Validation Log 2026-07-05 08:24:21.814048 mwtab Python Library Version: 2.1.1 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN008313/mwtab/txt Study ID: ST004905 Analysis ID: AN008313 File format: txt Status: Contains Validation Issues Number of Issues: 26 Number of Warnings: 22 Number of Value Errors: 21 Number of Consistency Errors: 2 Number of Format Errors: 1 Issue Log: Error: Unknown or invalid subsection, "PUBLICATION_DOI", in the "PROJECT" section . Error: The value, "40°C-50°C", for the subsection, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Warning: SUBJECT_SAMPLE_FACTORS entry #1 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #2 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #3 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #4 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #5 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #6 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #7 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #8 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #9 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #10 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #11 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Warning: SUBJECT_SAMPLE_FACTORS entry #12 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME(Raw_file_name)" Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "10-(2-(Diethylamino)propyl)-10H-pyrido(3_2-b)(1_4)benzothiazine" "1_1_1_2_2-Pentafluoro-7-phenylheptan-3-one" "11_12-Dimethylrosmanol" "11_15-Epoxy-3(20)-phytene-1_2-diol" "1_1_1-Trifluoro-3-hydroxypropan-2-one" "1_1_5-trimethyl-1_2-dihydronaphthalene" "1-(1-benzoylpiperidin-4-yl)-5-methyl-1H-1_2_3-benzotriazole" "11beta_17beta-Dihydroxy-4-androsten-3-one" "1_1-Dichloroheptane" "11Z_14Z_17Z_20Z_23Z-hexacosapentaenoic acid" "(11Z_14Z)-Eicosadienoylcarnitine" "12_13-Deoxyroridin E" "1_2_3_4-Tetrahydroisoquinoline-3-carboxylic acid" "1_2_3-Benzotriazine" "(1_2_3-Trimethyl-2-cyclopropen-1-yl)benzene" "1_2_4_5-Tetramethoxybenzene" "1_2_4_6-Tetrathiepane" "1_2_4-Nonadecanetriol" "1_2_5_6-Tetrahydro-4H-pyrrolo[3_2_1-ij]quinolin-4-one" "12-acetyl-2-methylnaphtho[2_3-b]indolizine-6_11-dione" "12alpha-Methylpregna-4_9(11)-diene-3_20-dione" "1_2-Diazenedicarboxamide" "1_2-Dihexanoyl-sn-glycero-3-phosphoethanolamine" "1_2-Dihydrostilbene" "1_2-Dilauroyl-sn-glycero-3-phosphocholine" "1-(2H-1_3-benzodioxol-5-yl)-2-(quinolin-2-ylsulfanyl)ethan-1-one" "1_2-O-Isopropylidene-D-glucofuranose" "13_14-Dihydro-15-keto-20-ethyl prostaglandin f2alpha" "13_14-Dihydro PGF-1alpha" "13_14-DIHYDROPROSTAGLANDIN E1" "13_17-Epoxy-16-hydroxy macrolactin A" "1_3_2lambda~6~-Dioxathietane-2_2-dione" "1-(3_4-Dimethoxycinnamoyl)piperidine" "1_3_7-TRIMETHYLURIC ACID" "1_3-dibenzylpiperazine" "1_3-DIDEACETYLDEOXYKHIVORIN" "13Z_16Z_19Z_22Z_25Z-octacosapentaenoic acid" "14_15beta-Dihydroxyklaineanone" "14^-apo-beta-Carotenal" "1_4^-Bipiperidine-1^-carboxylic acid" "1_4-D-Gulonolactone" "1_4-Diacetoxybutane" "1_4-Diaminoanthraquinone" "1_4-Diphenethylpiperazine" "1_5-Benzothiazepine" "15-deoxy-Delta12_14-Prostaglandin A2" "1_5-Dihydroxy-2_3-dimethoxy-10-methyl-9-acridone" "1_5-Naphthalenediamine" "16_16-dimethyl-PGA2" "16-Butyl-3-methoxy-estra-1_3_5(10)-triene-16beta_17beta-diol" "17-(1h-Imidazol-1-yl)androsta-4_16-diene-3-one" "17beta-Hydroxy-4_17-dimethyl-4-azaandrost-5-en-3-one" "1_7-Dideacetoxy-1_7-Dioxo-3-Deacetylkhivorin" "18-Aminoabieta-8_11_13-Triene Sulfate" "1_8-Bis(4-hydroxybenzyl)-2_7-dihydroxy-4-methoxyphenanthrene" "18-Nor-4(19)_8_11_13-abietatetraene" "19-Hydroxyandrost-4-ene-3_17-dione" "1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide" "1H-1_2_4-Triazole-3-carboxamide" "(1R_2R)-trans-N-Boc-1_2-cyclohexanediamine" "1R-cis-3_3_5-Trimethylcyclohexyl ester5-oxo-L-proline" "(1^S_2^S)-Anethole glycol 2^-O-beta-D-glucopyranoside" "(1S)-7-Methoxy-1_2-dihydrocadalene" "2-(1_2-benzoxazol-3-yl)-N-[3-(2-methyl-1H-indol-1-yl)propyl]acetamide" "2_1_3-Benzoxadiazole-4-sulfonic acid_ 7-fluoro-" "2_2_2-Trifluoroethyl" "2_2^_3-Trihydroxybiphenyl" "2-(2-(5-hydroxy-1H-indol-3-yl)ethyl)isoindole-1_3-dione" "2_2_6_7-Tetramethylbicyclo[4.3.0]nona-1(9)_4-dien" "2_2^-Dithiodipyridine" "(22E)-24nor-cholesta-1_4_22-trien-3-one" "2-[3-(1_3-benzoxazol-2-yl)phenyl]-1_3-benzoxazole" "2-(3_4-diethoxyphenyl)-N-[2-(3_4-diethoxyphenyl)ethyl]acetamide" "2-(3_4-dimethoxyphenyl)-6-fluoro-4H-chromen-4-one" "(-)-2_3-Dihydro-6-methoxy-2-methyl-naphtho[1_2-b]furan-4_5-dione" "2_3-Dihydroxypropyl octanoate" "2_3-Dinor-8-iso prostaglandin F2alpha" "2_3-Phenazinediamine" "2_3-Thioepoxy Madol" "2_4_8-Eicosatrienoic acid isobutylamide" "2_4-D" "2_4-Dihydroxybutanoic acid" "24-methylene-19-norcholesta-1_3_5(10)-trien-3-ol" "2_5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one" "2_5-Diethylthiazole" "2_5-Furandicarboxylate" "2_5-Furandimethanol" "2_6_10_14-Tetramethyl-6_10_15-hexadecatriene-2_3_8_14-tetrol 8-acetate" "2_6-Dibromophenol" "2_6-Dimethylbenzenethiol" "2_6 dimethylheptanoyl carnitine" "2_6-Di-tert-butyl-4-ethylphenol" "2_6-Di-tert-butyl-4-hydroxymethylphenol" "2_6-Pyridinedicarboxylic acid" "2_7-Dihydroxy-1-(4-hydroxybenzoyl)4-methoxy-9_10-dihydrophenanthrene" "2-amino-1_3_4_5-icosanetetrol" "2-Amino-1_3_4-thiadiazole" "2-Amino-4-methoxy-6-methyl-1_3_5-triazine" "2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(E)-[(pyridin-2-yl)methylidene]amino]-1H-pyrrolo[2_3-b]quinoxaline-3-carboxamide" "2beta_3beta_4beta-Trihydroxypregnan-16-one" "2^-Deoxycytidine" "2-[(E)-2-(2-aminophenyl)ethenyl]-5_7-dimethylquinolin-8-ol" "(2E)-2-[(4-methoxyphenyl)methylidene]-9a_11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-one" "(2E_4E_8E_10E)-Heptadecatetraen-6-yn-1-yn acetate" "(2E_4E)-Hexa-2_4-dienedioylcarnitine" "(2E_5Z_7E)-Decatrienoylcarnitine" "(2E)-9a_11a-dimethyl-2-[(4-nitrophenyl)methylidene]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-one" "(2E)-9a_11a-dimethyl-2-(phenylmethylidene)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol" "(2E)-N_3-bis(2H-1_3-benzodioxol-5-yl)prop-2-enamide" "(2-Ethyl-2_4_4-trimethyl-1_3-oxazolidin-3-yl)oxidanyl" "2-Ethylhexyl 2-cyano-3_ 3-diphenylacrylate" "2-glyceryl-11_12-EET" "2H-1_4-Benzodiazepin-2-one" "2^-hydroxypyridoxol" "2^-Hydroxyzearalanol" "2-methoxyethyl 3_10-dioxo-1-azapentacyclo[11.8.0.0{2_11}.0{4_9}.0{15_20}]henicosa-2(11)_4(9)_5_7_12_14_16_18_20-nonaene-12-carboxylate" "2-Methyl-4-propyl-1_3-oxathiane" "2-methylbacteriohopane-32_33_34_35-tetrol" "2^-O-Methyladenosine" "2-Propenoic acid_ 2-(((2-methoxyphenyl)acetyl)amino)-" "(2R_3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine" "(2R_3R_4E)-2_3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine" "(2S_3R)-3-Hydroxybutane-1_2_3-tricarboxylate" "(2S_3S)-2-Hydroxytridecane-1_2_3-tricarboxylate" "2-tert-butyl-1_2_3_4-tetrahydroacridine-9-carboxylic acid" "(2Z_5Z)-2_5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopentan-1-one" "3_11-Diketofusidic acid" "3-(1_2-dihydroxypropyl)-1_6_8-trihydroxyanthracene-9_10-dione" "3-(2_4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol" "3(2^-Chlorophenyl)-7-hydroxy-4-phenylcoumarin" "3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2H-1_3-benzodioxole-5-carboxylate" "3-(3_4_5-Trimethoxyphenyl)propanoic acid" "3-(3_4-dihydroxyphenyl)propyl palmitate" "[3-(3_4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]N_N-dimethylcarbamate" "3-(3_4-dimethoxyphenyl)-7-[2-(piperidin-1-yl)ethoxy]-4H-chromen-4-one" "3-[(3aS_4S_7aS)-7a-Methyl-1_5-dioxo-octahydro-1H-inden-4-yl]propanoate" "3_3-Difluoro-5alpha-androstan-17beta-yl acetate" "3^_4^_5_6_7-Pentahydroxyflavone" "3_4_5-Trihydroxypentanoylcarnitine" "3_4_5-Trimethoxy-3^_4^-dithoxybibenzyl 3^-O-glucoside" "3_4_5-TRIMETHOXYBENZOIC ACID" "3_4_5-Trimethoxycinnamic acid" "3_4-Diethylthiophene" "3_4-Dihydroxyphenylpyruvic acid" "3_4-dimethylidenehexanedioylcarnitine" "3_5_7_4^-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone" "3_6-Dihydrochamazulene" "3_6-dihydroxy-9H-xanthen-9-one" "3_6-Dihydroxydecanoylcarnitine" "3_7-Epoxycaryophyllan-6-Ol" "(3_8)-Decadienoylcarnitine" "3-Acetyl-2_5-dimethylfuran" "3-Acetyl-2_5-dimethylthiophene" "3alpha_11beta_21-trihydroxy-5beta-pregnan-20-one" "3alpha_7alpha-Dihydroxy-12-oxo-5beta-cholanate" "3alpha-Hydroxy-3_5-dihydromonacolin L acid" "3^^-Aminoacetophenone" "3beta_23_28-Trihydroxy-12-oleanene 23-caffeate" "3beta_23-Dihydroxy-30-nor-olean-12_20-dien-28-oic acid" "3beta_26-dihydroxy-5-cholesten-7-one" "3beta_5alpha_6beta-Cholestanetriol" "3beta-Hydroxy-17-(1H-imidazol-1-yl)androsta-5_16-diene" "3-Dodecyloxypropane-1_2-diol" "(3E_5E)-6_10-dimethylundeca-3_5_9-trien-2-one" "3-geranyl-2_4_6-trihydroxybenzophenone" "3-hydroxy-24_25_26_27-tetranortirucall-7-ene-23(21)-lactone" "3-Hydroxynona-4_6-dienoylcarnitine" "3-Hydroxytetradeca-8_10_12-trienoylcarnitine" "3-methyl-1-oxo-N-(quinoxalin-6-yl)-3_4-dihydro-1H-2-benzopyran-3-carboxamide" "3^-O-Methylguanosine" "(3R)-3_18-dihydroxyoctadecanoic acid" "(3R)-3_21-dihydroxyhenicosanoic acid" "(3S_5R_6S)-5_6-Epoxy-5_6-dihydro-3-hydroxy-8^-apo-beta_psi-carotenal" "3^-thiacytidine" "3-[(Z)-heptadec-10-enyl]benzene-1_2-diol" "4-(1_2-Dihydroxyethyl)benzene-1_2-diol" "4-[(2_4-Dihydroxy-3_3-dimethylbutanoyl)amino]butanoic acid" "4-(2_5-Diethoxy-4-nitrophenyl)morpholine" "4_4^_alpha-Trihydroxy-2^-methoxydihydrochalcone" "4_4^-Methylenebis(2_6-di-tert-butylphenol)" "4-(5-{1-[(4-fluorophenyl)methyl]piperidin-3-yl}-1_2_4-oxadiazol-3-yl)pyridine" "4_6-O-Ethylidene-alpha-D-glucose" "4_7_13_16_21_24-Hexaoxa-1_10-diazabicyclo[8.8.8]hexacosane" "4-Chloro-3_5-dimethoxybenzaldehyde" "4E_14Z-Sphingadiene" "(4^E_1S_6S_7R_10S_6^S_7^R)-aspergilloid A" "4H-thieno[3_2-b]pyrrole-5-carboxylic acid" "4^-Methoxy-7-O-[(E)-3-methyl-7-hydroxymethyl-2_6-octadienyl]isoflavone" "4-O-(beta-L-arabinofuranosyl)-(2S_4S)-4-hydroxyproline" "4^-Oxonebramine" "4-Propyl-2_6-dimethoxyphenol" "(4R)-4-[(1R_4R_7R_9aS_11S_11aR)-4_7_11-trihydroxy-9a_11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-N-(prop-2-en-1-yl)pentanamide" "4Z_7Z_10Z_13Z-hexadecatetraenoic acid" "5_10-Dihydroxyfurospinulosine 1" "5-(4_5-Dihydroxypentyl)uracil" "5_6-Dihydroxyindole-2-carboxylic acid" "5_6-Dihydroxyprostaglandin F1a" "5_7-Megastigmadien-9-ol glucoside" "5_8-Dihydro-6-(4-methyl-3-pentenyl)-1_2_3_4-tetrathiocin" "5_8-dimethoxy-2_4-dimethylquinoline" "5_8-Dimethoxymaculine" "5-(8Z_11Z-Heptadecadienyl)-1_3-benzenediol" "5alpha_17alpha-Pregn-2-en-20-yn-17-ol acetate" "5alpha_6beta_8alpha-Trihydroxy-28-norisotoonafolin" "5alpha-Pregnane-3_20-dione" "5beta-Androstane-3_17-dione" "5^-Dehydroadenosine" "5^-Deoxy-5-fluorocytidine" "5-(Hexahydro-2-oxo-1H-thieno[3_4-D]imidazol-6-YL)pentanal" "5-Hydroxy-4-methoxy-3-methyl-2_6-canthinedione" "[(5-methyl-1_3-dithiolan-4-ylidene)amino] N-methylcarbamate" "5-methyl-4-[(1R_6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1_3-diol" "5^-Methylthioadenosine" "5-Oxoavermectin ^^1b^^ aglycone" "(5S_6R)-Methyl 5_6_7-trihydroxyheptanoate" "5-Sulfo-1_3-benzenedicarboxylic acid" "(5Z_8Z_10E_12S_14Z)-12-Hydroxyicosa-5_8_10_14-tetraenoylcarnitine" "(5Z_9Z)-Nonadeca-5_9-dienoylcarnitine" "6_15-diketo-13_14-dihydro Prostaglandin F1alpha" "6-{2-[(3_4_7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamido}hexanoic acid" "6_7-Diketolithocholic acid" "6_7-Dimethyl-8-(1-D-ribityl)lumazine" "6_8a-Seco-6_8a-deoxy-5-oxoavermectin ^^2a^^ aglycone" "6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2^-O-acetate" "6-chloro-5_7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one" "6^-Dehydro-6^-oxoparomamine" "(6E_10E)-2_6_10-Trimethyldodeca-2_6_10-triene" "6-Hydroxy-2-(2-carboxylethyl)-2_5_7_8-tetramethylchroman" "(6Z_10Z_14Z)-Hexadeca-6_10_14-trienoylcarnitine" "(6Z_9Z)-Hexadecadienoylcarnitine" "7-(2^-Hydroxy-3^-chloroprenyloxy)-4_8-dimethoxyfuroquinoline" "7_8-Dihydrobiopterin" "7beta-1alpha-3_14-dehydro-Z-notonipetranone" "(7Z_10Z_13Z_16Z)-Docosatetraenoylcarnitine" "(7Z_9E)-Dodeca-7_9-dienoylcarnitine" "8_11_14-Eicosatrienoylethanolamide" "8-({1_4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-2H_6H-[1_3]dioxolo[4_5-g]chromen-6-one" "8-{3-[(2Z_5Z)-Octa-2_5-dien-1-yl]oxiran-2-yl}octanoylcarnitine" "8_8-Diethoxy-2_6-dimethyl-2-octanol" "8_9-DiHETrE" "8-benzyl-3-phenyl-1_4_8-triazaspiro[4.5]dec-3-ene-2-thione" "8-{[bis(2-methoxyethyl)amino]methyl}-4_7-dihydroxy-3-(2-methoxyphenyl)-2H-chromen-2-one" "8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2_3-diol" "8-Cyclopentyl-1_3-dimethylxanthine" "8-Cyclopentyl-1_3-dipropylxanthine" "8Z_11Z_14Z_17Z_20Z_23Z-hexacosahexaenoic acid" "(8Z_11Z)-3-Icosa-8_11-dienoylcarnitine" "9_10-Epoxy-13-hydroxy-11-octadecenoate" "9-(3_4-Dimethyl-5-pentylfuran-2-yl)nonanoylcarnitine" "9-Fluoro-11beta-hydroxypregna-4_16-diene-3_20-dione" "9-Methoxy-1_7-dimethylphenanthrene" "9(Z)_11(E)_13(E)-Octadecatrienoic Acid methyl ester" "(9Z_11E_13S)-13-Hydroperoxyoctadeca-9_11-dienoylcarnitine" "(9Z_11E_13Z)-Octadeca-9_11_13-trienoylcarnitine" "(9Z_12Z_15Z)-(7S_8S)-Dihydroxyoctadeca-9_12_15-trienoic acid" "Anandamide (20:l_ n-9)" "beta-D-glucopyranosyl ent-16beta_17-dihydroxykauran-19-oate" "Bicyclo[4.2.0]octa-1_3_5-triene" "cis-11_14_17-Eicosatrienoic acid" "cis-1_2-Cyclohexanediol" "cis-13_16-Docosadienoic acid" "cis-4_7_10_13_16-Docosapentaenoic acid" "cis-5_8_11_14_17-Eicosapentaenoic acid" "CPA(18:2(9Z_12Z)/0:0)" "D-Arabinono-1_4-lactone" "Deca-5_8-dienedioylcarnitine" "D-Fructofuranose 1_2^:2_3^-dianhydride" "D-Glucaro-1_4-lactone" "Dibenzo[a_j]acridine" "Diethyl 2_5-dihydroxyterephthalate" "(E)-2-Tridecene-4_6_8-triyn-1-ol" "(E)-3_7-Dimethyl-2_6-octadienyl ester 4-methyl-pentanoic acid" "(E)-4_8-Dimethyl-1_3_7-nonatriene" "(E_E)-12-Hydroxy-6_10-dimethyl-6_10-dodecadien-2-one" "ent-13E-Labdene-2alpha_3alpha_8alpha_15-tetrol" "Enterolactone 3^-sulfate" "ethyl 2-{[3-(3_4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}-2-phenylacetate" "ethyl 5-(2_2-dimethylpropanoyloxy)-2-methyl-1-benzofuran-3-carboxylate" "ethyl 6_7-dimethoxy-4-oxo-2_3-dihydro-1H-naphthalene-2-carboxylate" "glutamate_ gamma-methyl ester" "Icosa-8_11_14-trienoylcarnitine" "L-Proline_ 1-(1-L-leucyl-L-prolyl)-" "LysoPC(18:3(6Z_9Z_12Z)/0:0)" "LysoPC(20:4(5Z_8Z_11Z_14Z)/0:0)" "LysoPC(20:5(5Z_8Z_11Z_14Z_17Z)/0:0)" "LysoPC(22:4(7Z_10Z_13Z_16Z)/0:0)" "LysoPC(22:5(4Z_7Z_10Z_13Z_16Z)/0:0)" "LysoPC(22:5(7Z_10Z_13Z_16Z_19Z)/0:0)" "LysoPC(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)" "LysoPE(0:0/18:4(6Z_9Z_12Z_15Z))" "LysoPE(0:0/20:2(11Z_14Z))" "LysoPE(0:0/20:5(5Z_8Z_11Z_14Z_17Z))" "LysoPE(0:0/22:4(7Z_10Z_13Z_16Z))" "LysoPE(0:0/22:5(7Z_10Z_13Z_16Z_19Z))" "LysoPE(20:4(8Z_11Z_14Z_17Z)/0:0)" "LysoPE(24:6(6Z_9Z_12Z_15Z_18Z_21Z)/0:0)" "methyl 2-{[3-(2_4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate" "Methyl (R)-9-hydroxy-10-undecene-5_7-diynoate glucoside" "MG(0:0/18:3(6Z_9Z_12Z)/0:0)" "MG(0:0/18:4(6Z_9Z_12Z_15Z)/0:0)" "MG(0:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)" "N1_N10-Diferuloylspermidine" "N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(3_5-dimethyl-1_2-oxazol-4-yl)propanamide" "N-[2-(1H-indol-3-yl)ethyl]-5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-1_4-dihydropyridine-2-carboxamide" "N-[2-(4-ethoxyphenyl)-4-oxo-4H-chromen-6-yl]-2_2-dimethylpropanamide" "N2-(4-methoxyphenyl)-6-(morpholin-4-yl)-N4-(quinolin-6-yl)-1_3_5-triazine-2_4-diamine" "N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-{8-thia-3_5_10-triazatricyclo[7.4.0.0{2_7}]trideca-1(9)_2(7)_3_5_10_12-hexaen-6-yl}piperidine-4-carboxamide" "N6-Etheno 2^-deoxyadenosine" "N^-[(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)carboximidoyl]benzohydrazide" "N(6)_O(2)-Dimethyladenosine" "N-Acetyl-S-trans_trans-farnesyl-L-cysteine" "N-cis-11_14-eicosadienoyl ethanolamine" "N^-Formylkynurenine" "N-(Heptan-4-yl)benzo[d][1_3]dioxole-5-carboxamide" "N-Isobutyl-(2E_4E)-octadecadienamide" "N_N^-dibenzhydrylethane-1_2-diamine" "N_N^-dicyclohexyl urea" "N_N-Dimethyldodecylamine" "N_O-Didesmethylvenlafaxine" "PC(15:0/20:5(7Z_9Z_11E_13E_17Z)-3OH(5_6_15))" "PC(18:0/18:1(9Z)-O(12_13))" "PC(18:1(12Z)-2OH(9_10)/2:0)" "PC(18:2(10E_12Z)+=O(9)/2:0)" "PC(18:3(9Z_12Z_15Z)/P-16:0)" "PC(18:4(6Z_9Z_12Z_15Z)/20:4(8Z_11Z_14Z_17Z))" "PC(18:4(6Z_9Z_12Z_15Z)/TXB2)" "PC(2:0/20:3(5Z_11Z_14Z)-O(8_9))" "PC(2:0/20:5(5Z_8Z_10E_14Z_17Z)-OH(12))" "PC(20:3(6_8_11)-OH(5)/18:4(6Z_9Z_12Z_15Z))" "PC(20:3(8Z_11Z_14Z)/20:4(5Z_8Z_11Z_14Z)-OH(20))" "PC(20:3(8Z_11Z_14Z)-2OH(5_6)/14:0)" "PC(20:4(5Z_8Z_11Z_14Z)/20:4(8Z_11Z_14Z_17Z))" "PC(20:4(5Z_8Z_11Z_14Z)-OH(19S)/18:1(11Z))" "PC(20:4(6E_8Z_11Z_14Z)-OH(5S)/2:0)" "PC(20:4(6Z_8E_10E_14Z)-2OH(5S_12R)/2:0)" "PC(20:5(5Z_8Z_10E_14Z_17Z)-OH(12)/18:3(9Z_12Z_15Z))" "PC(20:5(5Z_8Z_11Z_14Z_16E)-OH(18R)/2:0)" "PC(20:5(5Z_8Z_11Z_14Z_17Z)/20:4(5Z_8Z_11Z_14Z)-OH(20))" "PC(22:2(13Z_16Z)/LTE4)" "PC(22:4(7Z_10Z_13Z_16Z)/15:0)" "PC(22:4(7Z_10Z_13Z_16Z)/22:6(4Z_8Z_10Z_13Z_16Z_19Z)-OH(7))" "PC(DiMe(9_3)/DiMe(9_3))" "PC(MonoMe(11_3)/MonoMe(11_3))" "Pentadeca-5_12-dienoylcarnitine" "(plusmn)12_13-DiHOME" "propan-2-yl N-(6_11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate" "Pyridoxine 5^-phosphate" "(R)-2-Hydroxybutane-1_2_4-tricarboxylate" "(R)-3-Acetyl-7-hydroxy-5-methoxy-3_4-dimethylisobenzofuran-1(3H)-one" "Ricinoleic acid_ methyl ester" "(R_R)-(+)-Hydrobenzoin" "S-[(2E_6E)-3_7_11-Trimethyl-2_6_10-dodecatrien-1-yl]-L-cysteine" "S-(2-(N_N-Diisopropylamino)ethyl)isothiourea" "SM(d18:2(4E_14Z)/PGD2)" "(S_S)-traseolide" "Tetradeca-2_4_6-trienoylcarnitine" "Tetrahydrothiophene-3-ol 1_1-dioxide" "TG(18:2(9Z_12Z)/16:0/18:2(9Z_12Z))" "TG(20:3n6/O-18:0/18:3(9Z_12Z_15Z))" "Thymidine 3^_5^-cyclic monophosphate" "Thymidine-3^_5^-cyclic monophosphate" "trans-1_2-Diphenylcyclobutane" "trans-3_4-Dihydro-3_4-dihydroxy-7_12-dimethylbenz[a]anthracene" "trans-3_5-Dimethoxystilbene" "trans-Pentadec-10-en-6_8-diynoic acid" "Velloquercetin 4^-methyl ether" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "10-(2-(Diethylamino)propyl)-10H-pyrido(3,2-b)(1,4)benzothiazine" "1,1,1,2,2-Pentafluoro-7-phenylheptan-3-one" "11,12-Dimethylrosmanol" "11,15-Epoxy-3(20)-phytene-1,2-diol" "1,1,1-Trifluoro-3-hydroxypropan-2-one" "1,1,5-trimethyl-1,2-dihydronaphthalene" "1-(1-benzoylpiperidin-4-yl)-5-methyl-1H-1,2,3-benzotriazole" "11beta,17beta-Dihydroxy-4-androsten-3-one" "1,1-Dichloroheptane" "11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid" "(11Z,14Z)-Eicosadienoylcarnitine" "12,13-Deoxyroridin E" "1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid" "1,2,3-Benzotriazine" "(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene" "1,2,4,5-Tetramethoxybenzene" "1,2,4,6-Tetrathiepane" "1,2,4-Nonadecanetriol" "1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one" "12-acetyl-2-methylnaphtho[2,3-b]indolizine-6,11-dione" "12alpha-Methylpregna-4,9(11)-diene-3,20-dione" "1,2-Diazenedicarboxamide" "1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamine" "1,2-Dihydrostilbene" "1,2-Dilauroyl-sn-glycero-3-phosphocholine" "1-(2H-1,3-benzodioxol-5-yl)-2-(quinolin-2-ylsulfanyl)ethan-1-one" "1,2-O-Isopropylidene-D-glucofuranose" "13,14-Dihydro-15-keto-20-ethyl prostaglandin f2alpha" "13,14-Dihydro PGF-1alpha" "13,14-DIHYDROPROSTAGLANDIN E1" "13,17-Epoxy-16-hydroxy macrolactin A" "1,3,2lambda~6~-Dioxathietane-2,2-dione" "1-(3,4-Dimethoxycinnamoyl)piperidine" "1,3,7-TRIMETHYLURIC ACID" "1,3-dibenzylpiperazine" "1,3-DIDEACETYLDEOXYKHIVORIN" "13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid" "14,15beta-Dihydroxyklaineanone" "14'-apo-beta-Carotenal" "1,4'-Bipiperidine-1'-carboxylic acid" "1,4-D-Gulonolactone" "1,4-Diacetoxybutane" "1,4-Diaminoanthraquinone" "1,4-Diphenethylpiperazine" "1,5-Benzothiazepine" "15-deoxy-Delta12,14-Prostaglandin A2" "1,5-Dihydroxy-2,3-dimethoxy-10-methyl-9-acridone" "1,5-Naphthalenediamine" "16,16-dimethyl-PGA2" "16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol" "17-(1h-Imidazol-1-yl)androsta-4,16-diene-3-one" "17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one" "1,7-Dideacetoxy-1,7-Dioxo-3-Deacetylkhivorin" "18-Aminoabieta-8,11,13-Triene Sulfate" "1,8-Bis(4-hydroxybenzyl)-2,7-dihydroxy-4-methoxyphenanthrene" "18-Nor-4(19),8,11,13-abietatetraene" "19-Hydroxyandrost-4-ene-3,17-dione" "1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide" "1H-1,2,4-Triazole-3-carboxamide" "(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine" "1R-cis-3,3,5-Trimethylcyclohexyl ester5-oxo-L-proline" "(1'S,2'S)-Anethole glycol 2'-O-beta-D-glucopyranoside" "(1S)-7-Methoxy-1,2-dihydrocadalene" "2-(1,2-benzoxazol-3-yl)-N-[3-(2-methyl-1H-indol-1-yl)propyl]acetamide" "2,1,3-Benzoxadiazole-4-sulfonic acid, 7-fluoro-" "2,2,2-Trifluoroethyl" "2,2',3-Trihydroxybiphenyl" "2-(2-(5-hydroxy-1H-indol-3-yl)ethyl)isoindole-1,3-dione" "2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien" "2,2'-Dithiodipyridine" "(22E)-24nor-cholesta-1,4,22-trien-3-one" "2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole" "2-(3,4-diethoxyphenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide" "2-(3,4-dimethoxyphenyl)-6-fluoro-4H-chromen-4-one" "(-)-2,3-Dihydro-6-methoxy-2-methyl-naphtho[1,2-b]furan-4,5-dione" "2,3-Dihydroxypropyl octanoate" "2,3-Dinor-8-iso prostaglandin F2alpha" "2,3-Phenazinediamine" "2,3-Thioepoxy Madol" "2,4,8-Eicosatrienoic acid isobutylamide" "2,4-D" "2,4-Dihydroxybutanoic acid" "24-methylene-19-norcholesta-1,3,5(10)-trien-3-ol" "2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one" "2,5-Diethylthiazole" "2,5-Furandicarboxylate" "2,5-Furandimethanol" "2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate" "2,6-Dibromophenol" "2,6-Dimethylbenzenethiol" "2,6 dimethylheptanoyl carnitine" "2,6-Di-tert-butyl-4-ethylphenol" "2,6-Di-tert-butyl-4-hydroxymethylphenol" "2,6-Pyridinedicarboxylic acid" "2,7-Dihydroxy-1-(4-hydroxybenzoyl)4-methoxy-9,10-dihydrophenanthrene" "2-amino-1,3,4,5-icosanetetrol" "2-Amino-1,3,4-thiadiazole" "2-Amino-4-methoxy-6-methyl-1,3,5-triazine" "2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[(E)-[(pyridin-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide" "2beta,3beta,4beta-Trihydroxypregnan-16-one" "2'-Deoxycytidine" "2-[(E)-2-(2-aminophenyl)ethenyl]-5,7-dimethylquinolin-8-ol" "(2E)-2-[(4-methoxyphenyl)methylidene]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-one" "(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate" "(2E,4E)-Hexa-2,4-dienedioylcarnitine" "(2E,5Z,7E)-Decatrienoylcarnitine" "(2E)-9a,11a-dimethyl-2-[(4-nitrophenyl)methylidene]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-one" "(2E)-9a,11a-dimethyl-2-(phenylmethylidene)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol" "(2E)-N,3-bis(2H-1,3-benzodioxol-5-yl)prop-2-enamide" "(2-Ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl)oxidanyl" "2-Ethylhexyl 2-cyano-3, 3-diphenylacrylate" "2-glyceryl-11,12-EET" "2H-1,4-Benzodiazepin-2-one" "2'-hydroxypyridoxol" "2'-Hydroxyzearalanol" "2-methoxyethyl 3,10-dioxo-1-azapentacyclo[11.8.0.0{2,11}.0{4,9}.0{15,20}]henicosa-2(11),4(9),5,7,12,14,16,18,20-nonaene-12-carboxylate" "2-Methyl-4-propyl-1,3-oxathiane" "2-methylbacteriohopane-32,33,34,35-tetrol" "2'-O-Methyladenosine" "2-Propenoic acid, 2-(((2-methoxyphenyl)acetyl)amino)-" "(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine" "(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine" "(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate" "(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate" "2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid" "(2Z,5Z)-2,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopentan-1-one" "3,11-Diketofusidic acid" "3-(1,2-dihydroxypropyl)-1,6,8-trihydroxyanthracene-9,10-dione" "3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol" "3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin" "3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2H-1,3-benzodioxole-5-carboxylate" "3-(3,4,5-Trimethoxyphenyl)propanoic acid" "3-(3,4-dihydroxyphenyl)propyl palmitate" "[3-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]N,N-dimethylcarbamate" "3-(3,4-dimethoxyphenyl)-7-[2-(piperidin-1-yl)ethoxy]-4H-chromen-4-one" "3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate" "3',4',5,6,7-Pentahydroxyflavone" "3,4,5-Trihydroxypentanoylcarnitine" "3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside" "3,4,5-TRIMETHOXYBENZOIC ACID" "3,4,5-Trimethoxycinnamic acid" "3,4-Diethylthiophene" "3,4-Dihydroxyphenylpyruvic acid" "3,4-dimethylidenehexanedioylcarnitine" "3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone" "3,6-Dihydrochamazulene" "3,6-dihydroxy-9H-xanthen-9-one" "3,6-Dihydroxydecanoylcarnitine" "3,7-Epoxycaryophyllan-6-Ol" "(3,8)-Decadienoylcarnitine" "3-Acetyl-2,5-dimethylfuran" "3-Acetyl-2,5-dimethylthiophene" "3alpha,11beta,21-trihydroxy-5beta-pregnan-20-one" "3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate" "3alpha-Hydroxy-3,5-dihydromonacolin L acid" "3''-Aminoacetophenone" "3beta,23,28-Trihydroxy-12-oleanene 23-caffeate" "3beta,23-Dihydroxy-30-nor-olean-12,20-dien-28-oic acid" "3beta,26-dihydroxy-5-cholesten-7-one" "3beta,5alpha,6beta-Cholestanetriol" "3beta-Hydroxy-17-(1H-imidazol-1-yl)androsta-5,16-diene" "3-Dodecyloxypropane-1,2-diol" "(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one" "3-geranyl-2,4,6-trihydroxybenzophenone" "3-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone" "3-Hydroxynona-4,6-dienoylcarnitine" "3-Hydroxytetradeca-8,10,12-trienoylcarnitine" "3-methyl-1-oxo-N-(quinoxalin-6-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide" "3'-O-Methylguanosine" "(3R)-3,18-dihydroxyoctadecanoic acid" "(3R)-3,21-dihydroxyhenicosanoic acid" "(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal" "3'-thiacytidine" "3-[(Z)-heptadec-10-enyl]benzene-1,2-diol" "4-(1,2-Dihydroxyethyl)benzene-1,2-diol" "4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid" "4-(2,5-Diethoxy-4-nitrophenyl)morpholine" "4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone" "4,4'-Methylenebis(2,6-di-tert-butylphenol)" "4-(5-{1-[(4-fluorophenyl)methyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine" "4,6-O-Ethylidene-alpha-D-glucose" "4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane" "4-Chloro-3,5-dimethoxybenzaldehyde" "4E,14Z-Sphingadiene" "(4'E,1S,6S,7R,10S,6'S,7'R)-aspergilloid A" "4H-thieno[3,2-b]pyrrole-5-carboxylic acid" "4'-Methoxy-7-O-[(E)-3-methyl-7-hydroxymethyl-2,6-octadienyl]isoflavone" "4-O-(beta-L-arabinofuranosyl)-(2S,4S)-4-hydroxyproline" "4'-Oxonebramine" "4-Propyl-2,6-dimethoxyphenol" "(4R)-4-[(1R,4R,7R,9aS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-N-(prop-2-en-1-yl)pentanamide" "4Z,7Z,10Z,13Z-hexadecatetraenoic acid" "5,10-Dihydroxyfurospinulosine 1" "5-(4,5-Dihydroxypentyl)uracil" "5,6-Dihydroxyindole-2-carboxylic acid" "5,6-Dihydroxyprostaglandin F1a" "5,7-Megastigmadien-9-ol glucoside" "5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin" "5,8-dimethoxy-2,4-dimethylquinoline" "5,8-Dimethoxymaculine" "5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol" "5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate" "5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin" "5alpha-Pregnane-3,20-dione" "5beta-Androstane-3,17-dione" "5'-Dehydroadenosine" "5'-Deoxy-5-fluorocytidine" "5-(Hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-YL)pentanal" "5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione" "[(5-methyl-1,3-dithiolan-4-ylidene)amino] N-methylcarbamate" "5-methyl-4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol" "5'-Methylthioadenosine" "5-Oxoavermectin ''1b'' aglycone" "(5S,6R)-Methyl 5,6,7-trihydroxyheptanoate" "5-Sulfo-1,3-benzenedicarboxylic acid" "(5Z,8Z,10E,12S,14Z)-12-Hydroxyicosa-5,8,10,14-tetraenoylcarnitine" "(5Z,9Z)-Nonadeca-5,9-dienoylcarnitine" "6,15-diketo-13,14-dihydro Prostaglandin F1alpha" "6-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamido}hexanoic acid" "6,7-Diketolithocholic acid" "6,7-Dimethyl-8-(1-D-ribityl)lumazine" "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone" "6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate" "6-chloro-5,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one" "6'-Dehydro-6'-oxoparomamine" "(6E,10E)-2,6,10-Trimethyldodeca-2,6,10-triene" "6-Hydroxy-2-(2-carboxylethyl)-2,5,7,8-tetramethylchroman" "(6Z,10Z,14Z)-Hexadeca-6,10,14-trienoylcarnitine" "(6Z,9Z)-Hexadecadienoylcarnitine" "7-(2'-Hydroxy-3'-chloroprenyloxy)-4,8-dimethoxyfuroquinoline" "7,8-Dihydrobiopterin" "7beta-1alpha-3,14-dehydro-Z-notonipetranone" "(7Z,10Z,13Z,16Z)-Docosatetraenoylcarnitine" "(7Z,9E)-Dodeca-7,9-dienoylcarnitine" "8,11,14-Eicosatrienoylethanolamide" "8-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)-2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one" "8-{3-[(2Z,5Z)-Octa-2,5-dien-1-yl]oxiran-2-yl}octanoylcarnitine" "8,8-Diethoxy-2,6-dimethyl-2-octanol" "8,9-DiHETrE" "8-benzyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione" "8-{[bis(2-methoxyethyl)amino]methyl}-4,7-dihydroxy-3-(2-methoxyphenyl)-2H-chromen-2-one" "8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3-diol" "8-Cyclopentyl-1,3-dimethylxanthine" "8-Cyclopentyl-1,3-dipropylxanthine" "8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid" "(8Z,11Z)-3-Icosa-8,11-dienoylcarnitine" "9,10-Epoxy-13-hydroxy-11-octadecenoate" "9-(3,4-Dimethyl-5-pentylfuran-2-yl)nonanoylcarnitine" "9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione" "9-Methoxy-1,7-dimethylphenanthrene" "9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester" "(9Z,11E,13S)-13-Hydroperoxyoctadeca-9,11-dienoylcarnitine" "(9Z,11E,13Z)-Octadeca-9,11,13-trienoylcarnitine" "(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid" "Anandamide (20:l, n-9)" "beta-D-glucopyranosyl ent-16beta,17-dihydroxykauran-19-oate" "Bicyclo[4.2.0]octa-1,3,5-triene" "cis-11,14,17-Eicosatrienoic acid" "cis-1,2-Cyclohexanediol" "cis-13,16-Docosadienoic acid" "cis-4,7,10,13,16-Docosapentaenoic acid" "cis-5,8,11,14,17-Eicosapentaenoic acid" "CPA(18:2(9Z,12Z)/0:0)" "D-Arabinono-1,4-lactone" "Deca-5,8-dienedioylcarnitine" "D-Fructofuranose 1,2':2,3'-dianhydride" "D-Glucaro-1,4-lactone" "Dibenzo[a,j]acridine" "Diethyl 2,5-dihydroxyterephthalate" "(E)-2-Tridecene-4,6,8-triyn-1-ol" "(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid" "(E)-4,8-Dimethyl-1,3,7-nonatriene" "(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one" "ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol" "Enterolactone 3'-sulfate" "ethyl 2-{[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}-2-phenylacetate" "ethyl 5-(2,2-dimethylpropanoyloxy)-2-methyl-1-benzofuran-3-carboxylate" "ethyl 6,7-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate" "glutamate, gamma-methyl ester" "Icosa-8,11,14-trienoylcarnitine" "L-Proline, 1-(1-L-leucyl-L-prolyl)-" "LysoPC(18:3(6Z,9Z,12Z)/0:0)" "LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)" "LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)" "LysoPC(22:4(7Z,10Z,13Z,16Z)/0:0)" "LysoPC(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)" "LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)" "LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)" "LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))" "LysoPE(0:0/20:2(11Z,14Z))" "LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))" "LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))" "LysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z))" "LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)" "LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)" "methyl 2-{[3-(2,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate" "Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside" "MG(0:0/18:3(6Z,9Z,12Z)/0:0)" "MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)" "MG(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)" "N1,N10-Diferuloylspermidine" "N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide" "N-[2-(1H-indol-3-yl)ethyl]-5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide" "N-[2-(4-ethoxyphenyl)-4-oxo-4H-chromen-6-yl]-2,2-dimethylpropanamide" "N2-(4-methoxyphenyl)-6-(morpholin-4-yl)-N4-(quinolin-6-yl)-1,3,5-triazine-2,4-diamine" "N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-{8-thia-3,5,10-triazatricyclo[7.4.0.0{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}piperidine-4-carboxamide" "N6-Etheno 2'-deoxyadenosine" "N'-[(6-hexyl-7-hydroxy-2-oxo-2H-chromen-3-yl)carboximidoyl]benzohydrazide" "N(6),O(2)-Dimethyladenosine" "N-Acetyl-S-trans,trans-farnesyl-L-cysteine" "N-cis-11,14-eicosadienoyl ethanolamine" "N'-Formylkynurenine" "N-(Heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide" "N-Isobutyl-(2E,4E)-octadecadienamide" "N,N'-dibenzhydrylethane-1,2-diamine" "N,N'-dicyclohexyl urea" "N,N-Dimethyldodecylamine" "N,O-Didesmethylvenlafaxine" "PC(15:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))" "PC(18:0/18:1(9Z)-O(12,13))" "PC(18:1(12Z)-2OH(9,10)/2:0)" "PC(18:2(10E,12Z)+=O(9)/2:0)" "PC(18:3(9Z,12Z,15Z)/P-16:0)" "PC(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))" "PC(18:4(6Z,9Z,12Z,15Z)/TXB2)" "PC(2:0/20:3(5Z,11Z,14Z)-O(8,9))" "PC(2:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12))" "PC(20:3(6,8,11)-OH(5)/18:4(6Z,9Z,12Z,15Z))" "PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))" "PC(20:3(8Z,11Z,14Z)-2OH(5,6)/14:0)" "PC(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))" "PC(20:4(5Z,8Z,11Z,14Z)-OH(19S)/18:1(11Z))" "PC(20:4(6E,8Z,11Z,14Z)-OH(5S)/2:0)" "PC(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0)" "PC(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/18:3(9Z,12Z,15Z))" "PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/2:0)" "PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))" "PC(22:2(13Z,16Z)/LTE4)" "PC(22:4(7Z,10Z,13Z,16Z)/15:0)" "PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))" "PC(DiMe(9,3)/DiMe(9,3))" "PC(MonoMe(11,3)/MonoMe(11,3))" "Pentadeca-5,12-dienoylcarnitine" "(plusmn)12,13-DiHOME" "propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate" "Pyridoxine 5'-phosphate" "(R)-2-Hydroxybutane-1,2,4-tricarboxylate" "(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one" "Ricinoleic acid, methyl ester" "(R,R)-(+)-Hydrobenzoin" "S-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteine" "S-(2-(N,N-Diisopropylamino)ethyl)isothiourea" "SM(d18:2(4E,14Z)/PGD2)" "(S,S)-traseolide" "Tetradeca-2,4,6-trienoylcarnitine" "Tetrahydrothiophene-3-ol 1,1-dioxide" "TG(18:2(9Z,12Z)/16:0/18:2(9Z,12Z))" "TG(20:3n6/O-18:0/18:3(9Z,12Z,15Z))" "Thymidine 3',5'-cyclic monophosphate" "Thymidine-3',5'-cyclic monophosphate" "trans-1,2-Diphenylcyclobutane" "trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene" "trans-3,5-Dimethoxystilbene" "trans-Pentadec-10-en-6,8-diynoic acid" "Velloquercetin 4'-methyl ether" Warning: The "refmet_name" column at position 2 in the METABOLITES table, matches a standard column name, "name". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "kegg_id" column at position 5 in the METABOLITES table, matches a standard column name, "kegg_id", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 17 map00140 18 map00140 19 map00140 20 map00140 21 map00590;map01100;map04726 57 map00590;map01100 61 map00232;map01120 68 map00592;map01100;map01110 91 map00073;map01100 97 map00140;map01100;map01522;map04081;map04714;m... 109 map00140;map01100 125 map00380;map01100 131 map00760;map01100 132 map00340;map01100 136 map00626;map01120;map01220 137 map00980 159 map00380;map01100 161 map00621;map01100;map01120;map01220 172 map00590 183 map00361;map01120;map01220 188 map00740;map00790;map01100;map01110;map01240 190 map00365;map01120 191 map00365;map01120 196 map00364;map01120;map01220 203 map00120;map01066;map04148;map04979 212 map00440;map01100 215 map00440;map01100;map01120;map02010 225 map00240;map01100;map01232;map02010 253 map00360;map01100 264 map00140 273 map00626;map01120;map01220;map07114 281 map00230;map01100;map01120 285 map00360;map00643;map01100;map01120 291 map00300;map01100;map01120 295 map00640;map01100;map01120;map01200 306 map00360;map00624;map00999;map01100;map01120 316 map00984;map01100;map01120;map01220 325 map00350;map01100 335 map00140 337 map00997;map01100;map01110 349 map00120 350 map00982 364 map00750 385 map00380 387 map00380 389 map00380 408 map00010;map00030;map00260;map00270;map00561;m... 413 map00903;map01120;map01220 422 map00350;map01100 437 map00240;map01100 439 map05204;map05208 451 map00330;map01100 452 map00330;map01100 453 map00330;map01100 459 map00380;map01100 462 map00363;map00623;map00627;map01061;map01100;m... 468 map00330;map01100 470 map00330;map00470;map01100;map02010 474 map00980;map05204 487 map00524;map01110 498 map07040 500 map00350;map01100 508 map00232;map01100;map01110 511 map00140;map01100;map05200;map05215 514 map00140;map01100 515 map00230;map01100 517 map00140 520 map00983 528 map00310;map01100 540 map00270;map00908;map01060;map01100 542 map00522;map01100;map01110 543 map00903 551 map00740;map01100;map01110;map01240 552 map00522 557 map00790;map01100;map01240 559 map00524;map01110 573 map00930;map01120;map01220 576 map00590;map01100 577 map00983 579 map00983 584 map00790;map01100;map01240 600 map00590;map01100;map04726 613 map00590 619 map00591 625 map00980;map05204 631 map00591 646 map04931 647 map00983 648 map00960 657 map00230;map00908;map01100;map01110;map01232 668 map00901;map01100;map01110 676 map00140;map01100;map04925;map04960;map07225 682 map00830;map01100 689 map07015 691 map00290;map00620;map01100;map01110;map01210;m... 693 map00592;map01040;map01060;map01070;map01100;m... 694 map00360 700 map00930;map01100;map01120 703 map00791;map01120 714 map00140;map00984;map01100;map01120;map01522;m... 715 map00940;map01110 717 map00950 726 map00590;map00591;map01040;map01100;map04216;m... 731 map00010;map02060 740 map00220;map00250;map01100;map01110;map01230 776 map07117 792 map00998;map01100;map01110 797 map00522 804 map00240;map01100 811 map00362;map00621;map00623;map00627;map00996;m... 814 map00627;map01120 823 map00410;map01100 829 map00260;map00670;map01100;map02010;map04981 833 map00100;map01060;map01062;map01100;map01110 836 map00860;map01100;map01110;map04976 837 map00860;map01100;map01110 839 map00780 840 map00621;map01100;map01120;map01220 848 map00905;map01060;map01062;map01070;map01100;m... 869 map00100;map01100;map01110;map04928;map05152 871 map00100;map01100;map04928;map04961;map04978;m... 900 map00340;map00410;map01100 930 map00100;map00120;map00140;map00981;map00984;m... 931 map00260;map00552;map00564;map00670;map01100;m... 932 map00130;map00400;map00405;map00790;map00996;m... 943 map01060;map01110 947 map01040 948 map01040 950 map01040 952 map01040 964 map00592;map01110 967 map00940;map01110 978 map00140;map01100;map04923;map04925;map05020 979 map00140;map01100;map04960;map05200;map05215;m... 980 map00980;map05204 989 map00260;map00330;map01100 992 map00591;map01060 994 map00981 999 map00996;map01062;map01110 1002 map00622;map01100;map01120;map01220 1024 map00480;map01100 1026 map00240;map01100;map01232;map02010 1030 map00240;map01100;map01232 1032 map00998;map01100;map01110 1033 map00053;map01100 1044 map00791;map01120 1049 map00140;map00984;map01100;map01120;map04913;m... 1054 map00999;map01100;map01110 1056 map00130;map01100;map01110 1062 map00310;map01100;map02010 1064 map00140;map01100;map04925 1087 map00460;map01100;map01110 1089 map00621;map01100;map01120;map01220 1121 map00906 1123 map00010;map00040;map00051;map00052;map00561;m... 1125 map00908;map01110 1129 map07227 1132 map05208 1148 map00562;map01100;map04070 1153 map00061;map00333;map01100;map01110 1161 map00052;map01100 1182 map00982;map01522 1190 map00941;map01110 1196 map01052 1202 map00946;map01100 1204 map00340;map01100 1206 map00941;map00946;map01100;map01110 1242 map00900;map00909;map00981;map01110 1248 map00940;map00996;map01061;map01100;map01110 1282 map00270;map01100 1283 map00460 1286 map00330;map01100 1292 map00680;map01100;map01240 1293 map00591;map01040;map01100 1296 map00130;map01100;map01110 1304 map05207 1306 map00902;map01110 1313 map00904;map01062;map01110 1315 map00999;map01110 1349 map00999;map01110 1355 map00260;map00330;map01100 1369 map00592 1396 map00340;map01065;map01100;map01110;map04080;m... 1397 map00340;map01100;map01110;map01230 1419 map00340 1420 map00360;map01100;map01120;map01220 1421 map00140;map01100;map04080;map04927;map04934;m... 1425 map00260;map01100;map01120 1434 map01040 1437 map00982 1448 map00340;map01100;map01110;map01230 1455 map00380;map00400;map00402;map00999;map01100;m... 1475 map00020;map00630;map00720;map01060;map01061;m... 1485 map00983 1486 map00900;map00997;map00998;map01060;map01062;m... 1498 map01066 1536 map00220;map00261;map00330;map00331;map00470;m... 1537 map00250;map00460;map00970;map01060;map01100;m... 1543 map04714;map04976;map05415 1544 map00270;map00430;map01100;map04080 1562 map00590;map01100;map04080;map04664 1573 map00220;map00230;map00240;map00250;map00470;m... 1575 map00340;map00404;map00410;map00470;map00970;m... 1576 map00340;map01100 1579 map00982 1583 map00460;map01100;map01110 1584 map00470 1587 map00591;map01040;map01060;map01100 1593 map00941;map00943;map01061;map01100;map01110 1594 map00280;map00290;map00460;map00960;map00966;m... 1598 map00380;map01100;map01240;map05143 1599 map00280;map00290;map00966;map00970;map01060;m... 1601 map00300;map00310;map00470;map00780;map00960;m... 1602 map00040 1603 map00270;map00470;map00670;map00966;map00970;m... 1604 map00960;map01064;map01110 1614 map00220;map00330;map00470;map00480;map00997;m... 1622 map00360;map00400;map00460;map00470;map00940;m... 1623 map00310;map00960;map01060;map01064;map01100;m... 1624 map00330;map00332;map00333;map00401;map00404;m... 1626 map00300;map00970;map01100;map01120;map04974 1627 map00051;map01100;map01120 1628 map00051;map01100;map01120 1632 map00350;map01100;map04080;map04081;map04918;m... 1633 map00260;map00380;map00400;map00404;map00901;m... 1636 map00740 1637 map00040;map01100 1646 map00564;map04148;map05231 1647 map00564;map04148;map05231 1648 map00564;map04148;map05231 1650 map00564;map04148;map05231 1651 map00564;map04148;map05231 1652 map00564;map04148;map05231 1653 map00564;map04148;map05231 1654 map00564;map04148;map05231 1655 map00564;map04148;map05231 1656 map00564;map04148;map05231 1657 map00565;map01100 1658 map00564;map04148;map05231 1704 map00130;map01100;map01110;map01240;map02020;m... 1772 map00053;map01100 1822 map00052;map00520;map01100;map01250;map02060 1825 map00520;map01100;map01250;map02060 1826 map00220;map01100;map01110;map01210;map01230 1836 map00626;map00980;map01100;map01120;map01220;m... 1849 map00982 1863 map00380;map01100 1870 map00760;map01100;map01240;map04212;map04977 1872 map00760 1891 map00760;map01100 1896 map00564 1898 map00960 1909 map04080 1961 map00522;map01100;map01110 1962 map04024 1981 map00270;map00920;map01100;map01110;map01230 1982 map00402;map00999;map01100;map01110 1987 map00950;map01110 1992 map04080 1993 map00040;map00053;map01100;map01240;map04976 1995 map00770 2015 map00564;map00590;map00591;map00592;map01100;m... 2032 map00623;map00633;map01100;map01120;map01220;m... 2062 map00405;map01100;map01110 2065 map00360;map00643;map01100;map01120 2072 map00627;map01120 2078 map05200;map05204;map05208;map05215 2082 map00563;map00564;map00600;map01100;map01503;m... 2083 map00350 2085 map00999 2112 map04080 2118 map04080 2128 map00140;map01100;map04080;map04114;map04913;m... 2152 map00590;map01100;map04080;map04664;map04726;m... 2153 map00590;map01100;map04726 2159 map00240;map01100 2172 map00750;map01100;map01240 2174 map00380;map01100 2177 map01063;map04742;map04976 2182 map00300;map00620;map01100;map01110;map01120;m... 2194 map04148 2195 map00830;map01100;map01240;map04744;map04977 2196 map00830;map01100;map04659;map04672;map05200;m... 2199 map00040;map00740;map01100 2200 map00740;map01100;map01110;map01240;map02010;m... 2201 map00030;map00040;map00540;map00680;map00710;m... 2208 map00900;map01060;map01062;map01070;map01100;m... 2220 map00900;map01110 2238 map00904;map01110 2245 map00960;map01110 2272 map00564;map00565;map05231 2278 map01052 2281 map00330;map00410;map00480;map00940;map01053;m... 2282 map00600;map01100;map04071 2283 map00600;map01100;map04071;map04210;map04217 2311 map07217 2317 map00627;map01120 2322 map00627;map01120 2324 map04976 2335 map00403;map01110 2338 map00140;map00984;map01100;map01120;map01522;m... 2344 map00140 2359 map00730;map01100;map01240;map02010;map04122;m... 2372 map00240;map00670;map01100;map01232;map01523;m... 2374 map00240;map01100;map01232 2382 map00996;map01066 2388 map00980;map05204 2394 map00340;map01100 2418 map00380 2448 map00627;map00996;map01061;map01063;map01100;m... 2459 map00901;map01063;map01100;map01110 2461 map00830;map01100;map01240;map04977 2469 map00999;map01061;map01110 Warning: The "ri" column at position 8 in the METABOLITES table, matches a standard column name, "retention_index". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "ri_type" column at position 9 in the METABOLITES table, matches a standard column name, "retention_index_type". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The column pair, "ri" and "ri_type", in the METABOLITES table should have data in the same rows, but at least one row has data in one column and nothing in the other. Warning: The standard column, "other_id", was found in the METABOLITES table as "other_id". If this column contains database IDs for standard databases such as KEGG, PubChem, HMDB, etc., it is recommended to make individual columns for these and not lump them together into a less descriptive "other_id" column. Warning: The "inchi_key" column at position 4 in the METABOLITES table has all null values. Warning: The "other_id" column at position 6 in the METABOLITES table has all null values. Warning: The "other_id_type" column at position 7 in the METABOLITES table has all null values. Warning: The "ri_type" column at position 9 in the METABOLITES table has all null values.