MetStat: Summary table of metabolites most frequently reported in NMDR studies
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| Refmet Name | Studies | Super Class | Main Class | Sub Class |
|---|---|---|---|---|
| Metamitron | 5 | Organoheterocyclic compounds | Triazines | 1,2,4-triazines |
| Metribuzin | 2 | Organoheterocyclic compounds | Triazines | 1,2,4-triazines |
| Ethanolamine | 364 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| 2-Amino-2-methylol-propane-1,3-diol | 50 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| 2-Aminopropanol | 5 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Isopropanolamine | 17 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| 2-Diethylaminoethanol | 1 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| N-Lauryldiethanolamine | 13 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Diethanolamine | 192 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Aminopropanol | 1 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Rishitin | 31 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 1,2,3-Butanetriol | 24 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 2,3-Butanediol | 41 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| D-1,4-Dithiothreitol | 5 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Ethylene glycol | 11 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Butanetriol | 1 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Glycerol | 457 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Propylene glycol | 43 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Nereistoxin | 1 | Organoheterocyclic compounds | Dithiolanes | 1,2-dithiolanes |
| (1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid | 6 | Fatty Acyls | Octadecanoids | 12-oxophytodienoic acids |
| 12-OPDA | 15 | Fatty Acyls | Octadecanoids | 12-oxophytodienoic acids |
| (1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid | 6 | Fatty Acyls | Octadecanoids | 12-oxophytodienoic acids |
| Methoprotryne | 1 | Organoheterocyclic compounds | Triazines | 1,3,5-triazines |
| Irgarol 1051 | 3 | Organoheterocyclic compounds | Triazines | 1,3,5-triazines |
| Atrazine | 7 | Organoheterocyclic compounds | Triazines | 1,3,5-triazines |
| Metenamine | 3 | Organoheterocyclic compounds | Triazines | 1,3,5-triazines |
| Secbumeton | 3 | Organoheterocyclic compounds | Triazines | 1,3,5-triazines |
| Terbumeton | 1 | Organoheterocyclic compounds | Triazines | 1,3,5-triazines |
| Terbutryn | 1 | Organoheterocyclic compounds | Triazines | 1,3,5-triazines |
| Ametryn | 5 | Organoheterocyclic compounds | Triazines | 1,3,5-triazines |
| Simetryn | 2 | Organoheterocyclic compounds | Triazines | 1,3,5-triazines |
| Guanadrel Sulfate | 7 | Organic oxygen compounds | Carbonyl compounds | 1,3-dioxolanes |
| Glycolaldehyde dimer | 5 | Organoheterocyclic compounds | Dioxanes | 1,4-dioxanes |
| Linderane | 2 | Organoheterocyclic compounds | Dioxanes | 1,4-dioxanes |
| Mallotochromene | 4 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Methylripariochromene A | 3 | Benzenoids | Benzopyrans | 1-benzopyrans |
| 2-Carboxy-2-hydroxy-8-carboxychromene | 1 | Benzenoids | Benzopyrans | 1-benzopyrans |
| alpha-CEHC sulfate | 22 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Troglitazone | 2 | Benzenoids | Benzopyrans | 1-benzopyrans |
| alpha-CEHC glucuronide | 17 | Benzenoids | Benzopyrans | 1-benzopyrans |
| 2-(4-Methoxyphenethyl)chromone | 2 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Precocene II | 16 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Cromoglicic acid | 2 | Benzenoids | Benzopyrans | 1-benzopyrans |
| 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid | 5 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Chromafenozide | 1 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Drummondin A | 2 | Benzenoids | Benzopyrans | 1-benzopyrans |
| gamma-CEHC | 43 | Benzenoids | Benzopyrans | 1-benzopyrans |
| IAARh123 | 1 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Erythrosine | 2 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Eupatoriochromene | 3 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Elaeocarpine | 3 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Eugenitol | 4 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Euglobal Ia-1 | 1 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Rhodamine B | 2 | Benzenoids | Benzopyrans | 1-benzopyrans |
| 5'-Carboxy-alpha-chromanol | 2 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Amlexanox | 6 | Benzenoids | Benzopyrans | 1-benzopyrans |
| delta-CEHC | 15 | Benzenoids | Benzopyrans | 1-benzopyrans |
| alpha-CEHC | 23 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Chromone-3-carboxylic acid | 2 | Benzenoids | Benzopyrans | 1-benzopyrans |
| 2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one | 2 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Encecalin | 1 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Lathodoratin | 4 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Nebivolol | 1 | Benzenoids | Benzopyrans | 1-benzopyrans |
| gamma-CEHC sulfate | 6 | Benzenoids | Benzopyrans | 1-benzopyrans |
| gamma-CEHC glucuronide | 23 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Propantheline chloride | 1 | Benzenoids | Benzopyrans | 1-benzopyrans |
| Fluorescein | 8 | Benzenoids | Benzopyrans | 1-benzopyrans |
| cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene | 10 | Organoheterocyclic compounds | Benzothiophenes | 1-benzothiophenes |
| Zuclopenthixol | 5 | Organoheterocyclic compounds | Benzothiopyrans | 1-benzothiopyrans |
| Thiothixene | 3 | Organoheterocyclic compounds | Benzothiopyrans | 1-benzothiopyrans |
| Cer 18:2;O/20:0 | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 33:0;O | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/22:0 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 19:0;O/22:0 | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/24:0 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/26:1 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/18:0 | 10 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/24:2 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/22:0 | 12 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/20:0 | 12 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 19:0;O/24:0 | 6 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/23:0 | 12 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/26:1 | 4 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/18:0 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/24:0 | 24 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/24:0 | 12 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 37:1;O | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 19:0;O/23:0 | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 39:1;O | 4 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:2;O/22:0 | 4 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/23:0 | 9 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/24:1 | 24 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 41:0;O | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/21:0 | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/22:0 | 25 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 41:1;O | 4 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/18:0 | 13 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/14:0 | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/16:0 | 6 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/18:1 | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/19:0 | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/24:0 | 24 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/20:0 | 13 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/22:0 | 26 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/18:0 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/24:1 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/16:0 | 10 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/26:0 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/16:0 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 17:0;O/16:0 | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/20:0 | 19 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/16:0 | 5 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/20:0 | 4 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/24:1 | 9 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/26:0 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| Aminoimidazole ribonucleotide | 1 | Nucleic acids | Imidazoles | 1-phosphoribosyl-imidazoles |
| Imidazoleacetic acid riboside | 72 | Nucleic acids | Imidazoles | 1-ribosyl-imidazole carboxamides |
| 5-Acetyl-2,4-dimethyloxazole | 7 | Organoheterocyclic compounds | Oxazoles | 2,4,5-trisubstituted oxazoles |
| 4-Hexyl-2,5-dimethyloxazole | 2 | Organoheterocyclic compounds | Oxazoles | 2,4,5-trisubstituted oxazoles |
| Albendazole | 6 | Organoheterocyclic compounds | Benzimidazolylcarbamic acid esters | 2-Benzimidazolylcarbamic acid esters |
| Carbendazim | 11 | Organoheterocyclic compounds | Benzimidazolylcarbamic acid esters | 2-Benzimidazolylcarbamic acid esters |
| 1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman | 1 | Benzenoids | Benzopyrans | 2-benzopyrans |
| Galaxolidone | 5 | Benzenoids | Benzopyrans | 2-benzopyrans |
| 3-Isochromanone | 6 | Benzenoids | Benzopyrans | 2-benzopyrans |
| Indole-3-acetaldoxime N-oxide | 9 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| Roquefortine A | 2 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| Roquefortine C | 4 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| N-Hydroxy-tryptamine | 6 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| Indolebutyric acid | 1 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| Isorhynchophylline | 4 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| 6-Hydroxymelatonin | 18 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| 5-Methoxyindoleacetaldehyde | 1 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| 3-Indolebutyric acid | 31 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| 2',4'-Dihydroxyacetophenone | 48 | Benzenoids | Benzenes | Acetophenones |
| Tolmetin | 8 | Benzenoids | Benzenes | Acetophenones |
| Usnic acid | 6 | Benzenoids | Benzenes | Acetophenones |
| 2-Aminoacetophenone | 12 | Benzenoids | Benzenes | Acetophenones |
| 2-Methylacetophenone | 13 | Benzenoids | Benzenes | Acetophenones |
| Nitroacetophenone | 2 | Benzenoids | Benzenes | Acetophenones |
| Bupropion | 5 | Benzenoids | Benzenes | Acetophenones |
| Isolobinine | 3 | Benzenoids | Benzenes | Acetophenones |
| Hydroxybupropion | 16 | Benzenoids | Benzenes | Acetophenones |
| Dihydroxyacetophenone | 1 | Benzenoids | Benzenes | Acetophenones |
| Diethylpropion | 7 | Benzenoids | Benzenes | Acetophenones |
| Benzofenap | 5 | Benzenoids | Benzenes | Acetophenones |
| 2',6'-Dihydroxy-4'-methoxyacetophenone | 2 | Benzenoids | Benzenes | Acetophenones |
| Acetophenone | 54 | Benzenoids | Benzenes | Acetophenones |
| 4-Hydroxy-3-methylacetophenone | 9 | Benzenoids | Benzenes | Acetophenones |
| 4-Nitroacetophenone | 6 | Benzenoids | Benzenes | Acetophenones |
| Cathinone | 10 | Benzenoids | Benzenes | Acetophenones |
| Amsacrine | 3 | Organoheterocyclic compounds | Benzoquinolines | Acridines |
| Acridine | 4 | Organoheterocyclic compounds | Benzoquinolines | Acridines |
| 2-Aminoacridone | 5 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| 3-Hydroxykynurenic acid | 3 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Xanthurenic acid | 250 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Sparfloxacin | 8 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Rutacridone | 3 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Atalanine | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Quinolinecarboxylic acid | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Quinaldic acid | 88 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Quinmerac | 2 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| 4-Quinolinecarboxylic acid | 69 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Pefloxacin | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Norfloxacin | 10 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Ofloxacin | 22 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Moxifloxacin | 4 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Oxolinic acid | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Melicopine | 4 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Rufloxacin | 3 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Buntanine | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Grepafloxacin | 3 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Atalaphylline | 4 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Gatifloxacin | 4 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Arborinine | 4 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Evoxanthidine | 5 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Ciprofloxacin | 16 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Kynurenic acid | 466 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Acronycine | 2 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| 8-Methoxykynurenic acid | 32 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| 6-Hydroxykynurenic acid | 32 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| 5-Acetamido-2-hydroxybenzoic acid | 1 | Benzenoids | Benzenes | Acylaminobenzoic acids |
| Methyl n-acetylanthranilate | 12 | Benzenoids | Benzenes | Acylaminobenzoic acids |
| N-Acetylprocainamide | 4 | Benzenoids | Benzenes | Acylaminobenzoic acids |
| Ethopabate | 10 | Benzenoids | Benzenes | Acylaminobenzoic acids |
| 4-Acetamidobenzoic acid | 32 | Benzenoids | Benzenes | Acylaminobenzoic acids |
| CAR 13:1 | 25 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 13:2;OH | 1 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 14:0 | 460 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 27:3 | 2 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 12:3 | 3 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 12:2;OH | 1 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 17:0 | 138 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 12:2 | 10 | Fatty Acyls | Fatty esters | Acyl carnitines |
| 3-Dehydroxycarnitine | 426 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 13:0 | 59 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 2:0 | 940 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 28:6 | 1 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 12:1(5) | 43 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 12:1(2E) | 14 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 14:0;OH | 54 | Fatty Acyls | Fatty esters | Acyl carnitines |
