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
Aminopropanol 1 Organic nitrogen compounds Amines 1,2-aminoalcohols
N-Lauryldiethanolamine 7 Organic nitrogen compounds Amines 1,2-aminoalcohols
2-Amino-2-methylol-propane-1,3-diol 28 Organic nitrogen compounds Amines 1,2-aminoalcohols
Diethanolamine 118 Organic nitrogen compounds Amines 1,2-aminoalcohols
Isopropanolamine 10 Organic nitrogen compounds Amines 1,2-aminoalcohols
Ethanolamine 286 Organic nitrogen compounds Amines 1,2-aminoalcohols
Ethylene glycol 10 Organic oxygen compounds Alcohols and polyols 1,2-diols
1,2,3-Butanetriol 17 Organic oxygen compounds Alcohols and polyols 1,2-diols
1-Deoxyerythritol 4 Organic oxygen compounds Alcohols and polyols 1,2-diols
Glycerol 347 Organic oxygen compounds Alcohols and polyols 1,2-diols
D-1,4-Dithiothreitol 3 Organic oxygen compounds Alcohols and polyols 1,2-diols
2,3-Butanediol 27 Organic oxygen compounds Alcohols and polyols 1,2-diols
Rishitin 22 Organic oxygen compounds Alcohols and polyols 1,2-diols
2-Deoxyerythritol 29 Organic oxygen compounds Alcohols and polyols 1,2-diols
Propylene glycol 32 Organic oxygen compounds Alcohols and polyols 1,2-diols
Nereistoxin 1 Organoheterocyclic compounds 1,2-dithiolanes 1,2-dithiolanes
(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid 5 Fatty Acyls Octadecanoids 12-oxophytodienoic acids
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid 5 Fatty Acyls Octadecanoids 12-oxophytodienoic acids
Ametryn 1 Organoheterocyclic compounds 1,3,5-triazines 1,3,5-triazines
Guanadrel Sulfate 1 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
Fluorescein 5 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Precocene II 15 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Lathodoratin 4 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
alpha-CEHC sulfate 2 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Propantheline chloride 1 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Drummondin A 2 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Encecalin 1 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
1-Hydroxytetrahydrocannabinol 2 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Elaeocarpine 2 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Eugenitol 2 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
2-Carboxy-2-hydroxy-8-carboxychromene 1 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Eupatoriochromene 2 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Chromone-3-carboxylic acid 2 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Amlexanox 1 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Methylripariochromene A 3 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
Mallotochromene 2 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
alpha-CEHC 16 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid 3 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
gamma-CEHC 30 Organoheterocyclic compounds Benzopyrans 1-Benzopyrans
cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene 8 Organoheterocyclic compounds 1-benzothiophenes 1-benzothiophenes
1-DeoxyCer 18:1;O/22:0 7 Sphingolipids Ceramides 1-deoxyCer
Cer 33:0;O 2 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:1;O/26:0 3 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:1;O/26:1 4 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/23:0 3 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:1;O/18:0 7 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:0;O/20:0 12 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:0;O/18:0 10 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/18:0 6 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:0;O/22:0 12 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:1;O/24:0 7 Sphingolipids Ceramides 1-deoxyCer
Cer 18:2;O/22:0 1 Sphingolipids Ceramides 1-deoxyCer
Cer 19:0;O/23:0 1 Sphingolipids Ceramides 1-deoxyCer
Cer 17:0;O/16:0 1 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:0;O/26:1 3 Sphingolipids Ceramides 1-deoxyCer
Cer 39:1;O 2 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:0;O/24:1 7 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:1;O/20:0 4 Sphingolipids Ceramides 1-deoxyCer
Cer 18:2;O/20:0 1 Sphingolipids Ceramides 1-deoxyCer
Cer 18:0;O/20:0 5 Sphingolipids Ceramides 1-deoxyCer
Cer 18:0;O/16:0 5 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:0;O/26:0 3 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/19:0 1 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:0;O/24:0 12 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:1;O/16:0 3 Sphingolipids Ceramides 1-deoxyCer
Cer 41:1;O 3 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:1;O/24:1 7 Sphingolipids Ceramides 1-deoxyCer
Cer 19:0;O/22:0 1 Sphingolipids Ceramides 1-deoxyCer
Cer 19:0;O/24:0 3 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/24:2 1 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/24:1 13 Sphingolipids Ceramides 1-deoxyCer
1-DeoxyCer 18:0;O/16:0 5 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/21:0 1 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/20:0 10 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/22:0 14 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/24:0 13 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/14:0 2 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/16:0 5 Sphingolipids Ceramides 1-deoxyCer
Cer 18:0;O/22:0 12 Sphingolipids Ceramides 1-deoxyCer
Cer 18:0;O/23:0 5 Sphingolipids Ceramides 1-deoxyCer
Cer 18:1;O/18:1 1 Sphingolipids Ceramides 1-deoxyCer
Cer 18:0;O/24:0 10 Sphingolipids Ceramides 1-deoxyCer
Cer 18:0;O/18:0 3 Sphingolipids Ceramides 1-deoxyCer
Aminoimidazole ribonucleotide 1 Organic oxygen compounds 1-phosphoribosyl-imidazoles 1-phosphoribosyl-imidazoles
Imidazoleacetic acid riboside 56 Nucleic acids Imidazoles 1-ribosyl-imidazole carboxamides
4-Hexyl-2,5-dimethyloxazole 1 Organoheterocyclic compounds Oxazoles 2,4,5-trisubstituted oxazoles
5-Acetyl-2,4-dimethyloxazole 5 Organoheterocyclic compounds Oxazoles 2,4,5-trisubstituted oxazoles
Albendazole 3 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
6-Hydroxymelatonin 6 Alkaloids Tryptophan alkaloids 3-Alkylindoles
Indolebutyric acid 1 Alkaloids Tryptophan alkaloids 3-Alkylindoles
Indole-3-acetaldoxime N-oxide 3 Alkaloids Tryptophan alkaloids 3-Alkylindoles
3-Indolebutyric acid 12 Alkaloids Tryptophan alkaloids 3-Alkylindoles
Roquefortine A 2 Alkaloids Tryptophan alkaloids 3-Alkylindoles
N-Hydroxy-tryptamine 4 Alkaloids Tryptophan alkaloids 3-Alkylindoles
Isorhynchophylline 2 Alkaloids Tryptophan alkaloids 3-Alkylindoles
5-Methoxyindoleacetaldehyde 1 Alkaloids Tryptophan alkaloids 3-Alkylindoles
Enterolactone 14 Lignans Tetrahydrofuran lignans 9,9'-epoxylignans
Tolmetin 5 Organic oxygen compounds Acetophenones Acetophenones
2',4'-Dihydroxyacetophenone 37 Organic oxygen compounds Acetophenones Acetophenones
Isolobinine 1 Organic oxygen compounds Acetophenones Acetophenones
Hydroxybupropion 14 Organic oxygen compounds Acetophenones Acetophenones
Diethylpropion 3 Organic oxygen compounds Acetophenones Acetophenones
Dihydroxyacetophenone 1 Organic oxygen compounds Acetophenones Acetophenones
Bupropion 4 Organic oxygen compounds Acetophenones Acetophenones
Benzofenap 2 Organic oxygen compounds Acetophenones Acetophenones
Acetophenone 40 Organic oxygen compounds Acetophenones Acetophenones
Cathinone 4 Organic oxygen compounds Acetophenones Acetophenones
Acridine 3 Organoheterocyclic compounds Benzoquinolines Acridines
Rutacridone 2 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
4-Quinolinecarboxylic acid 47 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
2-Aminoacridone 4 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Rufloxacin 1 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Sparfloxacin 3 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
3-Hydroxykynurenic acid 3 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
6-Hydroxykynurenic acid 16 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Quinaldic acid 61 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Xanthurenic acid 170 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Moxifloxacin 1 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Norfloxacin 6 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Ofloxacin 12 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Kynurenic acid 320 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Melicopine 2 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Gatifloxacin 2 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Evoxanthidine 5 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Grepafloxacin 1 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Ciprofloxacin 9 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Acronycine 2 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Buntanine 1 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Arborinine 3 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Atalanine 1 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Atalaphylline 2 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
4-Acetamidobenzoic acid 25 Benzenoids Benzenes Acylaminobenzoic acids
N-Acetylprocainamide 1 Benzenoids Benzenes Acylaminobenzoic acids
Methyl n-acetylanthranilate 10 Benzenoids Benzenes Acylaminobenzoic acids
5-Acetamido-2-hydroxybenzoic acid 1 Benzenoids Benzenes Acylaminobenzoic acids
CAR 21:1 1 Fatty Acyls Fatty esters Acyl carnitines
CAR 21:2 6 Fatty Acyls Fatty esters Acyl carnitines
CAR 22:0 53 Fatty Acyls Fatty esters Acyl carnitines
CAR 26:0 51 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:5;OH 2 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:6 1 Fatty Acyls Fatty esters Acyl carnitines
CAR 21:0 3 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:4;OH 1 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:5 14 Fatty Acyls Fatty esters Acyl carnitines
CAR 4:1 18 Fatty Acyls Fatty esters Acyl carnitines
CAR DC18:1 27 Fatty Acyls Fatty esters Acyl carnitines
CAR 22:0;OH 1 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:3 68 Fatty Acyls Fatty esters Acyl carnitines
CAR 22:1 32 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:2 85 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:2;OH 7 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:3;OH 2 Fatty Acyls Fatty esters Acyl carnitines
CAR 24:2 2 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:0;OH 2 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:1 103 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:1;OH 7 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:4 169 Fatty Acyls Fatty esters Acyl carnitines
CAR 4:1;2Me 67 Fatty Acyls Fatty esters Acyl carnitines
CAR DC3:0 125 Fatty Acyls Fatty esters Acyl carnitines
CAR 19:0;OH 1 Fatty Acyls Fatty esters Acyl carnitines
CAR 19:0 11 Fatty Acyls Fatty esters Acyl carnitines
CAR 19:1 7 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:3 78 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:2;OH 35 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:3;OH 3 Fatty Acyls Fatty esters Acyl carnitines
CAR 19:3 1 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:1;OH 85 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:2 273 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:2(9E,12E) 28 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:1(9Z);3OH 6 Fatty Acyls Fatty esters Acyl carnitines
CAR 2:0 623 Fatty Acyls Fatty esters Acyl carnitines
CAR 20:0 133 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:0 352 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:0;OH 17 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:1 360 Fatty Acyls Fatty esters Acyl carnitines
CAR 17:2 2 Fatty Acyls Fatty esters Acyl carnitines
CAR 17:1 15 Fatty Acyls Fatty esters Acyl carnitines
CAR 24:0 59 Fatty Acyls Fatty esters Acyl carnitines
CAR 6:0 311 Fatty Acyls Fatty esters Acyl carnitines
CAR 18:1(9E) 7 Fatty Acyls Fatty esters Acyl carnitines
CAR 17:0 86 Fatty Acyls Fatty esters Acyl carnitines
CAR 26:1 32 Fatty Acyls Fatty esters Acyl carnitines
CAR 16:2 66 Fatty Acyls Fatty esters Acyl carnitines
CAR 4:0;OH,Me 71 Fatty Acyls Fatty esters Acyl carnitines
CAR DC14:1 1 Fatty Acyls Fatty esters Acyl carnitines
CAR DC18:0 25 Fatty Acyls Fatty esters Acyl carnitines
CAR DC3:0;2Me 32 Fatty Acyls Fatty esters Acyl carnitines
CAR 15:3 2 Fatty Acyls Fatty esters Acyl carnitines
CAR 15:2 6 Fatty Acyls Fatty esters Acyl carnitines
CAR 16:3 21 Fatty Acyls Fatty esters Acyl carnitines
CAR 16:0 431 Fatty Acyls Fatty esters Acyl carnitines
CAR 16:2;OH 20 Fatty Acyls Fatty esters Acyl carnitines
CAR 16:0;3OH 4 Fatty Acyls Fatty esters Acyl carnitines
CAR 15:1 6 Fatty Acyls Fatty esters Acyl carnitines
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