MetStat: Summary table of metabolites most frequently reported in NMDR studies
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| Refmet Name | Studies | Super Class | Main Class | Sub Class |
|---|---|---|---|---|
| Nereistoxin | 1 | Organoheterocyclic compounds | 1,2-dithiolanes | 1,2-dithiolanes |
| Ametryn | 1 | Organoheterocyclic compounds | 1,3,5-triazines | 1,3,5-triazines |
| Linderane | 2 | Organoheterocyclic compounds | 1,4-dioxanes | 1,4-dioxanes |
| Glycolaldehyde dimer | 3 | Organoheterocyclic compounds | 1,4-dioxanes | 1,4-dioxanes |
| cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene | 8 | Organoheterocyclic compounds | 1-benzothiophenes | 1-benzothiophenes |
| Aminoimidazole ribonucleotide | 1 | Organic oxygen compounds | 1-phosphoribosyl-imidazoles | 1-phosphoribosyl-imidazoles |
| Albendazole | 3 | Organoheterocyclic compounds | 2-Benzimidazolylcarbamic acid esters | 2-Benzimidazolylcarbamic acid esters |
| Carbendazim | 5 | Organoheterocyclic compounds | 2-Benzimidazolylcarbamic acid esters | 2-Benzimidazolylcarbamic acid esters |
| Bupropion | 4 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Dihydroxyacetophenone | 1 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Acetophenone | 40 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Isolobinine | 1 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Tolmetin | 5 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Cathinone | 4 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Diethylpropion | 3 | Organic oxygen compounds | Acetophenones | Acetophenones |
| 2',4'-Dihydroxyacetophenone | 37 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Benzofenap | 2 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Hydroxybupropion | 14 | Organic oxygen compounds | Acetophenones | Acetophenones |
| Dihydromethylsterigmatocystin | 2 | Polyketides | Aflatoxins | Aflatoxins |
| Aflatoxin B1exo-8,9-epoxide-GSH | 1 | Polyketides | Aflatoxins | Aflatoxins |
| Sterigmatocystin | 3 | Polyketides | Aflatoxins | Aflatoxins |
| 6-Demethylsterigmatocystin | 2 | Polyketides | Aflatoxins | Aflatoxins |
| Inositol 1,3,4,5-tetraphosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 8,8-Diethoxy-2,6-dimethyl-2-octanol | 1 | Organic acids | Alcohols and polyols | Tertiary alcohols |
| Inositol phosphate | 5 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| myo-Inositol 2-phosphate | 23 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 1D-5-O-Methyl-myo-inositol | 4 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Netilmicin | 11 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Theogallin | 2 | Organic oxygen compounds | Alcohols and polyols | Quinic acids |
| Glycerol | 347 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Inositol | 12 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 1,2,3-Butanetriol | 17 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Kanamycin | 2 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Isopropanol | 15 | Organic oxygen compounds | Alcohols and polyols | Secondary alcohols |
| Conduritol epoxide | 66 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Paromomycin | 1 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Myo-inositol hexakisphosphate | 11 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| D-1,4-Dithiothreitol | 3 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Inositol 4-phosphate | 60 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Pinitol | 65 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Rishitin | 22 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Inositol 1,4,5-trisphosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 4-Hydroxycyclohexylcarboxylic acid | 12 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| Kanamycin B | 1 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 1-Cyano-2-hydroxy-3-butene | 1 | Organic oxygen compounds | Alcohols and polyols | Secondary alcohols |
| Mukaadial | 9 | Organic acids | Alcohols and polyols | Tertiary alcohols |
| Propylene glycol | 32 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Dehydroshikimate | 1 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 1,2-Anhydro-myo-inositol | 19 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol | 6 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Ethylene glycol | 10 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 2,3-Butanediol | 27 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Inositol 3-phosphate | 31 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Myo-inositol | 455 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Streptidine | 3 | Organic oxygen compounds | Alcohols and polyols | Aminocyclitols |
| 3-Amino-2,3-dideoxy-scyllo-inosose | 3 | Organic oxygen compounds | Alcohols and polyols | Aminocyclitols |
| 2-Hydroxy-2-methylbutanenitrile | 2 | Organic acids | Alcohols and polyols | Tertiary alcohols |
| Inositol cyclic phosphate | 32 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 1D-chiro-Inositol | 45 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Tobramycin | 2 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Inositol 1,3,4-trisphosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Glutinosone | 2 | Organic oxygen compounds | Alcohols and polyols | Secondary alcohols |
| Desvenlafaxine | 10 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| Ingenol | 1 | Organic acids | Alcohols and polyols | Tertiary alcohols |
| trans-Cyclohexane-1,2-diol | 17 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| Cyanohydroxybutene | 1 | Organic oxygen compounds | Alcohols and polyols | Secondary alcohols |
| Cyclohexanol | 3 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| 2-Deoxyerythritol | 29 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 2-Deoxy-D-ribitol | 11 | Organic oxygen compounds | Alcohols and polyols | Secondary alcohols |
| Arbekacin | 2 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Valiolone | 2 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Amikacin | 3 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Aminoshikimate | 3 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| cis-4-Hydroxycyclohexylacetic acid | 4 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| 1-Deoxyerythritol | 4 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 3-Dehydroshikimate | 49 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Dihydrostreptomycin | 1 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 2-Deoxystreptamine | 1 | Organic oxygen compounds | Alcohols and polyols | Aminocyclitols |
| D-myo-Inositol 3,4,5,6-tetrakisphosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 1-Guanidino-1-deoxy-scyllo-inositol | 3 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| sn-Glycero-3-phosphoinositol | 80 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Streptomycin | 4 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| trans-3-Hydroxycotinine | 39 | Alkaloids | Alkaloids | Other alkaloids |
| Solanocapsine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Saxitoxin | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Tropinone | 12 | Alkaloids | Alkaloids | Other alkaloids |
| Reserpine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Rescinnamine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Protopine | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Protoveratrine B | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Protoveratrine A | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Agroclavine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Pilocarpine | 17 | Alkaloids | Alkaloids | Other alkaloids |
| Ajmaline | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Cotinine N-oxide | 31 | Alkaloids | Alkaloids | Other alkaloids |
| Affinine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Peiminine | 4 | Alkaloids | Alkaloids | Other alkaloids |
| Uplandicine | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Coniine | 6 | Alkaloids | Alkaloids | Other alkaloids |
| N-Methylnicotinium | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Methylisopelletierine | 10 | Alkaloids | Alkaloids | Other alkaloids |
| Metazocine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Peimine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Jervine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Hygrine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Adifoline | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Guvacine | 6 | Alkaloids | Alkaloids | Other alkaloids |
| Gelsemicine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Prosopinine | 13 | Alkaloids | Alkaloids | Other alkaloids |
| Oxymatrine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Ethylketocyclazocine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Geissoschizine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Elaeokanine C | 14 | Alkaloids | Alkaloids | Other alkaloids |
| Neurine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Samandarine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Seneciphylline | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Epibatidine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Dihydro-alpha-ergocryptine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Voacamine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Deserpidine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Decarbamoylgonyautoxin III | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Vinblastine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Zygadenine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Cuscohygrine | 4 | Alkaloids | Alkaloids | Other alkaloids |
| Conessine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Catharine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Canthin-6-one | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Cassine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Adlumine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Bremazocine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Bufotenin | 4 | Alkaloids | Alkaloids | Other alkaloids |
| Androcymbine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Arecoline | 22 | Alkaloids | Alkaloids | Other alkaloids |
| Anatoxin A | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Anabasine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Argyrolobine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Amalorin | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Cadiamine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| alpha-Narcotine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| alpha-Erythroidine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Alpinine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Allocryptopine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Amabiline | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Veratridine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Acutumidine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Methyl methanesulfonate | 6 | Organic acids | Alkanesulfonic acids | Methanesulfonates |
| Perfluorooctanesulfonic acid | 29 | Organohalogen compounds | Alkyl fluorides | Perfluorooctane sulfonic acids |
| Perfluoropentanoic acid | 2 | Organohalogen compounds | Alkyl fluorides | Perfluoroalkyl carboxylic acids |
| Perfluorooctanoic acid | 19 | Organohalogen compounds | Alkyl fluorides | Perfluoroalkyl carboxylic acids |
| Perfluorononanoic acid | 3 | Organohalogen compounds | Alkyl fluorides | Perfluorooctanoic acids |
| Perfluorodecanoic acid | 3 | Organohalogen compounds | Alkyl fluorides | Perfluoroalkyl carboxylic acids |
| Perfluoroheptane sulfonic acid | 1 | Organohalogen compounds | Alkyl fluorides | Perfluoroalkyl sulfonic acids |
| Perfluorohexanoic acid | 2 | Organohalogen compounds | Alkyl fluorides | Perfluoroalkyl carboxylic acids |
| Perfluoroheptanoic acid | 2 | Organohalogen compounds | Alkyl fluorides | Perfluoroalkyl carboxylic acids |
| Riboflavin | 231 | Organoheterocyclic compounds | Alloxazines and isoalloxazines | Flavins |
| Lumichrome | 61 | Organoheterocyclic compounds | Alloxazines and isoalloxazines | Flavins |
| FMN | 121 | Organoheterocyclic compounds | Alloxazines and isoalloxazines | Flavins |
| FMNH | 1 | Organoheterocyclic compounds | Alloxazines and isoalloxazines | Flavins |
| Methylazoxymethanol | 3 | Organic acids | Allyl-type 1,3-dipolar organic compounds | Allyl-type 1,3-dipolar organic compounds |
| Ethylnitronate | 1 | Organic acids | Allyl-type 1,3-dipolar organic compounds | Allyl-type 1,3-dipolar organic compounds |
| Doronine | 1 | Organic acids | Alpha-acyloxy carbonyl compounds | Alpha-acyloxy ketones |
| Trimethylamine N-oxide | 236 | Organic nitrogen compounds | Amine oxides | Trisubstituted amine oxides |
| Triethanolamine | 77 | Organic nitrogen compounds | Amines | Tertiary amines |
| Trientine | 1 | Organic nitrogen compounds | Amines | Dialkylamines |
| Triethylamine | 1 | Organic nitrogen compounds | Amines | Trialkylamines |
| Tranylcypromine | 1 | Organic nitrogen compounds | Amines | Aralkylamines |
| Tributylamine | 14 | Organic nitrogen compounds | Amines | Trialkylamines |
| Trimethylamine | 88 | Organic nitrogen compounds | Amines | Tertiary amines |
| Timolol | 4 | Organic nitrogen compounds | Amines | Tertiary amines |
| Ritalinic acid | 7 | Organic nitrogen compounds | Amines | Aralkylamines |
| 2-Aminopropanol | 5 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Pramipexole | 3 | Organic nitrogen compounds | Amines | Aralkylamines |
| Porphobilinogen | 23 | Organic nitrogen compounds | Amines | Aralkylamines |
| Procyclidine | 3 | Organic nitrogen compounds | Amines | Aralkylamines |
| Pirimicarb | 9 | Organic nitrogen compounds | Amines | Dialkylarylamines |
| Pirbuterol | 16 | Organic nitrogen compounds | Amines | Aralkylamines |
| Phencyclidine | 10 | Organic nitrogen compounds | Amines | Aralkylamines |
| Otonecine | 28 | Organic nitrogen compounds | Amines | Tertiary amines |
| N,N-Dimethylaniline | 12 | Organic nitrogen compounds | Amines | Dialkylarylamines |
| N,N-Dimethylhexadecylamine | 1 | Organic nitrogen compounds | Amines | Trialkylamines |
| Ranitidine | 29 | Organic nitrogen compounds | Amines | Aralkylamines |
| N-Acetylhistamine | 69 | Organic nitrogen compounds | Amines | Aralkylamines |
| Muscimol | 4 | Organic nitrogen compounds | Amines | Aralkylamines |
| N-Acetyltranylcypromine | 1 | Organic nitrogen compounds | Amines | Aralkylamines |
| 2-Phenylacetamide | 22 | Organic nitrogen compounds | Amines | Aralkylamines |
| Methapyrilene | 3 | Organic nitrogen compounds | Amines | Dialkylarylamines |
| Miotine | 2 | Organic nitrogen compounds | Amines | Aralkylamines |
| L-Histidinol | 62 | Organic nitrogen compounds | Amines | Aralkylamines |
| Isopropanolamine | 10 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Methaphenilene | 3 | Organic nitrogen compounds | Amines | Dialkylarylamines |
| Imidacloprid | 1 | Organic nitrogen compounds | Amines | Aralkylamines |
| Histidinal | 8 | Organic nitrogen compounds | Amines | Aralkylamines |
| 2-Amino-2-methylol-propane-1,3-diol | 28 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Ethanolamine | 286 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Dimethylethanolamine | 12 | Organic nitrogen compounds | Amines | Tertiary amines |
| Diethanolamine | 118 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| Dioctylamine | 3 | Organic nitrogen compounds | Amines | Dialkylamines |
| Dipyridamole | 1 | Organic nitrogen compounds | Amines | Dialkylarylamines |
| Anatabine | 3 | Organic nitrogen compounds | Amines | Aralkylamines |
