID ORNITHINE_2 389 C01602 747518 UM_Target_ID OROTIDINE 5`-MONOPHOSPHATE 160617 C01103 746785 UM_Target_ID OROTIDINE 5`-MONOPHOSPHATE_2 160617 C01103 747514 UM_Target_ID O-SUCCINYL-L-HOMOSERINE 439406 C01118 747092 UM_Target_ID OXOMALONATE 10132 C00830 746791 UM_Target_ID PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*) 24779461 M12010 817046 UM_Target_ID PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)_2 24779461 M12010 817047 UM_Target_ID PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)_3 24779461 M12010 817048 UM_Target_ID PALMITOYLCARNITINE (*) 11953816 C02990 815974 UM_Target_ID PALMITOYLCARNITINE (*)_2 11953816 C02990 816233 UM_Target_ID PALMITOYLCARNITINE (*)_3 11953816 C02990 816234 UM_Target_ID PALMITOYLCARNITINE (*)_4 11953816 C02990 817086 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*) 86555 C04102 816648 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_2 86555 C04102 816649 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_3 86555 C04102 816650 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_4 86555 C04102 816651 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_5 86555 C04102 817065 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_6 86555 C04102 817066 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_7 86555 C04102 817067 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_8 86555 C04102 817068 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_9 86555 C04102 817069 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_10 86555 C04102 817070 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_11 86555 C04102 817071 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_12 86555 C04102 817072 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_13 86555 C04102 817073 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_14 86555 C04102 817074 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_15 86555 C04102 817075 UM_Target_ID PALMITOYLGLYCEROPHOSPHOCHOLINE (*)_16 86555 C04102 817076 UM_Target_ID PALMITOYL SPHINGOMYELIN (*) 53394029 M12007 800875 UM_Target_ID PALMITOYL SPHINGOMYELIN (*)_2 53394029 M12007 800876 UM_Target_ID PANTOLACTONE 439368 C01012 747269 UM_Target_ID PANTOLACTONE_2 439368 C01012 747270 UM_Target_ID PANTOTHENIC ACID 988 C00864 746903 UM_Target_ID PANTOTHENIC ACID_2 988 C00864 747573 UM_Target_ID PANTOTHENIC ACID_3 988 C00864 813029 UM_Target_ID PANTOTHENIC ACID_4 988 C00864 813030 UM_Target_ID PARAOXON-METHYL 13708 CA1476 747741 UM_Target_ID PARAOXON-METHYL_2 13708 CA1476 747742 UM_Target_ID PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*) M00009 800874 UM_Target_ID PENTITOL 827 CA1511 747805 UM_Target_ID PENTOPYRANOSE 641630 CA1493 747776 UM_Target_ID PHENYLACETIC ACID 999 C07086 747399 UM_Target_ID PHENYLACETIC ACID_2 999 C07086 747716 UM_Target_ID PHENYLACETYLGLUTAMINE (*) 306137 C04148 813565 UM_Target_ID PHENYLACETYLGLUTAMINE (*)_2 306137 C04148 813566 UM_Target_ID PHENYLACETYLGLUTAMINE (*)_3 306137 C04148 813567 UM_Target_ID PHENYLACETYLGLUTAMINE (*)_4 306137 C04148 816771 UM_Target_ID PHENYLACETYLGLUTAMINE (*)_5 306137 C04148 816772 UM_Target_ID PHENYLALANINE 994 C02057 746984 UM_Target_ID PHENYLALANINE_2 994 C02057 747593 UM_Target_ID PHENYLALANINE_3 994 C02057 816309 UM_Target_ID PHENYLALANINE_4 994 C02057 816310 UM_Target_ID PHOSPHATE 1004 C00009 746955 UM_Target_ID PHOSPHATE_2 1004 C00009 747587 UM_Target_ID PHOSPHOCHOLINE 1014 C00588 746811 UM_Target_ID PHOSPHOCHOLINE_2 1014 C00588 746812 UM_Target_ID PHOSPHOCREATINE 587 C02305 747186 UM_Target_ID PHOSPHOCREATINE_2 587 C02305 747187 UM_Target_ID PHOSPHO(ENOL)PYRUVIC ACID 1005 C00074 747159 UM_Target_ID PHOSPHOETHANOLAMINE 1015 C00346 747164 UM_Target_ID PHOSPHONOACETATE 546 C05682 747143 UM_Target_ID PHOSPHONOACETATE_2 546 C05682 747535 UM_Target_ID PHTHALATE 1017 C01606 747670 UM_Target_ID PIMELIC ACID 385 C02656 747320 UM_Target_ID PIMELIC ACID_2 385 C02656 816336 UM_Target_ID PIPECOLIC ACID 849 C00408 746816 UM_Target_ID PIPERINE (*) 638024 C03882 813631 UM_Target_ID PIPERINE (*)_2 638024 C03882 813632 UM_Target_ID PIPERINE (*)_3 638024 C03882 813633 UM_Target_ID PIPERINE (*)_4 638024 C03882 817077 UM_Target_ID PIPERINE (*)_5 638024 C03882 817078 UM_Target_ID PIPERINE (*)_6 638024 C03882 817079 UM_Target_ID PIPERINE (*)_7 638024 C03882 817087 UM_Target_ID PIPERINE (*)_8 638024 C03882 817088 UM_Target_ID PIPERINE (*)_9 638024 C03882 817089 UM_Target_ID PREGNENOLONE 8955 C01953 747453 UM_Target_ID PROLINE 614 C16435 746980 UM_Target_ID PROLINE_2 614 C16435 746981 UM_Target_ID PROMETRYN 4929 CA1277 747497 UM_Target_ID PROMETRYN_2 4929 CA1277 747498 UM_Target_ID PROTOPORPHYRIN 4971 C02191 747491 UM_Target_ID PTERIN 73000 C00715 746976 UM_Target_ID PTERIN_2 73000 C00715 747348 UM_Target_ID PYRIDINE CARBOXYLIC ACID CA1509 747803 UM_Target_ID PYRIDOXAL 1050 C00250 747408 UM_Target_ID PYRIDOXAL_2 1050 C00250 747409 UM_Target_ID PYRIDOXAL_3 1050 C00250 813004 UM_Target_ID QUINATE 441074 C00296 747029 UM_Target_ID QUINOLIN-2-OL 6038 C06338 747366 UM_Target_ID QUINOLINE 7047 C06413 747486 UM_Target_ID RAFFINOSE 439242 C00492 746913 UM_Target_ID RETINAL 638015 C00376 660271 UM_Target_ID RETINOATE 444795 C00777 814916 UM_Target_ID RETINOATE_2 444795 C00777 814918 UM_Target_ID RETINOATE_3 444795 C00777 814919 UM_Target_ID RETINOL 445354 C00473 660422 UM_Target_ID RIBOSE 5-PHOSPHATE 439167 C00117 747225 UM_Target_ID RIBULOSE 1,5-BISPHOSPHATE 123658 C01182 747177 UM_Target_ID S-ADENOSYL-L-HOMOCYSTEINE 439155 C00021 746796 UM_Target_ID S-ADENOSYL-L-HOMOCYSTEINE_2 439155 C00021 747517 UM_Target_ID S-ADENOSYL METHIONINE 16757548 C00019 746768 UM_Target_ID S-ADENOSYL METHIONINE_2 16757548 C00019 746769 UM_Target_ID SALICYLAMIDE 5147 CA1193 747370 UM_Target_ID SALICYLIC ACID 338 C00805 747392 UM_Target_ID SALICYLIC ACID_2 338 C00805 816147 UM_Target_ID SALSOLINOL 54456 C09642 747380 UM_Target_ID SALSOLINOL_2 54456 C09642 757247 UM_Target_ID SALSOLINOL_3 54456 C09642 814286 UM_Target_ID SELENOCYSTAMINE 115119 CA1403 746801 UM_Target_ID SELENOCYSTAMINE_2 115119 CA1403 746802 UM_Target_ID SERINE 617 C00716 746956 UM_Target_ID SEROTONIN 5202 C00780 747403 UM_Target_ID SEROTONIN_2 5202 C00780 747404 UM_Target_ID S-HEXYL-GLUTATHIONE 97536 C02886 758021 UM_Target_ID SHIKIMATE 8742 C00493 747045 UM_Target_ID SHIKIMATE_2 8742 C00493 747046 UM_Target_ID SN-GLYCERO-3-PHOSPHOCHOLINE 71920 C00670 747630 UM_Target_ID SORBIC ACID 1550734 CA1411 747396 UM_Target_ID SPERMIDINE 1102 C00315 747171 UM_Target_ID SPHINGANINE 91486 C00836 747432 UM_Target_ID SPHINGANINE_2 91486 C00836 816719 UM_Target_ID SPHINGOMYELIN (CATION) 53481362 C00550 660274 UM_Target_ID SPHINGOSINE (*) 5280335 C00319 816516 UM_Target_ID SPHINGOSINE (*)_2 5280335 C00319 816517 UM_Target_ID SQUALENE 5280370 C00751 660424 UM_Target_ID STACHYOSE 439531 C01613 747229 UM_Target_ID STEAROYL SPHINGOMYELIN (*) 53481362 C00550 813364 UM_Target_ID STEAROYL SPHINGOMYELIN (*)_2 53481362 C00550 813365 UM_Target_ID STEAROYL SPHINGOMYELIN (*)_3 53481362 C00550 817013 UM_Target_ID STEAROYL SPHINGOMYELIN (*)_4 53481362 C00550 817014 UM_Target_ID STEAROYL SPHINGOMYELIN (*)_5 53481362 C00550 817015 UM_Target_ID SUBERIC ACID 10457 C08278 660254 UM_Target_ID SUBERIC ACID_2 10457 C08278 747367 UM_Target_ID SUCCINATE 1110 C00042 746982 UM_Target_ID SUCCINATE (*) 1110 C00042 816095 UM_Target_ID TAURINE 1123 C00245 747005 UM_Target_ID TAURINE_2 1123 C00245 747006 UM_Target_ID TAURINE_3 1123 C00245 747594 UM_Target_ID TAUROLITHOCHOLATE 439763 C02592 747430 UM_Target_ID TESTOSTERONE 6013 C00535 757995 UM_Target_ID THIAMINE 44134964 C00378 747552 UM_Target_ID THIAMINE MONOPHOSPHATE 3382778 C01081 746850 UM_Target_ID THIAMINE PYROPHOSPHATE 1132 C00068 746864 UM_Target_ID THIOPURINE S-METHYLETHER 5778 C03542 747649 UM_Target_ID THYMIDINE 5789 C00214 747026 UM_Target_ID THYMIDINE_2 5789 C00214 747599 UM_Target_ID THYMIDINE-5`-DIPHOSPHO-GLUCOSE 443210 C00842 660152 UM_Target_ID THYMINE 1135 C00178 747030 UM_Target_ID THYROTROPIN RELEASING HORMONE 638678 C03958 747114 UM_Target_ID THYROTROPIN RELEASING HORMONE_2 638678 C03958 747528 UM_Target_ID THYROXINE 5819 C01829 747442 UM_Target_ID THYROXINE_2 5819 C01829 747722 UM_Target_ID THYROXINE_3 5819 C01829 815389 UM_Target_ID TRANS-CYCLOHEXANE-1,2-DIOL 92886 C03739 747109 UM_Target_ID TRIMETHYLAMINE 1146 C00565 747230 UM_Target_ID TRYPTAMINE 1150 C00398 747290 UM_Target_ID TRYPTOPHAN 53481655 C00806 746977 UM_Target_ID TRYPTOPHAN_2 53481655 C00806 746978 UM_Target_ID TRYPTOPHAN_3 53481655 C00806 747591 UM_Target_ID TRYPTOPHANAMIDE 439356 C00977 747635 UM_Target_ID TRYPTOPHAN BETAINE (*) 442106 C09213 814564 UM_Target_ID TRYPTOPHAN BETAINE (*)_2 442106 C09213 814565 UM_Target_ID TRYPTOPHAN BETAINE (*)_3 442106 C09213 814566 UM_Target_ID TRYPTOPHAN BETAINE (*)_4 442106 C09213 814567 UM_Target_ID TRYPTOPHAN BETAINE (*)_5 442106 C09213 816080 UM_Target_ID TRYPTOPHAN BETAINE (*)_6 442106 C09213 816081 UM_Target_ID TRYPTOPHAN BETAINE (*)_7 442106 C09213 816740 UM_Target_ID TRYPTOPHAN BETAINE (*)_8 442106 C09213 816742 UM_Target_ID TRYPTOPHAN BETAINE (*)_9 442106 C09213 817020 UM_Target_ID TRYPTOPHAN BETAINE (*)_10 442106 C09213 817021 UM_Target_ID TRYPTOPHAN BETAINE (*)_11 442106 C09213 817022 UM_Target_ID TRYPTOPHAN BETAINE (*)_12 442106 C09213 817023 UM_Target_ID TRYPTOPHAN BETAINE (*)_13 442106 C09213 817026 UM_Target_ID TRYPTOPHAN BETAINE (*)_14 442106 C09213 817027 UM_Target_ID TRYPTOPHAN BETAINE (*)_15 442106 C09213 817028 UM_Target_ID TRYPTOPHAN BETAINE (*)_16 442106 C09213 817029 UM_Target_ID TYROSINE 1153 C01536 746987 UM_Target_ID TYROSINE_2 1153 C01536 746988 UM_Target_ID TYROSINE_3 1153 C01536 746989 UM_Target_ID TYROSINE_4 1153 C01536 814245 UM_Target_ID UDP-D-GLUCURONATE 17473 C00167 758003 UM_Target_ID URACIL 12212752 746985 UM_Target_ID URATE 1175 C00366 747059 UM_Target_ID URATE_2 5248845 813474 UM_Target_ID URATE_3 5248845 813476 UM_Target_ID URATE (*) 5248845 813473 UM_Target_ID URATE (*)_2 5248845 813475 UM_Target_ID UREA 1176 C00086 758016 UM_Target_ID UREA_2 1176 C00086 758017 UM_Target_ID URIDINE 6029 C00299 747035 UM_Target_ID URIDINE_2 6029 C00299 747036 UM_Target_ID URIDINE_3 6029 C00299 747603 UM_Target_ID URIDINE_4 816145 UM_Target_ID URIDINE_5 816146 UM_Target_ID URIDINE 5`-DIPHOSPHATE 6031 747211 UM_Target_ID URIDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE 23724461 758018 UM_Target_ID URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINE 445675 747184 UM_Target_ID URIDINE-5-MONOPHOSPHATE 6030 C00105 746979 UM_Target_ID UROBILIN (*) 6433298 815629 UM_Target_ID UROBILIN (*)_2 6433298 815631 UM_Target_ID UROCANATE 736715 C00785 747097 UM_Target_ID URSODIOL 127601 C07880 747421 UM_Target_ID VALINE 5237032 C16436 746998 UM_Target_ID VALINE_2 5237032 C16436 756118 UM_Target_ID VALINE_3 746999 UM_Target_ID VALINE_4 756117 UM_Target_ID VITAMIN B12 6438156 746923 UM_Target_ID VITAMIN B12_2 6438156 758029 UM_Target_ID VITAMIN D2 5280793 C05441 747502 UM_Target_ID VITAMIN D3 10883523 C05443 747492 UM_Target_ID VITAMIN D3_2 10883523 C05443 747493 UM_Target_ID XANTHINE 1188 C00385 747194 UM_Target_ID XANTHOSINE 64959 C01762 747110 UM_Target_ID XANTHURENIC ACID 5699 747306 UM_Target_ID 2-HYDROXYQUINOLINE C06338 5BETA-DIHYDROTESTOSTERONE (*) C05293 ALLANTOATE (*) C00499 AMINOHYDROXYBENZOIC ACID CA1514 ARACHIDONOYLGLYCEROPHOSPHOCHOLINE (*) C05208 BUTYRYLCARNITINE (*) M00004 C-GLYCOSYLTRYPTOPHAN (*) M00067 CADAVERINE C01672 CIS-4-DECENOYL CARNITINE (*) M00018 DECANOYLCARNITINE (*) M00023 DEOXYCORTICOSTERONE ACETATE C14554 DEOXYCORTICOSTERONE ACETATE_2 C14554 DEOXYCORTICOSTERONE ACETATE_3 C14554 DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (???) M12008 DIACYLGLYCEROPHOSPHOGLYCEROL (*) M00001 DIETHYL AMINOMALONATE CA1488 DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*) C04230 DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*)_2 C04230 DOCOSAHEXAENOYLGLYCEROPHOSPHOETHANOLAMINE (*) M12003 DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINE M00011 EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE (*) M12006 GAMMA-GLUTAMYLMETHIONINE (*) M00013 GAMMA-GLUTAMYLTYROSINE (*) M12012 GLUTAMIC ACID C00302 GLUTAROYL CARNITINE (*) M00066 GLUTATHIONE REDUCED C00051 HOMOSTACHYDRINE (*) C08283 ISOVALERYLCARNITINE (*) M00007 LEUCYLPHENYLALANINE (*) M00029 LINOLEOYLGLYCEROPHOSPHOCHOLINE (??) M00003 METHIONYLALANINE (*) M00027 METHYL JASMONATE (??) C11512 METHYL JASMONATE (??)_2 C11512 METHYLGLUTAROYLCARNITINE (*) M12018 N-ACETYL-BETA-D-GLUCOSAMINYLAMINE (*) C01239 POSSIBLY C10H13NO2 M12000 POSSIBLY C42H80NO7P, Na ADDUCT M00052 PRO-HYDROXY-PRO (*) M00031 PROPIONYLCARNITINE (*) C03017 SPERMINE C00750 STEARAMIDE (*) C13846 STEAROYLCARNITINE (*) M12005 STEAROYLGLYCEROPHOSPHOCHOLINE (*) M12014 THIAMINE MONOPHOSPHATE C01081 THYMIDINE-5`-DIPHOSPHO-ALPHA-D-GLUCOSE C00842 TIGLYL CARNITINE (*) M00005 METABOLITES_END #END