MetStat: Summary table of metabolites most frequently reported in NMDR studies
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| Refmet Name | Studies | Super Class | Main Class | Sub Class |
|---|---|---|---|---|
| 2-Aminopropanol | 5 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| 2-Amino-2-methylol-propane-1,3-diol | 31 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Diethanolamine | 129 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| N-Lauryldiethanolamine | 8 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Isopropanolamine | 11 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Aminopropanol | 1 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Ethanolamine | 306 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Rishitin | 24 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 2-Deoxyerythritol | 29 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Propylene glycol | 33 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Glycerol | 371 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Ethylene glycol | 10 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 1-Deoxyerythritol | 4 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 1,2,3-Butanetriol | 18 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 2,3-Butanediol | 30 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| D-1,4-Dithiothreitol | 3 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Nereistoxin | 1 | Organoheterocyclic compounds | 1,2-dithiolanes | 1,2-dithiolanes |
| 12-OPDA | 1 | Fatty Acyls | Octadecanoids | 12-oxophytodienoic acids |
| (1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid | 5 | Fatty Acyls | Octadecanoids | 12-oxophytodienoic acids |
| (1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid | 5 | Fatty Acyls | Octadecanoids | 12-oxophytodienoic acids |
| Ametryn | 1 | Organoheterocyclic compounds | 1,3,5-triazines | 1,3,5-triazines |
| Guanadrel Sulfate | 2 | Organic oxygen compounds | Carbonyl compounds | 1,3-dioxolanes |
| Linderane | 2 | Organoheterocyclic compounds | 1,4-dioxanes | 1,4-dioxanes |
| Glycolaldehyde dimer | 3 | Organoheterocyclic compounds | 1,4-dioxanes | 1,4-dioxanes |
| Elaeocarpine | 2 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| 2-Carboxy-2-hydroxy-8-carboxychromene | 1 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| alpha-CEHC | 17 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid | 4 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| gamma-CEHC | 32 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Propantheline chloride | 1 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Chromone-3-carboxylic acid | 2 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| 2-(4-Methoxyphenethyl)chromone | 1 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Drummondin A | 2 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Methylripariochromene A | 3 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Amlexanox | 1 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Lathodoratin | 4 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Eugenitol | 2 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Mallotochromene | 2 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Encecalin | 1 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Precocene II | 15 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| 1-Hydroxytetrahydrocannabinol | 2 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Chromafenozide | 1 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Eupatoriochromene | 2 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| alpha-CEHC sulfate | 2 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| Fluorescein | 5 | Organoheterocyclic compounds | Benzopyrans | 1-Benzopyrans |
| cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene | 8 | Organoheterocyclic compounds | 1-benzothiophenes | 1-benzothiophenes |
| 1-DeoxyCer 18:1;O/24:1 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/16:0 | 5 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 19:0;O/22:0 | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/24:0 | 12 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/18:0 | 10 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/26:0 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/20:0 | 12 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/18:0 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/22:0 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/23:0 | 6 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/18:0 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/16:0 | 6 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/16:0 | 5 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 17:0;O/16:0 | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/16:0 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 19:0;O/24:0 | 4 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/14:0 | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/24:1 | 18 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/26:1 | 4 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/20:0 | 4 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/26:1 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 41:1;O | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 19:0;O/23:0 | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 39:1;O | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/24:2 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:2;O/20:0 | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/20:0 | 15 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/24:1 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/22:0 | 18 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 33:0;O | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:2;O/22:0 | 2 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/26:0 | 3 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/18:0 | 9 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/18:1 | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/21:0 | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/19:0 | 1 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:1;O/24:0 | 7 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/22:0 | 16 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/23:0 | 8 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:1;O/24:0 | 19 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/24:0 | 14 | Sphingolipids | Ceramides | 1-deoxyCer |
| 1-DeoxyCer 18:0;O/22:0 | 12 | Sphingolipids | Ceramides | 1-deoxyCer |
| Cer 18:0;O/20:0 | 8 | Sphingolipids | Ceramides | 1-deoxyCer |
| Aminoimidazole ribonucleotide | 1 | Organic oxygen compounds | 1-phosphoribosyl-imidazoles | 1-phosphoribosyl-imidazoles |
| Imidazoleacetic acid riboside | 64 | Nucleic acids | Imidazoles | 1-ribosyl-imidazole carboxamides |
| 5-Acetyl-2,4-dimethyloxazole | 5 | Organoheterocyclic compounds | Oxazoles | 2,4,5-trisubstituted oxazoles |
| 4-Hexyl-2,5-dimethyloxazole | 1 | Organoheterocyclic compounds | Oxazoles | 2,4,5-trisubstituted oxazoles |
| Albendazole | 4 | Organoheterocyclic compounds | 2-Benzimidazolylcarbamic acid esters | 2-Benzimidazolylcarbamic acid esters |
| Carbendazim | 5 | Organoheterocyclic compounds | 2-Benzimidazolylcarbamic acid esters | 2-Benzimidazolylcarbamic acid esters |
| Galaxolidone | 5 | Organoheterocyclic compounds | Benzopyrans | 2-Benzopyrans |
| 3-Isochromanone | 5 | Organoheterocyclic compounds | Benzopyrans | 2-Benzopyrans |
| Indolebutyric acid | 1 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| N-Hydroxy-tryptamine | 4 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| Isorhynchophylline | 2 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| Roquefortine A | 2 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| Indole-3-acetaldoxime N-oxide | 4 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| 5-Methoxyindoleacetaldehyde | 1 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| 3-Indolebutyric acid | 15 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| 6-Hydroxymelatonin | 8 | Alkaloids | Tryptophan alkaloids | 3-Alkylindoles |
| 2-Aminoacetophenone | 7 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Nitroacetophenone | 2 | Organic oxygen compounds | Acetophenones | Acetophenones |
| 4-Hydroxy-3-methylacetophenone | 7 | Organic oxygen compounds | Acetophenones | Acetophenones |
| 2',4'-Dihydroxyacetophenone | 40 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Tolmetin | 5 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Isolobinine | 2 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Hydroxybupropion | 15 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Acetophenone | 42 | Organic oxygen compounds | Acetophenones | Acetophenones |
| 2-Methylacetophenone | 10 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Diethylpropion | 4 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Dihydroxyacetophenone | 1 | Organic oxygen compounds | Acetophenones | Acetophenones |
| 4-Nitroacetophenone | 5 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Bupropion | 4 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Benzofenap | 2 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Cathinone | 6 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Acridine | 3 | Organoheterocyclic compounds | Benzoquinolines | Acridines |
| 2-Aminoacridone | 4 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Xanthurenic acid | 189 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Rutacridone | 2 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Sparfloxacin | 4 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Ofloxacin | 12 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| 6-Hydroxykynurenic acid | 22 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Norfloxacin | 6 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| 3-Hydroxykynurenic acid | 3 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Moxifloxacin | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Quinaldic acid | 69 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Rufloxacin | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Melicopine | 2 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Kynurenic acid | 360 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Grepafloxacin | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Gatifloxacin | 3 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Evoxanthidine | 5 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Ciprofloxacin | 10 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| 4-Quinolinecarboxylic acid | 50 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Buntanine | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Atalaphylline | 4 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Atalanine | 1 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Acronycine | 2 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| Arborinine | 3 | Alkaloids | Anthranilic acid alkaloids | Acridone alkaloids |
| 5-Acetamido-2-hydroxybenzoic acid | 1 | Benzenoids | Benzenes | Acylaminobenzoic acids |
| N-Acetylprocainamide | 1 | Benzenoids | Benzenes | Acylaminobenzoic acids |
| Methyl n-acetylanthranilate | 11 | Benzenoids | Benzenes | Acylaminobenzoic acids |
| 4-Acetamidobenzoic acid | 26 | Benzenoids | Benzenes | Acylaminobenzoic acids |
| CAR 20:4 | 191 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:3;OH | 2 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:4;OH | 1 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:5 | 23 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:6 | 1 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 8:1(2) | 12 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 8:1;OH | 3 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:2 | 102 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:1;OH | 7 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:2;OH | 7 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:3 | 82 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:5;OH | 2 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 21:0 | 8 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 9:0;OH | 4 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 2:0 | 726 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:0 | 155 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 19:3 | 1 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:0;OH | 2 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 19:0;OH | 1 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 19:1 | 11 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 19:2 | 3 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 19:0 | 15 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 20:1 | 123 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 26:0 | 55 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 9:0 | 82 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR DC14:1 | 1 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:2 | 305 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:2(9E,12E) | 28 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:1;OH | 90 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:2;OH | 36 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:1(11E) | 1 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:1(9E) | 7 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:0;OH | 20 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:1 | 405 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:1(9Z);3OH | 9 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:3 | 94 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 17:1 | 24 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 17:2 | 2 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 16:3 | 28 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 17:0 | 108 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 26:1 | 36 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 16:2 | 80 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 16:1 | 235 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 16:1(2E) | 24 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 16:2;OH | 21 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 16:0 | 490 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 16:0;3OH | 8 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 16:0;OH | 105 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:0 | 404 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 16:1;OH | 42 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 18:3;OH | 3 | Fatty Acyls | Fatty esters | Acyl carnitines |
| CAR 22:5 | 44 | Fatty Acyls | Fatty esters | Acyl carnitines |
