MetStat: Summary table of metabolites most frequently reported in NMDR studies
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| Refmet Name | Studies | Super Class | Main Class | Sub Class |
|---|---|---|---|---|
| Aflatoxin B2 | 1 | Polyketides | Aflatoxins | Aflatoxins |
| Aflatoxin B1exo-8,9-epoxide-GSH | 3 | Polyketides | Aflatoxins | Aflatoxins |
| Aflatoxin B1 dialcohol | 4 | Polyketides | Aflatoxins | Aflatoxins |
| Sterigmatocystin | 4 | Polyketides | Aflatoxins | Aflatoxins |
| Aflatoxin M1 | 4 | Polyketides | Aflatoxins | Aflatoxins |
| Dihydromethylsterigmatocystin | 3 | Polyketides | Aflatoxins | Aflatoxins |
| Aflatoxin B1 | 7 | Polyketides | Aflatoxins | Aflatoxins |
| 6-Demethylsterigmatocystin | 2 | Polyketides | Aflatoxins | Aflatoxins |
| D-1,4-Dithiothreitol | 5 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Isopropanol | 19 | Organic oxygen compounds | Alcohols and polyols | Secondary alcohols |
| Rishitin | 31 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 4-Hydroxycyclohexylcarboxylic acid | 25 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| Propylene glycol | 43 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Inositol hexakisphosphate | 8 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Desvenlafaxine | 17 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| Kanamycin B | 2 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 1,2-Anhydro-myo-inositol | 19 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Valiolone | 3 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Kanamycin | 6 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Dihydrostreptomycin | 2 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 1,2,3-Butanetriol | 24 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Tobramycin | 5 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 1D-5-O-Methyl-myo-inositol | 5 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| sn-Glycero-3-phosphoinositol | 126 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Inositol 1,2,3,5,6-pentakisphosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 1D-chiro-Inositol | 57 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Glutinosone | 2 | Organic oxygen compounds | Alcohols and polyols | Secondary alcohols |
| Glycerol | 458 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Dehydroshikimate | 1 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 1D-myo-Inositol 6-phosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Inositol 4-phosphate | 62 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Aminoshikimic acid | 3 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 2,3-Butanediol | 41 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Paromomycin | 3 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Heptaminol | 7 | Organic oxygen compounds | Alcohols and polyols | Tertiary alcohols |
| Cyclohexanol | 4 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| Conduritol epoxide | 68 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Inositol 3-phosphate | 48 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Ethylene glycol | 11 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| Ingenol | 3 | Organic oxygen compounds | Alcohols and polyols | Tertiary alcohols |
| 2,4,7,9-Tetramethyl-5-decyne-4,7-diol | 1 | Organic oxygen compounds | Alcohols and polyols | Tertiary alcohols |
| Netilmicin | 21 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Myo-inositol | 557 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 2-Deoxy-D-ribitol | 15 | Organic oxygen compounds | Alcohols and polyols | Secondary alcohols |
| Mukaadial | 9 | Organic oxygen compounds | Alcohols and polyols | Tertiary alcohols |
| 2-Deoxystreptamine | 4 | Organic oxygen compounds | Alcohols and polyols | Aminocyclitols |
| Inositol cyclic phosphate | 46 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Streptomycin 6-phosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Streptomycin | 8 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Streptidine | 11 | Organic oxygen compounds | Alcohols and polyols | Aminocyclitols |
| Arbekacin | 3 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 1,5-bis-Diphospho-inositol tetrakisphosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Theogallin | 5 | Organic oxygen compounds | Alcohols and polyols | Quinic acids |
| trans-Cyclohexane-1,2-diol | 23 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| Inositol | 96 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| myo-Inositol 2-phosphate | 27 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate | 2 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 5-Diphospho-inositol pentakisphosphate | 1 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Cyanohydroxybutene | 1 | Organic oxygen compounds | Alcohols and polyols | Secondary alcohols |
| 1-Guanidino-1-deoxy-scyllo-inositol | 4 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 8,8-Diethoxy-2,6-dimethyl-2-octanol | 2 | Organic oxygen compounds | Alcohols and polyols | Tertiary alcohols |
| 3R,4S,5R-Trihydroxycyclohexane-1,2-dione | 25 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Butanetriol | 1 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 3-Dehydroshikimic acid | 75 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| 1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol | 7 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| cis-4-Hydroxycyclohexylacetic acid | 11 | Organic oxygen compounds | Alcohols and polyols | Cyclohexanols |
| 2-Hydroxy-2-methylbutanenitrile | 5 | Organic oxygen compounds | Alcohols and polyols | Tertiary alcohols |
| 3-Amino-2,3-dideoxy-scyllo-inosose | 7 | Organic oxygen compounds | Alcohols and polyols | Aminocyclitols |
| Gentamicin C2 | 1 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Pinitol | 83 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Inositol 1,4,5-trisphosphate | 2 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Inositol 1,3,4,5-tetraphosphate | 2 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Amikacin | 4 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Inositol 1,3,4,5,6-pentakisphosphate | 2 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Inositol phosphate | 7 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Lividomycin A | 1 | Organic oxygen compounds | Alcohols and polyols | Cyclitols |
| Cyclopentanol | 3 | Organic oxygen compounds | Alcohols and polyols | Cyclopentanols |
| Inositol 1,4-bisphosphate | 10 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Inositol 1,3,4-trisphosphate | 4 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| Oxymatrine | 10 | Alkaloids | Alkaloids | Other alkaloids |
| Ormosanine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| N-Methylnicotinium | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Peimine | 6 | Alkaloids | Alkaloids | Other alkaloids |
| Zygadenine | 4 | Alkaloids | Alkaloids | Other alkaloids |
| Neurine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Peiminine | 8 | Alkaloids | Alkaloids | Other alkaloids |
| Affinine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Veratridine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Coniine | 13 | Alkaloids | Alkaloids | Other alkaloids |
| Tropinone | 19 | Alkaloids | Alkaloids | Other alkaloids |
| Hygrine | 6 | Alkaloids | Alkaloids | Other alkaloids |
| Acutumidine | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Metazocine | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Uplandicine | 9 | Alkaloids | Alkaloids | Other alkaloids |
| Jervine | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Pelletierine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Solanocapsine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Gelsemicine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Conessine | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Adifoline | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Reserpine | 8 | Alkaloids | Alkaloids | Other alkaloids |
| Rescinnamine | 7 | Alkaloids | Alkaloids | Other alkaloids |
| Adlumine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Agroclavine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Geissoschizine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Fumigaclavine A | 1 | Alkaloids | Alkaloids | Other alkaloids |
| trans-3-Hydroxycotinine | 52 | Alkaloids | Alkaloids | Other alkaloids |
| Methylisopelletierine | 13 | Alkaloids | Alkaloids | Other alkaloids |
| Samandarine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Seneciphylline | 7 | Alkaloids | Alkaloids | Other alkaloids |
| Protoveratrine B | 4 | Alkaloids | Alkaloids | Other alkaloids |
| Prosopinine | 17 | Alkaloids | Alkaloids | Other alkaloids |
| Protopine | 8 | Alkaloids | Alkaloids | Other alkaloids |
| Saxitoxin | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Deserpidine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Ajmaline | 10 | Alkaloids | Alkaloids | Other alkaloids |
| Vinblastine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Voacamine | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Ethylketocyclazocine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Decarbamoylgonyautoxin III | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Elaeokanine C | 17 | Alkaloids | Alkaloids | Other alkaloids |
| Emetine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Cotinine N-oxide | 39 | Alkaloids | Alkaloids | Other alkaloids |
| Chanoclavine-I | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Cuscohygrine | 6 | Alkaloids | Alkaloids | Other alkaloids |
| Pilocarpine | 29 | Alkaloids | Alkaloids | Other alkaloids |
| Catharine | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Epibatidine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Deacetoxyvindoline | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Buxamine E | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Cadiamine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Protoveratrine A | 4 | Alkaloids | Alkaloids | Other alkaloids |
| Dihydro-alpha-ergocryptine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Bufotenin | 8 | Alkaloids | Alkaloids | Other alkaloids |
| Arecoline | 36 | Alkaloids | Alkaloids | Other alkaloids |
| Argyrolobine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Aphylline | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Androcymbine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Apparicine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Anatoxin A | 1 | Alkaloids | Alkaloids | Other alkaloids |
| Anabasine | 8 | Alkaloids | Alkaloids | Other alkaloids |
| Bremazocine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Deacetylvindoline | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Alpinine | 4 | Alkaloids | Alkaloids | Other alkaloids |
| Amabiline | 5 | Alkaloids | Alkaloids | Other alkaloids |
| Cephaeline | 1 | Alkaloids | Alkaloids | Other alkaloids |
| alpha-Erythroidine | 2 | Alkaloids | Alkaloids | Other alkaloids |
| Allocryptopine | 4 | Alkaloids | Alkaloids | Other alkaloids |
| Cassine | 6 | Alkaloids | Alkaloids | Other alkaloids |
| Canthin-6-one | 2 | Alkaloids | Alkaloids | Other alkaloids |
| alpha-Narcotine | 3 | Alkaloids | Alkaloids | Other alkaloids |
| Amalorin | 4 | Alkaloids | Alkaloids | Other alkaloids |
| N-methylperfluorooctane sulfonamidoacetic acid | 1 | Organohalogen compounds | Alkyl halides | Perfluorooctane sulfonic acids |
| N-ethylperfluorooctane sulfonamidoacetic acid | 1 | Organohalogen compounds | Alkyl halides | Perfluorooctane sulfonic acids |
| Iodoform | 1 | Organohalogen compounds | Alkyl halides | Halomethanes |
| Perfluoroundecanoic acid | 1 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluorotetradecanoic acid | 1 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluorotridecanoic acid | 2 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluoropropanoic acid | 1 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluorooctanoic acid | 28 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluoropentanesulfonic acid | 1 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl sulfonic acids |
| Perfluoropentanoic acid | 3 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluoroheptanoic acid | 4 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluorohexane-1-sulphonic acid | 2 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl sulfonic acids |
| Perfluorohexanoic acid | 4 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluorononanoic acid | 9 | Organohalogen compounds | Alkyl halides | Perfluorooctanoic acids |
| Perfluorodecanoic acid | 6 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluorododecanoic acid | 2 | Organohalogen compounds | Alkyl halides | Alkyl fluorides |
| Perfluorooctanesulfonamide | 1 | Organohalogen compounds | Alkyl halides | Perfluorooctane sulfonic acids |
| Perfluorodecanesulfonic acid | 1 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl sulfonic acids |
| Perfluoroheptane sulfonic acid | 3 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl sulfonic acids |
| Perfluorobutanesulfonic acid | 2 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl sulfonic acids |
| Perfluorobutanoic acid | 4 | Organohalogen compounds | Alkyl halides | Perfluoroalkyl carboxylic acids |
| Perfluorooctanesulfonic acid | 39 | Organohalogen compounds | Alkyl halides | Perfluorooctane sulfonic acids |
| Lumichrome | 90 | Organoheterocyclic compounds | Alloxazines and isoalloxazines | Flavins |
| Riboflavin | 409 | Organoheterocyclic compounds | Alloxazines and isoalloxazines | Flavins |
| 1,5-Dihydroriboflavin | 6 | Organoheterocyclic compounds | Alloxazines and isoalloxazines | Flavins |
| FMN | 154 | Organoheterocyclic compounds | Alloxazines and isoalloxazines | Flavins |
| FMNH | 4 | Organoheterocyclic compounds | Alloxazines and isoalloxazines | Flavins |
| 3-(Methylthio)-1-propene | 2 | Organosulfur compounds | Allyl sulfur compounds | Aliphatic acyclic compounds |
| 2-Propene-1-thiol | 2 | Organosulfur compounds | Allyl sulfur compounds | Aliphatic acyclic compounds |
| 2-Nitroimidazole | 1 | Organic acids | Allyl-type 1,3-dipolar organic compounds | Allyl-type 1,3-dipolar organic compounds |
| Methylazoxymethanol | 3 | Organic acids | Allyl-type 1,3-dipolar organic compounds | Allyl-type 1,3-dipolar organic compounds |
| Ethylnitronate | 2 | Organic acids | Allyl-type 1,3-dipolar organic compounds | Allyl-type 1,3-dipolar organic compounds |
| Bronopol | 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 | 355 | Organic nitrogen compounds | Amine oxides | Trisubstituted amine oxides |
| Otonecine | 34 | Organic nitrogen compounds | Amines | Tertiary amines |
| Octadecylamine | 24 | Organic nitrogen compounds | Amines | Amines |
| N-Pentadecylamine | 15 | Organic nitrogen compounds | Amines | Amines |
| Octylamine | 32 | Organic nitrogen compounds | Amines | Amines |
| N,N-Dimethyl-4-nitrosoaniline | 2 | Organic nitrogen compounds | Amines | Amines |
| N,N-Dimethylaniline | 20 | Organic nitrogen compounds | Amines | Dialkylarylamines |
| N-Methyloctan-1-amine | 1 | Organic nitrogen compounds | Amines | Amines |
| N,N-Dimethylhexadecylamine | 7 | Organic nitrogen compounds | Amines | Trialkylamines |
| 2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol | 6 | Organic nitrogen compounds | Amines | Amines |
| N-Gluconyl ethanolamine | 8 | Organic nitrogen compounds | Amines | Amines |
| N-Lauryldiethanolamine | 13 | Organic nitrogen compounds | Amines | 1,2-aminoalcohols |
| N-Methylaniline | 13 | Organic nitrogen compounds | Amines | Amines |
| N-Acetylhistamine | 111 | Organic nitrogen compounds | Amines | Aralkylamines |
