MetStat: Summary table of metabolites most frequently reported in NMDR studies

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Refmet Name Studies Super Class Main Class Sub Class
10,11-DiHDPE 2 Fatty Acyls Docosanoids Docosanoids
10,11-Dihydroxycarbamazepine 2 Alkaloids Anthranilic acid alkaloids Quinoline alkaloids
10,11-Dimethoxytubulosan 2 Alkaloids Tryptophan alkaloids Carboline alkaloids
10(11)-EpDPE 3 Fatty Acyls Docosanoids Docosanoids
10,12,15-Octadecatrienoic acid 2 Fatty Acyls Fatty acids Unsaturated FA
10,16-Dihydroxypalmitic acid 4 Fatty Acyls Fatty acids Hydroxy FA
10,22-Dimethyldotriacontane 1 Fatty Acyls Hydrocarbons Hydrocarbons
10-Deacetyl-2-debenzoylbaccatin III 5 Prenol Lipids Isoprenoids Other Isoprenoids
10-Deacetylbaccatin III 3 Prenol Lipids Isoprenoids C20 isoprenoids
10-Deoxymethymycin 2 Polyketides Macrolides Macrolides
10-Deoxymethynolide 10 Polyketides Macrolides Macrolides
10E,12Z-Octadecadienoic acid 4 Fatty Acyls Fatty acids Unsaturated FA
10-Formyldihydrofolic acid 14 Organoheterocyclic compounds Pterins Folic acids
10-HDoHE 16 Fatty Acyls Docosanoids Docosanoids
10-Hendecenoic acid 64 Fatty Acyls Fatty acids Unsaturated FA
10-HpODE 1 Fatty Acyls Octadecanoids HpODE
10-Hydroxy-11-dodecenoic acid 2 Fatty Acyls Fatty acids Hydroxy FA
10-Hydroxy-2E-decenoic acid 6 Fatty Acyls Fatty acids Hydroxy FA
10-Hydroxydecanoic acid 130 Fatty Acyls Fatty acids Hydroxy FA
10-Hydroxydihydrosanguinarine 1 Alkaloids Tyrosine alkaloids Benzophenanthridine alkaloids
10-Hydroxywarfarin 6 Polyketides Coumarins Coumarins
10-Methyl-heptadecanoic acid 1 Fatty Acyls Fatty acids Branched FA
10-Methyl-hexadecanoic acid 3 Fatty Acyls Fatty acids Branched FA
10-Nitrolinoleic acid 22 Fatty Acyls Fatty acids Nitro FA
10-Nitrooleic acid 19 Fatty Acyls Fatty acids Nitro FA
10-Oxodecanoic acid 13 Fatty Acyls Fatty acids Oxo FA
10-Propargyl-5,8-dideazafolic acid 3 Organic acids Amino acids and peptides Amino acids
10R-HpODE 1 Fatty Acyls Octadecanoids HpODE
10S,17S-DiHDoHE 5 Fatty Acyls Docosanoids Docosanoids
10S-HpODE 1 Fatty Acyls Octadecanoids HpODE
10S-HpOME 1 Fatty Acyls Octadecanoids HpOME
10-Undecenal 5 Fatty Acyls Fatty aldehydes Fatty aldehydes
10-Undecenyl acetate 4 Fatty Acyls Fatty esters Short fatty esters
10Z,13Z,16Z-Docosatrienoic acid 27 Fatty Acyls Fatty acids Unsaturated FA
10Z-Heptadecenoic acid 99 Fatty Acyls Fatty acids Unsaturated FA
10Z-Heptadecenoyl-EA 1 Fatty Acyls Fatty amides NAE
1,10-Phenanthroline 1 Benzenoids Phenanthrolines Phenanthrolines
11,12,13-TriHOME 3 Fatty Acyls Octadecanoids TriHOME
11,12-DiHETE 3 Fatty Acyls Eicosanoids HETE
11,12-DiHETrE 63 Fatty Acyls Eicosanoids HETrE
11,12-DiHETrE-EA 2 Fatty Acyls Fatty amides NAE
11,12-Ep-15S-HETrE 1 Fatty Acyls Eicosanoids EpETrE
11(12)-EpETE 15 Fatty Acyls Eicosanoids Other Eicosanoids
11(12)-EpETrE 5 Fatty Acyls Eicosanoids EpETrE
11(12)-EpETrE-EA 1 Fatty Acyls Fatty amides NAE
11,14-Eicosadienoic acid 6 Fatty Acyls Fatty acids Unsaturated FA
1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane 5 Benzenoids Benzenes Diphenylmethanes
1,1,1-Trichloroethane 3 Organohalogen compounds Organohalogen compounds Organochlorides
1,13-Tetradecadien-3-one 1 Fatty Acyls Hydrocarbons Oxygenated hydrocarbons
11alpha-Hydroxyprogesterone 15 Sterol Lipids Steroids C21 Steroids
11-Aminoundecanoic acid 38 Fatty Acyls Fatty acids Amino FA
11beta,17alpha,21-Trihydroxypregnenolone 2 Sterol Lipids Steroids C21 steroids
11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid 4 Sterol Lipids Steroids C21 Steroids
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione 8 Sterol Lipids Steroids C21 Steroids
11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid 2 Sterol Lipids Steroids C21 Steroids
11beta-Hydroxyandrost-4-ene-3,17-dione 13 Sterol Lipids Steroids C19 Steroids
11beta-Hydroxyandrosterone-3-glucuronide 8 Sterol Lipids Steroids C19 Steroids
11beta-Hydroxyprogesterone 9 Sterol Lipids Steroids C21 Steroids
11beta-Hydroxytestosterone 1 Sterol Lipids Steroids C19 Steroids
11-beta-PGE1 1 Fatty Acyls Eicosanoids Prostaglandins
11beta-PGE2 5 Fatty Acyls Eicosanoids Prostaglandins
11beta-PGF2alpha 2 Fatty Acyls Eicosanoids Prostaglandins
11-cis-Retinal 1 Prenol Lipids Isoprenoids Retinoids
11-cis-Retinol 6 Prenol Lipids Isoprenoids Retinoids
11-Dehydro-2,3-dinor-TXB2 4 Fatty Acyls Eicosanoids Thromboxanes
11-Dehydrocorticosterone 19 Sterol Lipids Steroids C21 Steroids
11-Dehydro-TXB2 21 Fatty Acyls Eicosanoids Thromboxanes
11-Dehydro-TXB3 4 Fatty Acyls Eicosanoids Thromboxanes
11-Deoxocucurbitacin I 3 Prenol Lipids Isoprenoids C30 isoprenoids
11-Deoxy-11-methylene-15-keto-PGD2 4 Fatty Acyls Eicosanoids Prostaglandins
11-Deoxy-16,16-dimethyl-PGE2 10 Fatty Acyls Eicosanoids Prostaglandins
11-Deoxycorticosterone 26 Sterol Lipids Steroids C21 Steroids
11-Deoxycortisol 58 Sterol Lipids Steroids C21 Steroids
11-deoxy-PGE1 5 Fatty Acyls Eicosanoids Prostaglandins
11-Deoxy-PGE2 6 Fatty Acyls Eicosanoids Prostaglandins
11-Deoxy-PGF1alpha 2 Fatty Acyls Eicosanoids Prostaglandins
11-Deoxy-PGF2alpha 2 Fatty Acyls Eicosanoids Prostaglandins
1,1-dimethyl-3-phenyl-urea 7 Benzenoids Benzenes N-phenylureas
1,1-Dimethyl-4-phenylpiperazinium iodide 1 Organoheterocyclic compounds Piperazines Piperazines
11-HDoHE 23 Fatty Acyls Docosanoids Docosanoids
11-HEPE 14 Fatty Acyls Eicosanoids HEPE
11-HETE 66 Fatty Acyls Eicosanoids HETE
11-HpETE 4 Fatty Acyls Eicosanoids HETE
11-Hydroxy-9,10-dihydrojasmonic acid 4 Fatty Acyls Octadecanoids Jasmonic acids
11-Hydroxy-9-tridecenoic acid 4 Fatty Acyls Fatty acids Hydroxy FA
11-Hydroxy-delta9-THC 3 Polyketides Aromatic polyketides Other aromatic polyketides
11-Hydroxy palmitic acid 3 Fatty Acyls Fatty acids Hydroxy FA
11-Hydroxystearic acid 1 Fatty Acyls Octadecanoids HODA
11-Ketoetiocholanolone 6 Sterol Lipids Steroids C19 Steroids
11-Nor-delta9-THC-9-carboxylic acid 1 Polyketides Aromatic polyketides Other aromatic polyketides
11-Oxo-androsterone glucuronide 6 Sterol Lipids Steroids C19 Steroids
11-Oxotestosterone 3 Sterol Lipids Steroids C19 Steroids
11R-HEDE 3 Fatty Acyls Eicosanoids Other Eicosanoids
11R-HETE 5 Fatty Acyls Eicosanoids HETE
11R-HpETE 1 Fatty Acyls Eicosanoids HETE
11R-HpOME 1 Fatty Acyls Octadecanoids HpOME
11S,12R-EpETrE 1 Fatty Acyls Eicosanoids EpETrE
11S-HEPE 1 Fatty Acyls Eicosanoids HEPE
11S-HETE 6 Fatty Acyls Eicosanoids HETE
11S-HpODE 1 Fatty Acyls Octadecanoids HpODE
11-trans-LTC4 1 Fatty Acyls Eicosanoids Leukotrienes
11Z,14Z,17Z-Eicosatrienoyl-EA 5 Fatty Acyls Fatty amides NAE
11Z,14Z-Eicosadienoic acid 130 Fatty Acyls Fatty acids Unsaturated FA
11Z-Eicosaenoyl-EA 23 Fatty Acyls Fatty amides NAE
11Z-Eicosenoyl-CoA 1 Fatty Acyls Fatty esters Acyl CoAs
11Z-Tetradecenoyl-CoA 1 Fatty Acyls Fatty esters Acyl CoAs
12,13-DiHODE 20 Fatty Acyls Octadecanoids DiHODE
12,13-DiHOME 169 Fatty Acyls Octadecanoids DiHOME
12,13-Dihydroxy-11-methoxy-9-octadecenoic acid 6 Fatty Acyls Fatty acids Methoxy FA
12(13)-EpOME 63 Fatty Acyls Octadecanoids EpOME
12,13(S)-EOT 1 Fatty Acyls Fatty acids Epoxy FA
12,14-Heptacosadiynoic acid 1 Fatty Acyls Fatty acids Unsaturated FA
12,14-Pentacosadiynoic acid 1 Fatty Acyls Fatty acids Unsaturated FA
1,2,3,4-Tetrahydro-2-methyl-b-carboline 1 Alkaloids Tryptophan alkaloids Carboline alkaloids
1,2,3,4-Tetrahydro-beta-carboline-1,3-dicarboxylic acid 6 Alkaloids Tryptophan alkaloids Carboline alkaloids
1,2,3,4-tetrahydroisoquinoline 1 Alkaloids Tyrosine alkaloids Isoquinoline alkaloids
1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose 1 Polyketides Tannins Tannins
1,2,3-Butanetriol 24 Organic oxygen compounds Alcohols and polyols 1,2-diols
1,2,3-Propanetricarboxylic acid 72 Organic acids Carboxylic acids Tricarboxylic acids
1,2,3-Trihydroxybenzene 64 Benzenoids Phenols Benzenetriols
1,2,3-Trimethylbenzene 2 Benzenoids Benzenes Other benzenes
1,2,4,5-Tetrazine 1 Organoheterocyclic compounds Tetrazines Tetrazines
1,2,4-Trihydroxybenzene 41 Benzenoids Phenols Benzenetriols
1,2,4-Trimethylbenzene 6 Benzenoids Benzenes Other benzenes
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one 1 Prenol Lipids Isoprenoids C15 isoprenoids
12a-Hydroxyerythynone 2 Polyketides Flavonoids Rotenoids
12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic acid 7 Sterol Lipids Bile acids C24 bile acids
12-Aminododecanoic acid 13 Fatty Acyls Fatty amides Primary amides
1,2-Anhydro-myo-inositol 19 Organic oxygen compounds Alcohols and polyols Inositols
1,2-Benzisothiazol-3(2H)-one 13 Organoheterocyclic compounds Benzothiazoles Benzothiazoles
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid 4 Sterol Lipids Bile acids C24 bile acids
1,2-bis(4-Hydroxy-3-methoxyphenyl)ethylene 1 Polyketides Aromatic polyketides Stilbenes
12-Chloro-dodecanoic acid 2 Fatty Acyls Fatty acids Halogenated FA
12-Dehydrotetracycline 1 Polyketides Tetracyclines Tetracyclines
1,2-DG 30:0 4 Glycerolipids Diradylglycerols DAG
1,2-DG 30:1 4 Glycerolipids Diradylglycerols DAG
1,2-DG 30:2 1 Glycerolipids Diradylglycerols DAG
1,2-DG 32:0 4 Glycerolipids Diradylglycerols DAG
1,2-DG 32:1 4 Glycerolipids Diradylglycerols DAG
1,2-DG 32:2 4 Glycerolipids Diradylglycerols DAG
1,2-DG 32:3 3 Glycerolipids Diradylglycerols DAG
1,2-DG 32:4 2 Glycerolipids Diradylglycerols DAG
1,2-DG 32:5 2 Glycerolipids Diradylglycerols DAG
1,2-DG 33:0 3 Glycerolipids Diradylglycerols DAG
1,2-DG 33:1 3 Glycerolipids Diradylglycerols DAG
1,2-DG 34:0 4 Glycerolipids Diradylglycerols DAG
1,2-DG 34:1 4 Glycerolipids Diradylglycerols DAG
1,2-DG 34:2 4 Glycerolipids Diradylglycerols DAG
1,2-DG 34:3 4 Glycerolipids Diradylglycerols DAG
1,2-DG 34:4 3 Glycerolipids Diradylglycerols DAG
1,2-DG 35:0 3 Glycerolipids Diradylglycerols DAG
1,2-DG 35:1 3 Glycerolipids Diradylglycerols DAG
1,2-DG 35:2 3 Glycerolipids Diradylglycerols DAG
1,2-DG 35:3 3 Glycerolipids Diradylglycerols DAG
1,2-DG 35:4 2 Glycerolipids Diradylglycerols DAG
1,2-DG 36:0 4 Glycerolipids Diradylglycerols DAG
1,2-DG 36:1 4 Glycerolipids Diradylglycerols DAG
1,2-DG 36:2 4 Glycerolipids Diradylglycerols DAG
1,2-DG 36:3 4 Glycerolipids Diradylglycerols DAG
1,2-DG 36:4 4 Glycerolipids Diradylglycerols DAG
1,2-DG 36:5 4 Glycerolipids Diradylglycerols DAG
1,2-DG 37:0 2 Glycerolipids Diradylglycerols DAG
1,2-DG 37:1 3 Glycerolipids Diradylglycerols DAG
1,2-DG 37:2 2 Glycerolipids Diradylglycerols DAG
1,2-DG 37:3 3 Glycerolipids Diradylglycerols DAG
1,2-DG 37:4 2 Glycerolipids Diradylglycerols DAG
1,2-DG 37:5 1 Glycerolipids Diradylglycerols DAG
1,2-DG 38:0 3 Glycerolipids Diradylglycerols DAG
1,2-DG 38:1 4 Glycerolipids Diradylglycerols DAG
1,2-DG 38:2 4 Glycerolipids Diradylglycerols DAG
1,2-DG 38:3 4 Glycerolipids Diradylglycerols DAG
1,2-DG 38:4 4 Glycerolipids Diradylglycerols DAG
1,2-DG 38:5 4 Glycerolipids Diradylglycerols DAG
1,2-DG 38:6 3 Glycerolipids Diradylglycerols DAG
1,2-DG 40:0 2 Glycerolipids Diradylglycerols DAG
1,2-DG 40:1 2 Glycerolipids Diradylglycerols DAG
1,2-DG 40:2 3 Glycerolipids Diradylglycerols DAG
1,2-DG 40:3 2 Glycerolipids Diradylglycerols DAG
1,2-DG 40:4 3 Glycerolipids Diradylglycerols DAG
1,2-DG 40:5 2 Glycerolipids Diradylglycerols DAG
1,2-DG 40:6 3 Glycerolipids Diradylglycerols DAG
1,2-DG 40:7 3 Glycerolipids Diradylglycerols DAG
1,2-Dichloroethane 3 Organohalogen compounds Organohalogen compounds Organochlorides
1,2-Dihydro-1,1,6-trimethylnaphthalene 7 Benzenoids Naphthalenes Naphthalenes
1,2-Dihydrosantonin 3 Prenol Lipids Isoprenoids C15 isoprenoids
1,2-Dihydroxy-3-keto-5-methylthiopentene 16 Organic oxygen compounds Carbonyl compounds Other carbonyl compounds
1,2-Dihydroxydibenzothiophene 3 Organoheterocyclic compounds Benzothiophenes Dibenzothiophenes
1,2-Dihydroxymint lactone 3 Organoheterocyclic compounds Benzofurans Benzofurans
12-epi-LTB4 10 Fatty Acyls Eicosanoids Leukotrienes
1-(2-Furanylmethyl)-1H-pyrrole 2 Organoheterocyclic compounds Substituted pyrroles Substituted pyrroles
12-HEPE 57 Fatty Acyls Eicosanoids HEPE
12-HETE 107 Fatty Acyls Eicosanoids HETE
12-Hydroxy-10-octadecynoic acid 2 Fatty Acyls Octadecanoids Other Octadecanoids
12-Hydroxy-5,8,10-heptadecatrienoic acid 1 Fatty Acyls Fatty acids Hydroxy FA
12-Hydroxyjasmonic acid 6 Fatty Acyls Octadecanoids Jasmonic acids
12-Hydroxy lauric acid 115 Fatty Acyls Fatty acids Hydroxy FA
12-Hydroxynevirapine 2 Organic nitrogen compounds Organonitrogen compounds Other organonitrogen compounds
12-Hydroxy stearic acid 30 Fatty Acyls Octadecanoids HODA
12-Ketochenodeoxycholic acid 25 Sterol Lipids Bile acids C24 bile acids
12-Ketolithocholic acid 35 Sterol Lipids Bile acids C24 bile acids
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