Exact Mass: 126.0316926

Exact Mass Matches: 126.0316926

Found 500 metabolites which its exact mass value is equals to given mass value 126.0316926, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

1,2,3-Trihydroxybenzene

2,3-Dihydroxyphenol; Benzene-1,2,3-triol; NSC 5035

C6H6O3 (126.0316926)


1,2,3-trihydroxybenzene, also known as pyrogallic acid or 1,2,3-benzenetriol, is a member of the class of compounds known as 5-unsubstituted pyrrogallols. 5-unsubstituted pyrrogallols are pyrrogallols that are unsubstituted at th5-position of the benzene ring. 1,2,3-trihydroxybenzene is soluble (in water) and a very weakly acidic compound (based on its pKa). 1,2,3-trihydroxybenzene can be found in arabica coffee, beer, cocoa powder, and coffee, which makes 1,2,3-trihydroxybenzene a potential biomarker for the consumption of these food products. 1,2,3-trihydroxybenzene can be found primarily in blood, feces, and urine. 1,2,3-trihydroxybenzene is an organic compound with the formula C6H3(OH)3. It is a white water-soluble solid although samples are typically brownish because of its sensitivity toward oxygen. It is one of three isomeric benzenetriols . Pyrogallic acid is an odorless white to gray solid. Sinks and mixes with water. (USCG, 1999) Pyrogallol is a benzenetriol carrying hydroxy groups at positions 1, 2 and 3. It has a role as a plant metabolite. It is a phenolic donor and a benzenetriol. Pyrogallol is a natural product found in Gunnera perpensa, Nigella glandulifera, and other organisms with data available. A trihydroxybenzene or dihydroxy phenol that can be prepared by heating GALLIC ACID. See also: Stevia rebaudiuna Leaf (part of); Alchemilla monticola whole (part of); Agrimonia eupatoria flowering top (part of). 1,2,3-Trihydroxybenzene, or pyrogallol is a benzenetriol. It is a white crystalline powder and a powerful reducing agent. It was first prepared by Scheele 1786 by heating gallic acid. An alternate preparation is heating para-chlorophenoldisulphonic acid with potassium hydroxide. 1,2,3-Trihydroxybenzene has been found to be a metabolite of Aspergillus (https://www.tandfonline.com/doi/pdf/10.1080/00021369.1982.10865473). A benzenetriol carrying hydroxy groups at positions 1, 2 and 3. D020011 - Protective Agents > D000975 - Antioxidants Pyrogallol is a polyphenol compound, which has anti-fungal and anti-psoriatic properties. Pyrogallol is a reductant that is able to generate free radicals, in particular superoxide anions. Pyrogallol is a polyphenol compound, which has anti-fungal and anti-psoriatic properties. Pyrogallol is a reductant that is able to generate free radicals, in particular superoxide anions.

   

Melamine

2,4,6-triamino-1,3,5-triazine;melamine;1,3,5-triazine-2,4,6-triamine;[1,3,5]triazine-2,4,6-triamine;s-triazine, 4,6-diamino-1,2-dihydro-2-imino-;2,4,6-triamino-1,3,5-triazine melamine 1,3,5-triazine-2,4,6-triamine [1,3,5]triazine-2,4,6-triamine s-triazine, 4,6-diamino-1,2-dihydro-2-imino-

C3H6N6 (126.0653916)


Melamine is an organic base and a trimer of cyanamide, with a 1,3,5-triazine skeleton. Like cyanamide, it contains 66\\\% nitrogen by mass and, if mixed with resins, has fire retardant properties due to its release of nitrogen gas when burned or charred, and has several other industrial uses. Melamine is also a metabolite of cyromazine, a pesticide. It is formed in the body of mammals who have ingested cyromazine. It has been reported that cyromazine can also be converted to melamine in plants. Melamine is combined with formaldehyde to produce melamine resin, a very durable thermosetting plastic used in Formica, and melamine foam, a polymeric cleaning product. The end products include countertops, dry erase boards, fabrics, glues, housewares, dinnerware, cooking spoons, guitar saddles, guitar nuts, acoustic foam paneling, and flame retardants. Melamine is one of the major components in Pigment Yellow 150, a colorant in inks and plastics. Melamine is sometimes illegally added to food products in order to increase the apparent protein content. Standard tests, such as the Kjeldahl and Dumas tests, estimate protein levels by measuring the nitrogen content, so they can be misled by adding nitrogen-rich compounds such as melamine.There is an instrument (SPRINT) developed by the company CEM Corp that allows the determination of protein content directly in some applications; this cannot be fooled by adding melamine in the sample. Ultrasound-assisted extractive electrospray ionization mass spectrometry (EESI-MS) has been developed at ETH Zurich (Switzerland) by Zhu et al., (2008) for a rapid detection of melamine in untreated food samples. Ultrasounds are used to nebulize the melamine-containing liquids into a fine spray. The spray is then ionised by extractive electrospray ionisation (EESI) and analysed using tandem mass spectrometry (MS/MS). An analysis requires 30 seconds per sample. The limit of detection of melamine is a few nanograms of melamine per gram of milk. Crystallization and washing of melamine generates a considerable amount of waste water, which is a pollutant if discharged directly into the environment. The waste water may be concentrated into a solid (1.5-5\\\% of the weight) for easier disposal. The solid may contain approximately 70\\\% melamine, 23\\\% oxytriazines (ammeline, ammelide, and cyanuric acid), 0.7\\\% polycondensates (melem, melam, and melon). In the Eurotecnica process, however, there is no solid waste and the contaminants are decomposed to ammonia and carbon dioxide and sent as off gas to the upstream urea plant; accordingly, the waste water can be recycled to the melamine plant itself or used as clean cooling water make-up. Melamine also enters the fabrication of melamine poly-sulfonate used as superplasticizer for making high-resistance concrete. Sulfonated melamine formaldehyde (SMF) is a polymer used as cement admixture to reduce the water content in concrete while increasing the fluidity and the workability of the mix during its handling and pouring. It results in concrete with a lower porosity and a higher mechanical strength, exhibiting an improved resistance to aggressive environments and a longer life-time. Melamine appears as colorless to white monoclinic crystals or prisms or white powder. Sublimes when gently heated. (NTP, 1992) Melamine is a trimer of cyanamide, with a 1,3,5-triazine skeleton. It has a role as a xenobiotic metabolite. It is functionally related to a cyanamide. It is a conjugate base of a melamine(1+). Melamine is a natural product found in Euglena gracilis, Aeromonas veronii, and Apis cerana with data available. Melamine is an organic base and a trimer of cyanamide, with a 1,3,5-triazine skeleton. Like cyanamide, it contains 66\\\% nitrogen by mass and, if mixed with resins, has fire retardant properties due to its release of nitrogen gas when burned or charred, and has several other industrial uses. Melamine is also a metabolite of cyromazine, a pesticide. It is formed in the body of mammals who have ingested cyromazine. It has been reported that cyromazine can also be converted to melamine in plants. Melamine is described as Harmful if swallowed, inhaled or absorbed through the skin. Chronic exposure may cause cancer or reproductive damage. Eye, skin and respiratory irritant. However, the short-term lethal dose is on a par with common table salt with an LD50 of more than 3 grams per kilogram of bodyweight.[15] U.S. Food and Drug Administration (FDA) scientists explained that when melamine and cyanuric acid are absorbed into the bloodstream, they concentrate and interact in the urine-filled renal tubules, then crystallize and form large numbers of round, yellow crystals, which in turn block and damage the renal cells that line the tubes, causing the kidneys to malfunction. A trimer of cyanamide, with a 1,3,5-triazine skeleton. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3151 CONFIDENCE standard compound; INTERNAL_ID 8699 CONFIDENCE standard compound; INTERNAL_ID 3870 Melamine is a metabolite?of?cyromazine. Melamine is a intermediate for the synthesis of melamine resin and plastic materials[1].

   

2-Hydroxyethanesulfonate

2-HYDROXYETHANESULPHONIC ACID (80\\% IN WATER)

C2H6O4S (125.9986796)


2-Hydroxyethanesulfonate (also known as 2-Hydroxyethanesulfonic acid or isethionic acid) is an organosulfur compound containing a short chain alkane sulfonate linked to a hydroxyl group. It is a water-soluble liquid used in the manufacture of mild, biodegradable, and high-foaming anionic surfactants. These surfactants provide gentle cleansing and a soft skin feel. 2-Hydroxyethanesulfonate forms a colourless, syrupy, and strongly acidic liquid that can form detergents with oleic acid. 2-Hydroxyethanesulfonate is frequently used in the industrial production of taurine. Mammals are also able to endogenously synthesize 2-hydroxyethanesulfonate via taurine through a possible enzymatic deamination process (PMID: 14490797). 2-Hydroxyethanesulfonate can be found in both human plasma and urine (PMID: 1159536, PMID: 6066118). Higher plasma levels of 2-hydroxyethanesulfonate have been shown to be protective against type 2 diabetes. Isethionic acid is an alkanesulfonic acid in which the sulfo group is directly linked to a 2-hydroxyethyl group. It has a role as a human metabolite. It is a conjugate acid of an isethionate. Isethionic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). 2-Hydroxyethanesulfonic acid is a natural product found in Gayliella flaccida, Tichocarpus crinitus, and Trypanosoma brucei with data available. A colorless, syrupy, strongly acidic liquid that can form detergents with oleic acid. Isethionic acid C2H6O4S is a short chain alkane sulfonate containing hydroxy group, is a water soluble liquid used in the manufacture of mild, biodegradable and high foaming anionic surfactants which provides gentle cleansing and soft skin feel. An alkanesulfonic acid in which the sulfo group is directly linked to a 2-hydroxyethyl group. KEIO_ID I041

   

5-Aminoimidazole-4-carboxamide

5-Aminoimidazole-4-carboxamide ribotide

C4H6N4O (126.05415860000001)


5-Aminoimidazole-4-carboxamide is an imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases. -- Pubchem. An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases. -- Pubchem [HMDB] KEIO_ID A136 5-Amino-3H-imidazole-4-Carboxamide (AICA) is an important precursor for the synthesis of purines in general and of the nucleobases adenine and guanine in particular.

   

4-imidazoleacetate

Imidazole-4-acetic acid hydrochloride

C5H6N2O2 (126.04292559999999)


Imidazol-4-ylacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group. It has a role as a mouse metabolite. It is a monocarboxylic acid and a member of imidazoles. It derives from an acetic acid. It is a conjugate acid of an imidazol-4-ylacetate. It is a tautomer of an imidazol-5-ylacetic acid and a 2H-imidazol-4-ylacetic acid. Imidazoleacetic acid, also known as 4(5)-imidazoleacetate or IAA, belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. Imidazoleacetic acid exists in all living organisms, ranging from bacteria to humans. imidazoleacetic acid can be biosynthesized from imidazole-4-acetaldehyde through its interaction with the enzyme aldehyde dehydrogenase, mitochondrial. In humans, imidazoleacetic acid is involved in histidine metabolism. Outside of the human body, Imidazoleacetic acid has been detected, but not quantified in several different foods, such as chinese cinnamons, jostaberries, vanilla, butternut squash, and red rices. Imidazoleacetic acid is a potentially toxic compound. Imidazoleacetic acid is a metabolite product of Histamine metabolism. Imidazoleacetic acid, also known as 4(5)-imidazoleacetate or imac, belongs to imidazolyl carboxylic acids and derivatives class of compounds. Those are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. Imidazoleacetic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Imidazoleacetic acid can be found in a number of food items such as grapefruit, garden onion (variety), black crowberry, and yellow zucchini, which makes imidazoleacetic acid a potential biomarker for the consumption of these food products. Imidazoleacetic acid can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine. In humans, imidazoleacetic acid is involved in the histidine metabolism. Imidazoleacetic acid is also involved in histidinemia, which is a metabolic disorder. 1H-Imidazole-5-acetic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=645-65-8 (retrieved 2024-07-16) (CAS RN: 645-65-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Thymine

5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

C5H6N2O2 (126.04292559999999)


Thymine, also known as 5-methyluracil, belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Thymine was first isolated in 1893 by Albrecht Kossel and Albert Neumann from calves thymus glands, hence its name. Thymine is one of the 4 nuelcoebases found in DNA and is essential to all life. Thymine exists in all living species, ranging from bacteria to plants to humans. Thymine combined with deoxyribose creates the nucleoside deoxythymidine (also called thymidine) which when phosphorylated to dTDP can be incorporated into DNA via DNA polymerases. Thymidine can be phosphorylated with up to three phosphoric acid groups, producing dTMP (deoxythymidine monophosphate) dTDP and/or dTTP. In RNA thymine is replaced with uracil in most cases. In DNA, thymine binds to adenine via two hydrogen bonds to assist in stabilizing the nucleic acid structures. Within humans, thymine participates in a number of enzymatic reactions. In particular, thymine and deoxyribose 1-phosphate can be biosynthesized from thymidine through its interaction with the enzyme thymidine phosphorylase. In addition, thymine can be converted into dihydrothymine; which is mediated by the enzyme dihydropyrimidine dehydrogenase [NADP(+)]. One of the pyrimidine bases of living matter. Derivation: Hydrolysis of deoxyribonucleic acid, from methylcyanoacetylurea by catalytic reduction. Use: Biochemical research. (Hawleys Condensed Chemical Dictionary) Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus KEIO_ID T015 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM.

   

triacetate lactone

2-Hydroxy-6-methyl-4H-pyran-4-one

C6H6O3 (126.0316926)


   

Maltol

3-Hydroxy-2-methyl-4-pyrone; 3-Hydroxy-2-methyl-pyran-4-one; Maltol; Deferiprone Impurity B

C6H6O3 (126.0316926)


Maltol, also known as E636 or fema 2656, belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Some synthetic derivatives of maltol, developed at the University of Urbino, showed limited in vitro antiproliferative activity towards cancer cells lines, perhaps inducing apoptosis in these cells. Maltol is a sweet, baked, and bread tasting compound. Maltol has been detected, but not quantified, in several different foods, such as milk and milk products, nuts, soy beans, pepper (c. annuum), and coffee and coffee products. Maltols sweetness adds to the odor of freshly baked bread, and is used as a flavor enhancer (INS Number 636) in breads and cakes. Related to this property, maltol has been reported to greatly increase aluminum uptake in the body and to increase the oral bioavailability of gallium and iron. Maltol is a naturally occurring organic compound that is used primarily as a flavor enhancer. It is a white crystalline powder that is soluble in hot water, chloroform, and other polar solvents. Maltol is registered as a flavor component in the EU. Maltol, like related 3-hydroxy-4-pyrones such as kojic acid, binds to hard metal centers such as Fe3+, Ga3+, Al3+, and VO2+. It is known in the European E number food additive series as E636. Because it has the odor of cotton candy and caramel, maltol is used to impart a sweet aroma to fragrances. Maltol is a white crystalline powder with a fragrant caramel-butterscotch odor. pH (5\\\\% aqueous solution) 5.3. (NTP, 1992) 3-hydroxy-2-methyl-4-pyrone is a member of 4-pyranones. It has a role as a metabolite. Maltol is a natural product found in Cercidiphyllum japonicum, Coffea arabica, and other organisms with data available. 3-Hydroxy-2-methyl-4-pyrone is a metabolite found in or produced by Saccharomyces cerevisiae. Found in chicory, roasted malt, breads, milk, heated butter, uncured smoked pork, cocoa, coffee, roasted barley, roasted peanuts, roasted filbert, soybean etc. Flavour enhancer and flavouring agent C1907 - Drug, Natural Product > C28269 - Phytochemical Maltol, a type of aromatic compound, exists in high concentrations in red ginseng. Maltol is a potent antioxidative agent and typically is used to enhance flavor and preserve food[1]. Maltol, a type of aromatic compound, exists in high concentrations in red ginseng. Maltol is a potent antioxidative agent and typically is used to enhance flavor and preserve food[1].

   

1,3,5-Trihydroxybenzene

Phloroglucinol (1,3,5-benzenetriol)

C6H6O3 (126.0316926)


Phloroglucinol, also known as 1,3,5-benzenetriol or 1,3,5-trihydroxybenzene, belongs to phloroglucinols and derivatives class of compounds. Those are compounds containing a phloroglucinol (benzene-1,3,5-triol) moiety, which consists of a benzene ring bearing one hydroxyl group at positions 1,3, and 5. Phloroglucinol is soluble (in water) and a very weakly acidic compound (based on its pKa). Phloroglucinol can be found in a number of food items such as garden onion, tea, soft-necked garlic, and tarragon, which makes phloroglucinol a potential biomarker for the consumption of these food products. Phloroglucinol can be found primarily in feces. Phloroglucinol is an organic compound that is used in the synthesis of pharmaceuticals and explosives. It is a phenol derivative with antispasmodic properties that is used primarily as a laboratory reagent . Phloroglucinol is a benzenetriol. It is an organic compound that is used in the synthesis of pharmaceuticals and explosives. This molecule exists in two forms, or tautomers, 1,3,5-trihydroxybenzene, which has phenol-like, and 1,3,5-cyclohexanetrione (phloroglucin), which has ketone-like character. These two tautomers are in equilibrium. Phloroglucinol is a useful intermediate because it is polyfunctional. 1,3,5-Trihydroxybenzene has been found to be a metabolite in Pseudomonas (PMID: 15826166). A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

   

Hydroxyhydroquinone

1,2,4-Trihydroxybenzene

C6H6O3 (126.0316926)


1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1]. 1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1].

   

Toluene-cis-dihydrodiol

(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol

C7H10O2 (126.068076)


   

2-Hydroxyethylphosphonate

(2-Hydroxyethyl)phosphonic acid

C2H7O4P (126.0081952)


   

5-Hydroxymethyl-2-furancarboxaldehyde

5-(hydroxymethyl)furan-2-carbaldehyde;5-(Hydroxymethyl)furfural

C6H6O3 (126.0316926)


5-hydroxymethylfurfural is a member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. It has a role as an indicator and a Maillard reaction product. It is a member of furans, an arenecarbaldehyde and a primary alcohol. Aes-103 has been used in trials studying the treatment and prevention of Hypoxia, Anemia, Sickle Cell, and Sickle Cell Disease. 5-Hydroxymethylfurfural is a natural product found in Prunus mume, Tussilago farfara, and other organisms with data available. 5-Hydroxymethyl-2-furancarboxaldehyde belongs to the family of Furans. These are compounds containing a furan ring, which is a five-member aromatic ring with one oxygen atom, four carbon atoms. 5-Hydroxymethyl-2-furancarboxaldehyde is found in garden onion. Obtainable from various carbohydrates. 5-Hydroxymethyl-2-furancarboxaldehyde is present in tomatoes, tobacco oil etc. 5-Hydroxymethyl-2-furancarboxaldehyde is a constituent of numerous plant species. 5-Hydroxymethyl-2-furancarboxaldehyde is used as an index of heat treatment and deterioration in food such as tomato paste, honey and fruit juices. Also an indicator of adulteration with acid-converted invert sugars. 5-Hydroxymethylfurfural is a biomarker for the consumption of beer 5-Hydroxymethyl-2-furancarboxaldehyde or simply HMF is obtainable from various carbohydrates. It is found in garden tomatoes, garden onion, and tobacco oil. Constituent of numerous plant spp.. Used as an index of heat treatment and deterioration in food such as tomato paste, honey and fruit juices. Also an indicator of adulteration with acid-converted invert sugars. 5-Hydroxymethylfurfural is a biomarker for the consumption of beer. 5-Hydroxymethylfurfural (2-Hydroxymethyl-5-furfural), derived from Cornus officinalis, inhibits yeast growth and fermentation as stressors. 5-Hydroxymethylfurfural (2-Hydroxymethyl-5-furfural), derived from Cornus officinalis, inhibits yeast growth and fermentation as stressors.

   

1-Cyclohexene-1-carboxylic acid

1-Cyclohexenecarboxylic acid, ion (1-)-isomer

C7H10O2 (126.068076)


   

4-Chlorotoluene

4-Chlorotoluene, 38CL-labeled

C7H7Cl (126.0236252)


   

DIMETHYL SULFATE

DIMETHYL SULFATE

C2H6O4S (125.9986796)


D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens The dimethyl ester of sulfuric acid.

   

4-hydroxy-5-methyl-2-methylene-3(2H)-furanone

4-hydroxy-5-methyl-2-methylene-3(2H)-furanone

C6H6O3 (126.0316926)


   

Benzyl chloride

Benzyl chloride, 14C-labeled

C7H7Cl (126.0236252)


Benzyl chloride belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

   

5-Methyl-2-thiophenecarboxaldehyde

5-Methyl-2-thiophenecarboxaldehyde, analytical standard

C6H6OS (126.0139346)


5-Methyl-2-thiophenecarboxaldehyde, also known as 2-formyl-5-methylthiophene or 5-methyl-2-carboxaldehyde-thiophene, belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. 5-Methyl-2-thiophenecarboxaldehyde is a sweet, acetophenone, and almond tasting compound. 5-Methyl-2-thiophenecarboxaldehyde is a member of thiophenes. 5-Methyl-2-thiophenecarboxaldehyde is a natural product found in Nicotiana tabacum with data available. 5-methyl-2-thiophenecarboxaldehyde is a metabolite found in or produced by Saccharomyces cerevisiae. 5-Methyl-2-thiophenecarboxaldehyde acts as a candidate to microscopic third order non-linear optical (NLO) material[1].

   

2,4-Diamino-6-hydroxypyrimidine

2,6-diamino-1,4-dihydropyrimidin-4-one

C4H6N4O (126.05415860000001)


2,4-Diamino-6-hydroxypyrimidine (DAHP) is a selective inhibitor of GTP cyclohydrolase I (GTPCH) that restricts the de novo synthesis of tetrahydrobiopterin (BH4) or the BH4 precursor in vascular smooth muscle cells (VSMC). (PMID 12883322). 2,4-Diamino-6-hydroxypyrimidine also inhibits nitric oxide (NO) in both Interferon-gamma (IFN-gamma) and antigen (Ag)/IgE (Ag/IgE) systems, increasing Mast cells (MC) degranulation. (PMID 14514683). Sepiapterin, a precursor to tetrahydrobiopterin in the salvage pathway, completely reverses the effect of 2,4-diamino-6-hydroxypyrimidine on neuronal NO-synthase (nNOS) ubiquitylation. (PMID 16216381). 2,4-Diamino-6-hydroxypyrimidine (DAHP) is a selective inhibitor of GTP cyclohydrolase I (GTPCH) that restricts the de novo synthesis of tetrahydrobiopterin (BH4) or the BH4 precursor in vascular smooth muscle cells (VSMC). (PMID 12883322) D004791 - Enzyme Inhibitors

   

Methyl 2-furoate

Furan-alpha-carboxylic acid methyl ester

C6H6O3 (126.0316926)


Methyl 2-furoate, also known as fema 2703 or methyl pyromucate, belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. Methyl 2-furoate is a sweet, fruity, and fungal tasting compound. Methyl 2-furoate has been detected, but not quantified, in several different foods, such as fruits, coffee and coffee products, nuts, green vegetables, and cocoa and cocoa products. This could make methyl 2-furoate a potential biomarker for the consumption of these foods. It is used in food flavouring. Found in cranberries, guava fruits, raisins and other fruitsand is also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra (Hibiscus esculentus) and other foodstuffs. Methyl 2-furoate (Methyl furan-2-carboxylate) is a building block in chemical synthesis. A flavoring agent in food. Found in cranberries, guava fruits, raisins and other fruits. Also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra, etc. Methyl 2-furoate (Methyl furan-2-carboxylate) is a building block in chemical synthesis. A flavoring agent in food. Found in cranberries, guava fruits, raisins and other fruits. Also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra, etc.

   

Dimethylphosphate

Dimethyl phosphate, potassium salt

C2H7O4P (126.0081952)


Dimethylphosphate, also known as dimethyl hydrogen phosphate, is classified as a member of the Dialkyl phosphates. Dialkyl phosphates are organic compounds containing a phosphate group that is linked to exactly two alkyl chain. Dimethylphosphate is considered to be soluble (in water) and acidic. (ChemoSummarizer)

   

1H-Imidazole-1-acetic acid

2-(1H-imidazol-1-yl)acetic acid

C5H6N2O2 (126.04292559999999)


1H-Imidazole-1-acetic acid is found in mushrooms. 1H-Imidazole-1-acetic acid is isolated from Coprinus atramentarius (common ink cap Imidazol-1-yl-acetic acid is an endogenous metabolite.

   

4-Hydroxy-2H-pyran-3-carboxaldehyde

4-Hydroxy-2H-pyran-3-carboxaldehyde

C6H6O3 (126.0316926)


4-Hydroxy-2H-pyran-3-carboxaldehyde is found in fruits. 4-Hydroxy-2H-pyran-3-carboxaldehyde is a constituent of Punica granatum (pomegranate)

   

3,4-Dimethyl-1,2-cyclopentanedione

2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one

C7H10O2 (126.068076)


3,4-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3,4-Dimethyl-1,2-cyclopentanedione is a constituent of coffee. 3,4-Dimethyl-1,2-cyclopentanedione is a flavouring additive with sugary/maple/caramel taste. Constituent of coffee. Flavouring additive with sugary/maple/caramel taste. 3,4-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products.

   

Enol-3-Ethyl-1,2-cyclopentanedione

2-Cyclopenten-1-one, 2-hydroxy-3-ethyl

C7H10O2 (126.068076)


Enol-3-Ethyl-1,2-cyclopentanedione is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

xi-5-Isopropyl-2(5H)-furanone

5-(propan-2-yl)-2,5-dihydrofuran-2-one

C7H10O2 (126.068076)


xi-5-Isopropyl-2(5H)-furanone is found in fats and oils. xi-5-Isopropyl-2(5H)-furanone is a component of `hydrogenation flavour formed on storage of deodorised hydrogenated soybean oil. Component of `hydrogenation flavour formed on storage of deodorised hydrogenated soybean oil. xi-5-Isopropyl-2(5H)-furanone is found in fats and oils.

   

Ethyl hydrogen sulfate

Sulfuric acid, monoethyl ester

C2H6O4S (125.9986796)


Ethyl hydrogen sulfate is found in alcoholic beverages. Ethyl hydrogen sulfate is found in wine D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens

   

3-Methyl-1,2-cyclohexanedione

2-Hydroxy-3-methyl-2-cyclohexen-1-one

C7H10O2 (126.068076)


3-Methyl-1,2-cyclohexanedione is found in coffee and coffee products. 3-Methyl-1,2-cyclohexanedione is a constituent of coffee. 3-Methyl-1,2-cyclohexanedione is a flavouring ingredient. Constituent of coffee. Flavouring ingredient. 3-Methyl-1,2-cyclohexanedione is found in coffee and coffee products.

   

xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one

xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one

C7H10O2 (126.068076)


Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one is soluble (in water) and a very weakly acidic compound (based on its pKa). Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one can be found in herbs and spices, which makes xi-4-hydroxy-4-methyl-2-cyclohexen-1-one a potential biomarker for the consumption of this food product. xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is found in herbs and spices. xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is a constituent of Nigella sativa (black cumin) and peppermint oil (Mentha piperita).

   

3-Ethyl-1,2-cyclopentanedione

3-Ethyl-2-hydroxy-2-cyclopenten-1-one, 9ci

C7H10O2 (126.068076)


3-Ethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Ethyl-1,2-cyclopentanedione is isolated from coffee and tobacco. 3-Ethyl-1,2-cyclopentanedione is a flavouring material, with caramel flavour and flavour enhancing properties Isolated from coffee and tobacco. Flavouring material, with caramel flavour and flavour enhancing props. 3-Ethyl-1,2-cyclopentanedione is found in coffee and coffee products.

   

3,5-Dimethyl-1,2-cyclopentanedione

2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one, 9ci

C7H10O2 (126.068076)


3,5-Dimethyl-1,2-cyclopentanedione is found in animal foods. 3,5-Dimethyl-1,2-cyclopentanedione is a constituent of coffee and cooked cured pork. 3,5-Dimethyl-1,2-cyclopentanedione is a flavouring agent. Constituent of coffee and cooked cured pork. Flavouring agent. 3,5-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products and animal foods.

   

Methyl sorbate

2,4-Hexadienoic acid, methyl ester (9ci)

C7H10O2 (126.068076)


Methyl sorbate is a flavouring ingredien Flavouring ingredient

   

2-Acetylthiophene

2,5-DIMETHYL-BENZENESULFONIC ACID

C6H6OS (126.0139346)


2-Acetylthiophene, also known as 2-acetothienone or thiophene,2-acetyl, belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 2-Acetylthiophene is a sulfury tasting compound. 2-Acetylthiophene is found, on average, in the highest concentration within kohlrabis. 2-Acetylthiophene has also been detected, but not quantified, in asparagus. This could make 2-acetylthiophene a potential biomarker for the consumption of these foods. Organoleptic which contributes to several aromas. 2-Acetylthiophene is found in kohlrabi.

   

4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone

Laquo gammaraquo -vinyl-laquo gammaraquo -valerolactone

C7H10O2 (126.068076)


4-methyl-4-vinyl-gamma-butyrolactone is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. 4-methyl-4-vinyl-gamma-butyrolactone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-methyl-4-vinyl-gamma-butyrolactone has a fruity and minty taste. 4-methyl-4-vinyl-gamma-butyrolactone exists in all eukaryotes, ranging from yeast to humans. 4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

Ethylphosphate

Monoethyl phosphate, dipotassium salt

C2H7O4P (126.0081952)


Ethylphosphate is produced by the reaction between diethylphosphate and water, with ethanol as a byproduct. [HMDB] Ethylphosphate is produced by the reaction between diethylphosphate and water, with ethanol as a byproduct.

   

2-Ethyl-5-methylthiophene

2-Methyl-5-ethyl-thiophene

C7H10S (126.050318)


2-Ethyl-5-methylthiophene is found in animal foods. 2-Ethyl-5-methylthiophene is a maillard product. Organolepticpresent in cooked meat arom Maillard product. Organolepticpresent in cooked meat aroma. 2-Ethyl-5-methylthiophene is found in animal foods.

   

Allyl crotonate

Prop-2-en-1-yl (2Z)-but-2-enoic acid

C7H10O2 (126.068076)


Allyl crotonate is found in nuts. Allyl crotonate is found in roasted filberts (Corylus avellana Found in roasted filberts (Corylus avellana)

   

(Z)-Tamarindienal

(3E)-2,5-dioxohex-3-enal

C6H6O3 (126.0316926)


(Z)-Tamarindienal is found in fruits. (Z)-Tamarindienal is a constituent of Tamarindus indica (tamarind)

   

3-Acetylthiophene

1-(thiophen-3-yl)ethan-1-one

C6H6OS (126.0139346)


3-Acetylthiophene is a maillard product; organoleptic. Maillard product; organoleptic

   

2-(Methylthio)pyrazine

2-(Methylsulphanyl)pyrazine

C5H6N2S (126.02516759999999)


2-(Methylthio)pyrazine is a flavouring ingredient. Flavouring ingredient

   

2-Propylthiophene

thiophene, 2-propyl-

C7H10S (126.050318)


2-Propylthiophene is found in animal foods. 2-Propylthiophene is present in roast beef aroma. Present in roast beef aroma. 2-Propylthiophene is found in animal foods.

   

3-(3-Ethyloxiranyl)-2-propenal

(2E)-3-(3-ethyloxiran-2-yl)prop-2-enal

C7H10O2 (126.068076)


Lipid peroxidation product implicated in nonenzymic browning reactions of aminoacids and proteins. Reacts with lysine and lysine groups to form pyrrole adducts Lipid peroxidation product implicated in nonenzymic browning reactions of aminoacids and proteins. Reacts with lysine and lysine groups to form pyrrole adduct

   

Pyrazinemethanethiol

2-(Mercaptomethyl)pyrazine

C5H6N2S (126.02516759999999)


Liq. with roasted, meat-like flavour Liq. with roasted, meat-like flavou

   

2-(Ethoxymethyl)furan

2-Furfuryl ethyl ether

C7H10O2 (126.068076)


2-(Ethoxymethyl)furan is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive

   

5-Methylfuran-2-carboxylic acid

5-Methylfuran-2-carboxylic acid

C6H6O3 (126.0316926)


5-Methylfuran-2-carboxylic acid belongs to the family of Furoic Acid Derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.

   

2,3-Dimethylmaleic anhydride

dimethyl-2,5-dihydrofuran-2,5-dione

C6H6O3 (126.0316926)


   

3-(Hydroxymethyl)furan-2-carbaldehyde

3-(Hydroxymethyl)furan-2-carbaldehyde

C6H6O3 (126.0316926)


   

4-Amino-1H-imidazole-2-carboxamide

4-amino-3H-imidazole-2-carboxamide

C4H6N4O (126.05415860000001)


   

5-Methyl-1H-pyrazole-3-carboxylic acid

5-Methyl-1H-pyrazole-3-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

6-Methyluracil

6-Methyluracil, 14C-labeled

C5H6N2O2 (126.04292559999999)


   

Ethyl methylphosphonofluoridate

Ethyl methylphosphonofluoridic acid

C3H8FO2P (126.02459300000001)


   

Fluroxene

(2,2,2-trifluoroethoxy)ethene

C4H5F3O (126.0292476)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Isomaltol

1-(3-hydroxyfuran-2-yl)ethan-1-one

C6H6O3 (126.0316926)


Isomaltol is a member of the class of compounds known as aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. Isomaltol is soluble (in water) and a very weakly acidic compound (based on its pKa). Isomaltol can be found in tamarind, which makes isomaltol a potential biomarker for the consumption of this food product. Isomaltol is a natural furan obtained by the enzymatic degradation of starch. It is also a flavor component in bread crust, produced by thermal degradation (caramelization) of sugars. Isomaltol is obtained after the Maillard reaction from an amino acid and a reducing sugar .

   

6-Hydroxy-4-methyl-1-cyclohexene-3-one

6-Hydroxy-4-methyl-1-cyclohexene-3-one

C7H10O2 (126.068076)


   

2-Hydroxyethylphosphonic acid

2-HYDROXYETHYL PHOSPHONIC ACID

C2H7O4P (126.0081952)


   

Hepta-2,4(E,E)-dienoic acid

(2E,4E)-2,4-Heptadienoic acid

C7H10O2 (126.068076)


   

1,2,4-Trihydroxybenzene

1,2,4-Trihydroxybenzene

C6H6O3 (126.0316926)


1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1]. 1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1].

   

3-Hydroxy-1-methylpyridazin-6(1H)-one

3-Hydroxy-1-methylpyridazin-6(1H)-one

C5H6N2O2 (126.04292559999999)


   

2-methyl-1,3-cyclohexandione

2-methyl-1,3-Cyclohexanedione

C7H10O2 (126.068076)


   

4,4-DIMETHYL-5-METHYLENE-GAMMA-BUTYROLACTONE

4,4-DIMETHYL-5-METHYLENE-GAMMA-BUTYROLACTONE

C7H10O2 (126.068076)


   

3-hepten-2,5-dione

3-hepten-2,5-dione

C7H10O2 (126.068076)


   

methyluracil

1-METHYLURACIL

C5H6N2O2 (126.04292559999999)


A pyrimidone that is uracil with a methyl group substituent at position 1.

   

3,4,5-Trimethyl-2(5H)-furanone

3,4,5-Trimethyl-2(5H)-furanone

C7H10O2 (126.068076)


   

2-Hydroxy-3,4-dimethylcyclopent-2-en-1-one

2-Hydroxy-3,4-dimethylcyclopent-2-en-1-one

C7H10O2 (126.068076)


   

2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one

2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one

C7H10O2 (126.068076)


   

C(C=C(C=O)CC=O)=O

C(C=C(C=O)CC=O)=O

C6H6O3 (126.0316926)


   
   

2-Methylhexa-2,4-dienoic acid

2-Methylhexa-2,4-dienoic acid

C7H10O2 (126.068076)


   
   

methyl furan-3-carboxylate

methyl furan-3-carboxylate

C6H6O3 (126.0316926)


   

1-hydroxyethanesulfonic acid

1-hydroxyethanesulfonic acid

C2H6O4S (125.9986796)


   

5-methoxyfuran-2-carbaldehyde

5-methoxyfuran-2-carbaldehyde

C6H6O3 (126.0316926)


   
   

4-METHYLPYRAZOLE-3-CARBOXYLIC ACID

4-METHYLPYRAZOLE-3-CARBOXYLIC ACID

C5H6N2O2 (126.04292559999999)


   

3-METHOXYPYRAN-4-ONE

3-METHOXYPYRAN-4-ONE

C6H6O3 (126.0316926)


   

3-Carboxy-2,4-pentadienal lactol|4-oxo-2-vinyl-crotonic acid|4-Oxo-2-vinyl-crotonsaeure

3-Carboxy-2,4-pentadienal lactol|4-oxo-2-vinyl-crotonic acid|4-Oxo-2-vinyl-crotonsaeure

C6H6O3 (126.0316926)


   

hepta-2,4-dienoic acid

hepta-2,4-dienoic acid

C7H10O2 (126.068076)


   

2-Methoxy-3-methylcyclopent-2-en-1-one

2-Methoxy-3-methylcyclopent-2-en-1-one

C7H10O2 (126.068076)


   

2-hydroxy-3-methyl-4H-pyran-4-one

2-hydroxy-3-methyl-4H-pyran-4-one

C6H6O3 (126.0316926)


   

4-Amino-5H-imidazole-5-carboxamide

4-Amino-5H-imidazole-5-carboxamide

C4H6N4O (126.05415860000001)


   

6-hydroxy-2H-pyran-3-carbaldehyde

6-hydroxy-2H-pyran-3-carbaldehyde

C6H6O3 (126.0316926)


   

hept-4-trans-en,6-yne-2,3-diol

hept-4-trans-en,6-yne-2,3-diol

C7H10O2 (126.068076)


   

6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one

6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one

C6H6O3 (126.0316926)


   

1-Methylpyrazole-5-carboxylic Acid

1-methyl-1H-pyrazole-5-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

4-methylfuran-2-carboxylic acid

4-methylfuran-2-carboxylic acid

C6H6O3 (126.0316926)


   

(2E,4E)-6-hydroxy-5-methyl-2,4-hexadienal|(2E,4E)-6-hydroxy-5-methylhexa-2,4-dienal

(2E,4E)-6-hydroxy-5-methyl-2,4-hexadienal|(2E,4E)-6-hydroxy-5-methylhexa-2,4-dienal

C7H10O2 (126.068076)


   

5-methylfuran-3-carboxylic Acid

5-methylfuran-3-carboxylic Acid

C6H6O3 (126.0316926)


   

6-hydroxy-6-methylcyclohex-2-en-1-one

6-hydroxy-6-methylcyclohex-2-en-1-one

C7H10O2 (126.068076)


   

3-maleimide-5-oxime|3-Methyl-pyrrol-2,5-dion-5-oxim|3-methyl-pyrrole-2,5-dione-5-oxime

3-maleimide-5-oxime|3-Methyl-pyrrol-2,5-dion-5-oxim|3-methyl-pyrrole-2,5-dione-5-oxime

C5H6N2O2 (126.04292559999999)


   

5-Hydroxy-3-vinyl-2(5H)-furanone

5-Hydroxy-3-vinyl-2(5H)-furanone

C6H6O3 (126.0316926)


   

2-Cyclopentene-1-acetic acid

2-Cyclopentene-1-acetic acid

C7H10O2 (126.068076)


   

Methyl cyclopent-2-ene-1-carboxylate

Methyl cyclopent-2-ene-1-carboxylate

C7H10O2 (126.068076)


   

4-Ethyl-2-hydroxycyclopent-2-en-1-one

4-Ethyl-2-hydroxycyclopent-2-en-1-one

C7H10O2 (126.068076)


   

5-((Z)-2-Hydroxyethylidene)-2(5H)-furanone|5-[2-hydroxyethylidene]-2(5H)-furanone

5-((Z)-2-Hydroxyethylidene)-2(5H)-furanone|5-[2-hydroxyethylidene]-2(5H)-furanone

C6H6O3 (126.0316926)


   
   
   

Furyl hydroxymethyl ketone

Furyl hydroxymethyl ketone

C6H6O3 (126.0316926)


   

2-methylpyran-3,4-dione

2-methylpyran-3,4-dione

C6H6O3 (126.0316926)


   
   

5-Methylisoxazole-3-carboxamide

5-Methylisoxazole-3-carboxamide

C5H6N2O2 (126.04292559999999)


   

2,4-dimethyl-4,5-dihydrofuran-3-carbaldehyde

2,4-dimethyl-4,5-dihydrofuran-3-carbaldehyde

C7H10O2 (126.068076)


   

dimethylmaleic anhydride

2,3-DIMETHYLMALEIC ANHYDRIDE

C6H6O3 (126.0316926)


   

5-Hydroxy-2-methyl-4H-pyran-4-one

5-Hydroxy-2-methyl-4H-pyran-4-one

C6H6O3 (126.0316926)


   

2-oxohexa-4,5-cyclopropyl-5-enoate

2-oxohexa-4,5-cyclopropyl-5-enoate

C6H6O3 (126.0316926)


   

Melamine

Melamine

C3H6N6 (126.0653916)


CONFIDENCE standard compound; INTERNAL_ID 3870 CONFIDENCE Reference Standard (Level 1) Melamine is a metabolite?of?cyromazine. Melamine is a intermediate for the synthesis of melamine resin and plastic materials[1].

   
   

thymine

thymine

C5H6N2O2 (126.04292559999999)


A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RWQNBRDOKXIBIV_STSL_0176_Thymine_2000fmol_180506_S2_LC02_MS02_138; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM.

   
   

2,4-Diamino-6-hydroxypyrimidine

2,4-Diamino-6-hydroxypyrimidine

C4H6N4O (126.05415860000001)


   

4-Hydroxy-6-methyl-2-pyrone

4-Hydroxy-6-methyl-2-pyrone

C6H6O3 (126.0316926)


   

5-Aminoimidazole-4-carboxamide

5-Aminoimidazole-4-carboxamide

C4H6N4O (126.05415860000001)


An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4. 5-Amino-3H-imidazole-4-Carboxamide (AICA) is an important precursor for the synthesis of purines in general and of the nucleobases adenine and guanine in particular.

   
   

phloroglucinol

phloroglucinol

C6H6O3 (126.0316926)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents A benzenetriol with hydroxy groups at position 1, 3 and 5.

   

Benzene-1,2,4-triol

Benzene-1,2,4-triol

C6H6O3 (126.0316926)


   
   

Larixinic acid

Larixinic acid

C6H6O3 (126.0316926)


   

4-Hydroxy-6-Methylpyran-2-One

4-Hydroxy-6-Methylpyran-2-One

C6H6O3 (126.0316926)


   

1-Imidazoleacetic acid

1-Imidazoleacetic acid

C5H6N2O2 (126.04292559999999)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; QAFBDRSXXHEXGB-UHFFFAOYSA-N_STSL_0193_1-Imidazoleacetic acid_0031fmol_180831_S2_L02M02_52; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

1-Imidazoleacetic acid; LC-tDDA; CE10

1-Imidazoleacetic acid; LC-tDDA; CE10

C5H6N2O2 (126.04292559999999)


   

1-Imidazoleacetic acid; LC-tDDA; CE20

1-Imidazoleacetic acid; LC-tDDA; CE20

C5H6N2O2 (126.04292559999999)


   

4-Imidazoleacetic acid; AIF; CE10; CorrDec

4-Imidazoleacetic acid; AIF; CE10; CorrDec

C5H6N2O2 (126.04292559999999)


   

4-Imidazoleacetic acid; AIF; CE30; CorrDec

4-Imidazoleacetic acid; AIF; CE30; CorrDec

C5H6N2O2 (126.04292559999999)


   

4-Imidazoleacetic acid; AIF; CE0; MS2Dec

4-Imidazoleacetic acid; AIF; CE0; MS2Dec

C5H6N2O2 (126.04292559999999)


   

4-Imidazoleacetic acid; AIF; CE10; MS2Dec

4-Imidazoleacetic acid; AIF; CE10; MS2Dec

C5H6N2O2 (126.04292559999999)


   

4-Imidazoleacetic acid; AIF; CE30; MS2Dec

4-Imidazoleacetic acid; AIF; CE30; MS2Dec

C5H6N2O2 (126.04292559999999)


   

Thymidine (Thymine fragment); AIF; CE0; CorrDec

Thymidine (Thymine fragment); AIF; CE0; CorrDec

C5H6N2O2 (126.04292559999999)


   

Thymidine (Thymine fragment); AIF; CE10; CorrDec

Thymidine (Thymine fragment); AIF; CE10; CorrDec

C5H6N2O2 (126.04292559999999)


   

Thymidine (Thymine fragment); AIF; CE30; CorrDec

Thymidine (Thymine fragment); AIF; CE30; CorrDec

C5H6N2O2 (126.04292559999999)


   

Thymidine (Thymine fragment); AIF; CE0; MS2Dec

Thymidine (Thymine fragment); AIF; CE0; MS2Dec

C5H6N2O2 (126.04292559999999)


   

Thymidine (Thymine fragment); AIF; CE10; MS2Dec

Thymidine (Thymine fragment); AIF; CE10; MS2Dec

C5H6N2O2 (126.04292559999999)


   

Thymidine (Thymine fragment); AIF; CE30; MS2Dec

Thymidine (Thymine fragment); AIF; CE30; MS2Dec

C5H6N2O2 (126.04292559999999)


   
   

3-hydroxy-2-methyl-4-pyrone

3-hydroxy-2-methyl-4-pyrone

C6H6O3 (126.0316926)


A natural product found in Cordyceps sinensis.

   

Ethyl sulfate

Sulfuric acid, monoethyl ester

C2H6O4S (125.9986796)


D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens

   

Isethionic acid

Isethionic acid

C2H6O4S (125.9986796)


   
   

4-Hydroxy-6-Methylpyran-2-One_major

4-Hydroxy-6-Methylpyran-2-One_major

C6H6O3 (126.0316926)


   
   

Dimethylmaleic acid anhydride

Dimethylmaleic acid anhydride

C6H6O3 (126.0316926)


   

Dimethyl phosphate

Dimethyl hydrogen phosphate

C2H7O4P (126.0081952)


   

4-Methyl-3Z,5-hexadienoic acid

4-Methyl-3Z,5-hexadienoic acid

C7H10O2 (126.068076)


   

3-heptynoic acid

3-heptynoic acid

C7H10O2 (126.068076)


   

4-heptynoic acid

4-heptynoic acid

C7H10O2 (126.068076)


   

6-Heptynoic acid

6-Heptynoic acid

C7H10O2 (126.068076)


   

2-heptenedial

2-heptenedial

C7H10O2 (126.068076)


   

Methyl Sorbate

2,4-Hexadienoic acid, methyl ester (9ci)

C7H10O2 (126.068076)


   

2-Ethyl-5-methylthiophene

2-Methyl-5-ethyl-thiophene

C7H10S (126.050318)


   

METHYL FUROATE

Furan-α-carboxylic acid methyl ester

C6H6O3 (126.0316926)


Methyl 2-furoate (Methyl furan-2-carboxylate) is a building block in chemical synthesis. A flavoring agent in food. Found in cranberries, guava fruits, raisins and other fruits. Also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra, etc. Methyl 2-furoate (Methyl furan-2-carboxylate) is a building block in chemical synthesis. A flavoring agent in food. Found in cranberries, guava fruits, raisins and other fruits. Also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra, etc.

   

Enol-3-Ethyl-1,2-cyclopentanedione

2-Cyclopenten-1-one, 2-hydroxy-3-ethyl

C7H10O2 (126.068076)


   

3-Formyl-4-hydroxy-2H-pyran

4-Hydroxy-2H-pyran-3-carboxaldehyde

C6H6O3 (126.0316926)


   

Allyl crotonate

2-Butenoic acid, 2-propenyl ester

C7H10O2 (126.068076)


   

«

4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone

C7H10O2 (126.068076)


   

5-Methyl-2-thenaldehyde

Thiophen-2-carboxaldehyde, 5-methyl

C6H6OS (126.0139346)


5-Methyl-2-thiophenecarboxaldehyde acts as a candidate to microscopic third order non-linear optical (NLO) material[1].

   

2-Acetothienone

2,5-DIMETHYL-BENZENESULFONIC ACID

C6H6OS (126.0139346)


   

3-Acetothienone

1-(thiophen-3-yl)ethan-1-one

C6H6OS (126.0139346)


   

methylthio Pyrazine

2-(Methylsulfanyl)pyrazine

C5H6N2S (126.02516759999999)


   

2-Propylthiophene

2-N-PROPYL thiophene

C7H10S (126.050318)


   

4-hydroxy-4-methylcyclohex-2-en-1-one

xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one

C7H10O2 (126.068076)


   

4,5-Epoxy-2-heptenal

(2E)-3-(3-ethyloxiran-2-yl)prop-2-enal

C7H10O2 (126.068076)


   

Pyrazinemethanethiol

2-(Mercaptomethyl)pyrazine

C5H6N2S (126.02516759999999)


   

UNII:50AIF51OCI

2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one

C7H10O2 (126.068076)


   

FEMA 3269

2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one, 9ci

C7H10O2 (126.068076)


   

Ethyl furfuryl ether

2-Furfuryl ethyl ether

C7H10O2 (126.068076)


   

xi-5-Isopropyl-2(5H)-furanone

5-(propan-2-yl)-2,5-dihydrofuran-2-one

C7H10O2 (126.068076)


   

3E-Hepten-2,5-dione

3E-Hepten-2,5-dione

C7H10O2 (126.068076)


   

3Z-Hepten-2,5-dione

3Z-Hepten-2,5-dione

C7H10O2 (126.068076)


   

FA 7:2

(5R)-5beta-Vinyl-5-methyltetrahydrofuran-2-one

C7H10O2 (126.068076)


   

FAL 7:2;O

2-heptenedial

C7H10O2 (126.068076)


   

SFE 7:2

2,4-Hexadienoic acid,methyl ester

C7H10O2 (126.068076)


   

4,6-Dihydroxy-5-methylpyrimidine

4,6-Dihydroxy-5-methylpyrimidine

C5H6N2O2 (126.04292559999999)


   

1-(5-Methyl-2-furyl)ethanol

1-(5-Methyl-2-furyl)ethanol

C7H10O2 (126.068076)


   

3-Fluoro-2-methylpyridin-4-amine

3-Fluoro-2-methylpyridin-4-amine

C6H7FN2 (126.0593234)


   

Allyl methacrylate

Allyl methacrylate

C7H10O2 (126.068076)


   

tetramethylphosphanium,chloride

tetramethylphosphanium,chloride

C4H12ClP (126.0365112)


   

Ethyl 2-pentynoate

Ethyl 2-pentynoate

C7H10O2 (126.068076)


   
   

4-Oxocyclohexanecarbaldehyde

4-Oxocyclohexanecarbaldehyde

C7H10O2 (126.068076)


   
   
   
   

4-Methyl-1H-imidazole-2-carboxylic acid

4-Methyl-1H-imidazole-2-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

SPIRO[2.3]HEXANE-1-CARBOXYLIC ACID

SPIRO[2.3]HEXANE-1-CARBOXYLIC ACID

C7H10O2 (126.068076)


   

Methyl 3-cyclopentenecarboxylate

Methyl 3-cyclopentenecarboxylate

C7H10O2 (126.068076)


   
   
   

Pentane,1,1,1-trifluoro-

Pentane,1,1,1-trifluoro-

C5H9F3 (126.065631)


   

2-Methyl-4,6-dihydroxypyrimidine

2-Methyl-4,6-dihydroxypyrimidine

C5H6N2O2 (126.04292559999999)


   

Z-1-Methoxy-3,3,3-trifluoropropene

Z-1-Methoxy-3,3,3-trifluoropropene

C4H5F3O (126.0292476)


   

1H-pyrazole-4-carbohydrazide(SALTDATA: FREE)

1H-pyrazole-4-carbohydrazide(SALTDATA: FREE)

C4H6N4O (126.05415860000001)


   

4,4,4-Trifluorobut-2-en-1-ol

4,4,4-Trifluorobut-2-en-1-ol

C4H5F3O (126.0292476)


   

3-Amino-1H-pyrazole-4-carboxamide

3-Amino-1H-pyrazole-4-carboxamide

C4H6N4O (126.05415860000001)


   

sodium,3-hydroxybutanoate

sodium,3-hydroxybutanoate

C4H7NaO3 (126.0292872)


   

Pyrimidine, 5-(methylthio)- (8CI,9CI)

Pyrimidine, 5-(methylthio)- (8CI,9CI)

C5H6N2S (126.02516759999999)


   

UNII:TF4710DNP9

UNII:TF4710DNP9

C4H7NaO3 (126.0292872)


Sodium 2-hydroxybutanoate is an endogenous metabolite.

   

Benzene,1,2-diethynyl-(9CI)

Benzene,1,2-diethynyl-(9CI)

C10H6 (126.0469476)


   

6-Methyluracil

6-Methyluracil

C5H6N2O2 (126.04292559999999)


D020011 - Protective Agents > D011837 - Radiation-Protective Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents A pyrimidone that is uracil with a methyl group at position 6. D007155 - Immunologic Factors 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2]. 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2]. 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2].

   

Acetylcyclopentanone

Acetylcyclopentanone

C7H10O2 (126.068076)


   
   

2-Fluoro-3-pyridinemethanamine

2-Fluoro-3-pyridinemethanamine

C6H7FN2 (126.0593234)


   
   

6-Hydroxy-5-methyl-4(1H)-pyrimidinone

6-Hydroxy-5-methyl-4(1H)-pyrimidinone

C5H6N2O2 (126.04292559999999)


   

4-Hydroxy(2H4)benzaldehyde

4-Hydroxy(2H4)benzaldehyde

C7H2D4O2 (126.061886312)


   
   
   
   

4-hydroxy-3-methylpyran-2-one

4-hydroxy-3-methylpyran-2-one

C6H6O3 (126.0316926)


   

1-Cyclopropyl-1,3-butanedione

1-Cyclopropyl-1,3-butanedione

C7H10O2 (126.068076)


   

2-Methyl-1H-imidazole-4-carboxylic acid

2-Methyl-1H-imidazole-4-carboxylic acid

C5H6N2O2 (126.04292559999999)


   
   

2-methylthiophene-3-carbaldehyde

2-methylthiophene-3-carbaldehyde

C6H6OS (126.0139346)


   

2-Furanpropanol

2-Furanpropanol

C7H10O2 (126.068076)


   

2-Cyclopentylideneacetic acid

2-Cyclopentylideneacetic acid

C7H10O2 (126.068076)


   
   

Amitivir

Amitivir

C3H2N4S (126.0000172)


C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

2-(furan-3-yl)acetic acid

2-(furan-3-yl)acetic acid

C6H6O3 (126.0316926)


   
   

2(1H)-Pyrimidinethione, 5-methyl- (9CI)

2(1H)-Pyrimidinethione, 5-methyl- (9CI)

C5H6N2S (126.02516759999999)


   

(3-FLUORO-BENZOYLAMINO)-ACETICACID

(3-FLUORO-BENZOYLAMINO)-ACETICACID

C6H7FN2 (126.0593234)


   

3-AMINOMETHYL-5-FLUOROPYRIDINE

3-AMINOMETHYL-5-FLUOROPYRIDINE

C6H7FN2 (126.0593234)


   

1H-Pyrazole-3-carboxamide,4-amino-(9CI)

1H-Pyrazole-3-carboxamide,4-amino-(9CI)

C4H6N4O (126.05415860000001)


   

1,1-diacetylcyclopropane

1,1-diacetylcyclopropane

C7H10O2 (126.068076)


   

5-Fluoro-2-methylphenol

5-Fluoro-2-methylphenol

C7H7FO (126.0480904)


   

(4-Fluorophenyl)hydrazine

(4-Fluorophenyl)hydrazine

C6H7FN2 (126.0593234)


   

2-amino-5-fluoro-4-picoline

2-amino-5-fluoro-4-picoline

C6H7FN2 (126.0593234)


   

(1-METHYL-1H-PYRAZOL-3-YL)BORONIC ACID

(1-METHYL-1H-PYRAZOL-3-YL)BORONIC ACID

C4H7BN2O2 (126.0600552)


   

2H-Pyran-2,6(3H)-dione,4-methyl-

2H-Pyran-2,6(3H)-dione,4-methyl-

C6H6O3 (126.0316926)


   

3-Oxo-1-cyclopentene-1-carboxylic acid

3-Oxo-1-cyclopentene-1-carboxylic acid

C6H6O3 (126.0316926)


   
   

(1-Methyl-1H-imidazol-2-yl)boronic acid

(1-Methyl-1H-imidazol-2-yl)boronic acid

C4H7BN2O2 (126.0600552)


   

chloromethylbenzene

chloromethylbenzene

C7H7Cl (126.0236252)


   

5-Methyl-1,3-cyclohexanedione

5-Methyl-1,3-cyclohexanedione

C7H10O2 (126.068076)


   

4(1H)-Pyrimidinone, 6-methoxy- (9CI)

4(1H)-Pyrimidinone, 6-methoxy- (9CI)

C5H6N2O2 (126.04292559999999)


   

2-Fluorophenylhydrazine

2-Fluorophenylhydrazine

C6H7FN2 (126.0593234)


   

potassium,2-methylpropanoate

potassium,2-methylpropanoate

C4H7KO2 (126.0083102)


   

2-Furylacetic acid

2-(Furan-2-yl)acetic acid

C6H6O3 (126.0316926)


   

Acrylic anhydride

Acrylic anhydride

C6H6O3 (126.0316926)


   

4,4,4-TRIFLUOROBUTAN-2-ONE

4,4,4-TRIFLUOROBUTAN-2-ONE

C4H5F3O (126.0292476)


   

4-Mercaptophenol

4-Mercaptophenol

C6H6OS (126.0139346)


   
   

4H-Imidazole-4-carboxylic acid methyl ester

4H-Imidazole-4-carboxylic acid methyl ester

C5H6N2O2 (126.04292559999999)


   

3-oxabicyclo[2.2.2]octan-2-one

3-oxabicyclo[2.2.2]octan-2-one

C7H10O2 (126.068076)


   

2,3,5-Trimethylthiophene

2,3,5-Trimethylthiophene

C7H10S (126.050318)


   

3-fluoro-5-methylphenol

3-fluoro-5-methylphenol

C7H7FO (126.0480904)


   

[1,1-bi(cyclopropane)]-1-carboxylic acid

[1,1-bi(cyclopropane)]-1-carboxylic acid

C7H10O2 (126.068076)


   
   

3-Fluoro-6-Methyl-pyridin-2-ylamine

3-Fluoro-6-Methyl-pyridin-2-ylamine

C6H7FN2 (126.0593234)


   
   

5-ETHYL-3-METHYLENE-DIHYDRO-FURAN-2-ONE

5-ETHYL-3-METHYLENE-DIHYDRO-FURAN-2-ONE

C7H10O2 (126.068076)


   

cycloheptane-1,4-dione

cycloheptane-1,4-dione

C7H10O2 (126.068076)


   
   

(5-Methyl-2-furyl)boronic acid

(5-Methyl-2-furyl)boronic acid

C5H7BO3 (126.0488222)


   

1-Methyl-1H-imidazole-4-carboxylic acid

1-Methyl-1H-imidazole-4-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

1-Cyclopentene-1-carboxylic acid, 2-methyl- (6CI,9CI)

1-Cyclopentene-1-carboxylic acid, 2-methyl- (6CI,9CI)

C7H10O2 (126.068076)


   

5-fluoropyrimidine-2-carbaldehyde

5-fluoropyrimidine-2-carbaldehyde

C5H3FN2O (126.02293999999999)


   

Pyrimidine, 4-fluoro-2,6-dimethyl- (9CI)

Pyrimidine, 4-fluoro-2,6-dimethyl- (9CI)

C6H7FN2 (126.0593234)


   

4,4,4-Trifluorobutanal

4,4,4-Trifluorobutanal

C4H5F3O (126.0292476)


   
   

4-Amino-6-methyl-1,3,5-triazin-2-ol

4-Amino-6-methyl-1,3,5-triazin-2-ol

C4H6N4O (126.05415860000001)


   
   

dimethyl sulfate (13c2)

dimethyl sulfate (13c2)

C2H6O4S (125.9986796)


   

oxalic acid,dihydrate

oxalic acid,dihydrate

C2H6O6 (126.0164376)


   

Melamine-15N3

Melamine-15N3

C3H6N6 (126.0653916)


   

(6-fluoropyridin-3-yl)methanamine

(6-fluoropyridin-3-yl)methanamine

C6H7FN2 (126.0593234)


   

Methyl 2-hexynoate

Methyl 2-hexynoate

C7H10O2 (126.068076)


   

3-Methyl-1,2,4-cyclopentanetrione

3-Methyl-1,2,4-cyclopentanetrione

C6H6O3 (126.0316926)


   

2-Sulfanylphenol

2-Sulfanylphenol

C6H6OS (126.0139346)


   

3-Fluoro-4-methylphenol

3-Fluoro-4-methylphenol

C7H7FO (126.0480904)


   

Sodium 3-hydroxybutyrate

3-Hydroxybutyric acid sodium

C4H7NaO3 (126.0292872)


An organic sodium salt resulting from the replacement of the proton from the carboxy group of 3-hydroxybutyric acid by a sodium ion. 3-Hydroxybutyric acid sodium (β-Hydroxybutyric acid sodium) is a metabolite that is elevated in type I diabetes. 3-Hydroxybutyric acid sodium can modulate the properties of membrane lipids[1].

   

3-Cyclohexenecarboxylic acid

3-Cyclohexenecarboxylic acid

C7H10O2 (126.068076)


   

5-amino-1H-pyrazole-3-carboxamide(SALTDATA: HCl)

5-amino-1H-pyrazole-3-carboxamide(SALTDATA: HCl)

C4H6N4O (126.05415860000001)


   

alpha-Methyl-2-furanethanol

alpha-Methyl-2-furanethanol

C7H10O2 (126.068076)


   

3-Picoline,4-amino-5-fluoro-(8CI)

3-Picoline,4-amino-5-fluoro-(8CI)

C6H7FN2 (126.0593234)


   
   

2-Thiopheneacetaldehyde

2-Thiopheneacetaldehyde

C6H6OS (126.0139346)


   

Bicyclo[2.2.1]hepta-2,5-diene,7-chloro-

Bicyclo[2.2.1]hepta-2,5-diene,7-chloro-

C7H7Cl (126.0236252)


   

3-ethoxycyclopent-2-enone

3-ethoxycyclopent-2-enone

C7H10O2 (126.068076)


   
   

2-CYCLOPENTEN-1-ONE ETHYLENE KETAL

2-CYCLOPENTEN-1-ONE ETHYLENE KETAL

C7H10O2 (126.068076)


   
   

6-oxabicyclo[3.2.1]octan-7-one

6-oxabicyclo[3.2.1]octan-7-one

C7H10O2 (126.068076)


   

2-BORONO-2-CYCLOPENTENONE

2-BORONO-2-CYCLOPENTENONE

C5H7BO3 (126.0488222)


   

(S)-(-)-3-Cyclohexenecarboxylic acid

(S)-(-)-3-Cyclohexenecarboxylic acid

C7H10O2 (126.068076)


   

(2-fluoropyridin-4-yl)methanamine

(2-fluoropyridin-4-yl)methanamine

C6H7FN2 (126.0593234)


   

METHYL 3-METHYLENECYCLOBUTANECARBOXYLATE

METHYL 3-METHYLENECYCLOBUTANECARBOXYLATE

C7H10O2 (126.068076)


   

1,3,5-triazinane-2,4,6-triimine

1,3,5-triazinane-2,4,6-triimine

C3H6N6 (126.0653916)


   
   
   

3-Methylpyrazole-4-carboxylic acid

3-Methyl-1H-pyrazole-4-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

N-Hydroxy-2-furancarboximidamide

N-Hydroxy-2-furancarboximidamide

C5H6N2O2 (126.04292559999999)


   

2(1H)-Pyrimidinone, 5-(hydroxymethyl)- (9CI)

2(1H)-Pyrimidinone, 5-(hydroxymethyl)- (9CI)

C5H6N2O2 (126.04292559999999)


   
   

2-methylprop-2-enyl prop-2-enoate

2-methylprop-2-enyl prop-2-enoate

C7H10O2 (126.068076)


   

2(1H)-Pyrimidinethione,4-methyl-

2(1H)-Pyrimidinethione,4-methyl-

C5H6N2S (126.02516759999999)


   

3-n-Propylthiophene

3-n-Propylthiophene

C7H10S (126.050318)


   

2-Heptynoic acid

2-Heptynoic acid

C7H10O2 (126.068076)


   

3-amino-2-fluoro-4-picoline

3-amino-2-fluoro-4-picoline

C6H7FN2 (126.0593234)


   
   

(2-(2-CHLOROETHYL)PHENYL)METHANOL

(2-(2-CHLOROETHYL)PHENYL)METHANOL

C4H5F3O (126.0292476)


   

1H-Imidazole-5-carboxylicacid, hydrazide

1H-Imidazole-5-carboxylicacid, hydrazide

C4H6N4O (126.05415860000001)


   

5-methyl-1H-imidazole-4-carboxylic acid

1H-IMIDAZOLE-5-CARBOXYLIC ACID, 4-METHYL-

C5H6N2O2 (126.04292559999999)


   

4-Ethyl-5-fluoropyridine

4-Ethyl-5-fluoropyridine

C6H7FN2 (126.0593234)


   
   
   

(5-Methyl-1H-pyrazol-4-yl)boronic acid

(5-Methyl-1H-pyrazol-4-yl)boronic acid

C4H7BN2O2 (126.0600552)


   
   

2-thiophen-3-ylacetaldehyde

2-thiophen-3-ylacetaldehyde

C6H6OS (126.0139346)


   

potassium butyrate

potassium butyrate

C4H7KO2 (126.0083102)


   
   

5-Amino-2-fluoro-3-picoline

5-Amino-2-fluoro-3-picoline

C6H7FN2 (126.0593234)


   

3-Amino-6-fluoro-2-picoline

3-Amino-6-fluoro-2-picoline

C6H7FN2 (126.0593234)


   

3-Fluorobenzyl alcohol

3-Fluorobenzyl alcohol

C7H7FO (126.0480904)


   

4-Fluoro-3-methylphenol

4-Fluoro-3-methylphenol

C7H7FO (126.0480904)


   

4-Fluoro-2-methylphenol

4-Fluoro-2-methylphenol

C7H7FO (126.0480904)


   

3,4-diamino-1-fluorobenzene

3,4-diamino-1-fluorobenzene

C6H7FN2 (126.0593234)


   

Sodium (3S)-3-hydroxybutanoate

Sodium (3S)-3-hydroxybutanoate

C4H7NaO3 (126.0292872)


   

1-methyl-1H-pyrazole-4-carboxylic acid

1-methyl-1H-pyrazole-4-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

(R)-3-Hydroxybutanoic acid sodium

(R)-3-Hydroxybutanoic acid sodium

C4H7NaO3 (126.0292872)


(R)-3-Hydroxybutanoic acid sodium ((R)-3-Hydroxybutyric acid) is a metabolite converted from acetoacetic acid catalyzed by 3-hydroxybutyrate dehydrogenase. (R)-3-Hydroxybutanoic acid sodium can function as a nutrition source, and as a precursor for vitamins, antibiotics and pheromones[1][2].

   

ethyl 2-[(1E)-cyclopropylidene]acetate

ethyl 2-[(1E)-cyclopropylidene]acetate

C7H10O2 (126.068076)


   

1,3,5-triazine-2,4,6-triamine

1,3,5-triazine-2,4,6-triamine

C3H6N6 (126.0653916)


   

6-Amino-4-hydroxy-2(1H)-pyridinone

6-Amino-4-hydroxy-2(1H)-pyridinone

C5H6N2O2 (126.04292559999999)


   

sodium,(3R)-3-hydroxybutanoate

sodium,(3R)-3-hydroxybutanoate

C4H7NaO3 (126.0292872)


   

1-methyl-3-methylidenecyclobutane-1-carboxylic acid

1-methyl-3-methylidenecyclobutane-1-carboxylic acid

C7H10O2 (126.068076)


   
   

3,6-Pyridazinedione,1,2-dihydro-1-methyl-

3,6-Pyridazinedione,1,2-dihydro-1-methyl-

C5H6N2O2 (126.04292559999999)


   

o-fluorobenzyl alcohol

o-fluorobenzyl alcohol

C7H7FO (126.0480904)


   

4-Fluoroanisole

4-Fluorobenzyl alcohol

C7H7FO (126.0480904)


   

2-Fluoroanisole

2-Fluoroanisole

C7H7FO (126.0480904)


   

2-Amino-5-fluoro-3-methylpyridine

2-Amino-5-fluoro-3-methylpyridine

C6H7FN2 (126.0593234)


   

2-(TRIFLUOROMETHYL)PROPIONALDEHYDE

2-(TRIFLUOROMETHYL)PROPIONALDEHYDE

C4H5F3O (126.0292476)


   

1-Methylimidazole-5-carboxylic acid

1-Methylimidazole-5-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

1,4-Benzenediamine,2-fluoro-

1,4-Benzenediamine,2-fluoro-

C6H7FN2 (126.0593234)


   

1,3-Cycloheptanedione

1,3-Cycloheptanedione

C7H10O2 (126.068076)


   

2-Oxocyclohexanecarbaldehyde

2-Oxocyclohexanecarbaldehyde

C7H10O2 (126.068076)


   
   

1H-Imidazole-1-carboxylic acid, methyl ester (9CI)

1H-Imidazole-1-carboxylic acid, methyl ester (9CI)

C5H6N2O2 (126.04292559999999)


   

Ethanone, 1-(2-amino-5-oxazolyl)- (9CI)

Ethanone, 1-(2-amino-5-oxazolyl)- (9CI)

C5H6N2O2 (126.04292559999999)


   

Methyl 1H-pyrazole-3-carboxylate

Methyl 1H-pyrazole-3-carboxylate

C5H6N2O2 (126.04292559999999)


   

Methyl 5-hexynoate

Methyl 5-hexynoate

C7H10O2 (126.068076)


   

Propane,1,2-dichloro-2-methyl-

Propane,1,2-dichloro-2-methyl-

C4H8Cl2 (126.00030280000001)


   

4-Fluoro-1,3-benzenediamine

4-Fluoro-1,3-benzenediamine

C6H7FN2 (126.0593234)


   

2-Fluoro-6-methylphenol

2-Fluoro-6-methylphenol

C7H7FO (126.0480904)


   

1,1,1-Trifluoro-2-butanone

1,1,1-Trifluoro-2-butanone

C4H5F3O (126.0292476)


   

(1-Methyl-1H-pyrazol-5-yl)boronic acid

(1-Methyl-1H-pyrazol-5-yl)boronic acid

C4H7BN2O2 (126.0600552)


   

1,4-Diethynylbenzene

1,4-Diethynylbenzene

C10H6 (126.0469476)


   

3-Fluoro-1,2-benzenediamine

3-Fluoro-1,2-benzenediamine

C6H7FN2 (126.0593234)


   

4-Chloro-1H-pyrrole-2-carbonitrile

4-Chloro-1H-pyrrole-2-carbonitrile

C5H3ClN2 (125.9984748)


   

2-Fluoro-1,4-benzoquinone

2-Fluoro-1,4-benzoquinone

C6H3FO2 (126.011707)


   

4-(hydroxymethyl)furan-2-carbaldehyde

4-(hydroxymethyl)furan-2-carbaldehyde

C6H6O3 (126.0316926)


   

TERT-BUTYL PROPIOLATE

TERT-BUTYL PROPIOLATE

C7H10O2 (126.068076)


   
   

3-cyclopropylbut-2-enoic acid

3-cyclopropylbut-2-enoic acid

C7H10O2 (126.068076)


   

Methyl 1H-imidazole-2-carboxylate

Methyl 1H-imidazole-2-carboxylate

C5H6N2O2 (126.04292559999999)


   

4(3H)-Pyrimidinone, 6-(hydroxymethyl)- (6CI)

4(3H)-Pyrimidinone, 6-(hydroxymethyl)- (6CI)

C5H6N2O2 (126.04292559999999)


   

3-Methyl-2-furoic acid

3-Methyl-2-furoic acid

C6H6O3 (126.0316926)


   
   

3-Fluoroanisole

3-Fluoroanisole

C7H7FO (126.0480904)


   

1,3-DIETHYNYLBENZENE

1,3-DIETHYNYLBENZENE

C10H6 (126.0469476)


   

Methyl 1H-Pyrazole-4-Carboxylate

Methyl 1H-Pyrazole-4-Carboxylate

C5H6N2O2 (126.04292559999999)


   
   

4-Amino-5-fluoro-2-methylpyridine

4-Amino-5-fluoro-2-methylpyridine

C6H7FN2 (126.0593234)


   

2-Pyridinemethanamine,3-fluoro-(9CI)

2-Pyridinemethanamine,3-fluoro-(9CI)

C6H7FN2 (126.0593234)


   

MelaMine-13C3

MelaMine-13C3

C3H6N6 (126.0653916)


   

2-Ethyl-1,3-cyclopentanedione

2-Ethyl-1,3-cyclopentanedione

C7H10O2 (126.068076)


   
   

2-(hydroxymethylene)cyclohexanone

2-(hydroxymethylene)cyclohexanone

C7H10O2 (126.068076)


   

Levoglucosenone

Levoglucosenone

C6H6O3 (126.0316926)


   

N-HYDROXY-FURAN-2-CARBOXAMIDINE

N-HYDROXY-FURAN-2-CARBOXAMIDINE

C5H6N2O2 (126.04292559999999)


   

2-Fluoro-4-methylphenol

2-Fluoro-4-methylphenol

C7H7FO (126.0480904)


   

Methyl cyclopentene-1-carboxylate

Methyl cyclopentene-1-carboxylate

C7H10O2 (126.068076)


   

3-Methyluracil

3-Methyluracil

C5H6N2O2 (126.04292559999999)


A pyrimidone that is uracil with a methyl group at position 3.

   

1H-Pyrrole-2-carboxylicacid, 4-amino-

1H-Pyrrole-2-carboxylicacid, 4-amino-

C5H6N2O2 (126.04292559999999)


   

Pyrimidine, 2-methoxy-, 1-oxide (9CI)

Pyrimidine, 2-methoxy-, 1-oxide (9CI)

C5H6N2O2 (126.04292559999999)


   

Pyrimidine, 5-methoxy-, 1-oxide (9CI)

Pyrimidine, 5-methoxy-, 1-oxide (9CI)

C5H6N2O2 (126.04292559999999)


   

Oxalic acid dihydrate

Oxalic acid dihydrate

C2H6O6 (126.0164376)


Oxalic acid dihydrate is an endogenous metabolite. Oxalic acid dihydrate is an endogenous metabolite.

   

pent-4-ynyl acetate

pent-4-ynyl acetate

C7H10O2 (126.068076)


   

(3-Fluoropyridin-4-yl)methanamine

(3-Fluoropyridin-4-yl)methanamine

C6H7FN2 (126.0593234)


   

1-(6-Fluoro-2-pyridinyl)methanamine

1-(6-Fluoro-2-pyridinyl)methanamine

C6H7FN2 (126.0593234)


   

1-(4-Fluoro-2-pyridinyl)methanamine

1-(4-Fluoro-2-pyridinyl)methanamine

C6H7FN2 (126.0593234)


   

1-Methyl-1H-pyrazole-3-carboxylic acid

1-Methyl-1H-pyrazole-3-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

(Z)-3-Oxabicyclo[3.2.0]heptane-2,4-dione

(Z)-3-Oxabicyclo[3.2.0]heptane-2,4-dione

C6H6O3 (126.0316926)


   
   
   

1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C5H6N2O2 (126.04292559999999)


   

3-Methylisoxazole-5-carboxamide

3-Methylisoxazole-5-carboxamide

C5H6N2O2 (126.04292559999999)


   

3-AMINO-2-PYRROLECARBOXYLIC ACID

3-AMINO-2-PYRROLECARBOXYLIC ACID

C5H6N2O2 (126.04292559999999)


   

4,6-Dihydroxy-2-methylpyrimidine

4,6-Dihydroxy-2-methylpyrimidine

C5H6N2O2 (126.04292559999999)


   

3-Methylthiophene-2-aldehyde

3-Methylthiophene-2-aldehyde

C6H6OS (126.0139346)


   

2H-Pyran-4-ol, 4-ethynyltetrahydro- (9CI)

2H-Pyran-4-ol, 4-ethynyltetrahydro- (9CI)

C7H10O2 (126.068076)


   
   
   

1-Methyl-1H-imidazole-2-carboxylic acid

1-Methyl-1H-imidazole-2-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

(2-Fluoropyridin-3-yl)methanamine

(2-Fluoropyridin-3-yl)methanamine

C6H7FN2 (126.0593234)


   

5-Fluor-6-methylpyridin-2-amin

5-Fluor-6-methylpyridin-2-amin

C6H7FN2 (126.0593234)


   

2(1H)-Pyrazinone,1-hydroxy-3-methyl-(9CI)

2(1H)-Pyrazinone,1-hydroxy-3-methyl-(9CI)

C5H6N2O2 (126.04292559999999)


   
   

5-Amino-1H-pyrrole-2-carboxylic acid

5-Amino-1H-pyrrole-2-carboxylic acid

C5H6N2O2 (126.04292559999999)


   

(5-Methyl-1H-pyrazol-3-yl)boronic acid

(5-Methyl-1H-pyrazol-3-yl)boronic acid

C4H7BN2O2 (126.0600552)


   

4,5-Diamino-6-hydroxypyrimidine

4,5-Diamino-6-hydroxypyrimidine

C4H6N4O (126.05415860000001)


   
   
   
   

isoxazole-4-carbothioic acid amide

isoxazole-4-carbothioic acid amide

C4H6N4O (126.05415860000001)


   

6-Fluoro-4-methylpyridin-3-amine

6-Fluoro-4-methylpyridin-3-amine

C6H7FN2 (126.0593234)


   

3-Chlorotoluene

3-Chlorotoluene

C7H7Cl (126.0236252)


   

2-Chlorotoluene

2-Chlorotoluene

C7H7Cl (126.0236252)


   

Potassium 2-methyl-2-butanolate

Potassium 2-methyl-2-butanolate

C5H11KO (126.0446936)


   

2-methyl-3-furoic acid

2-methyl-3-furoic acid

C6H6O3 (126.0316926)


   

4-Methyl-2-thiophenecarbaldehyde

4-Methyl-2-thiophenecarbaldehyde

C6H6OS (126.0139346)


   

2-Fluoro-5-methylphenol

2-Fluoro-5-methylphenol

C7H7FO (126.0480904)


   

E-1-Methoxy-3,3,3-trifluoropropene

E-1-Methoxy-3,3,3-trifluoropropene

C4H5F3O (126.0292476)


   

2-Fluoro-3-methylphenol

2-Fluoro-3-methylphenol

C7H7FO (126.0480904)


   

3-Fluoro-o-cresol

3-Fluoro-o-cresol

C7H7FO (126.0480904)


   

3-methyl-5-oxo-1,2-dihydropyrazole-4-carbaldehyde

3-methyl-5-oxo-1,2-dihydropyrazole-4-carbaldehyde

C5H6N2O2 (126.04292559999999)


   

3-Methoxy-2-cyclohexen-1-one

3-Methoxy-2-cyclohexen-1-one

C7H10O2 (126.068076)


   
   

(1-Methyl-1H-pyrazol-4-yl)boronic acid

(1-Methyl-1H-pyrazol-4-yl)boronic acid

C4H7BN2O2 (126.0600552)


   

Perhydrocyclobuta[c]furan-1,3-dione

Perhydrocyclobuta[c]furan-1,3-dione

C6H6O3 (126.0316926)


   

3-fluoro-4-methylpyridin-2-amine

3-fluoro-4-methylpyridin-2-amine

C6H7FN2 (126.0593234)


   

Sodium Oxybate

Sodium Oxybate

C4H7NaO3 (126.0292872)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2199 - Adjuvant Analgesic N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general

   

2-(1H-Imidazol-2-yl)acetic acid

2-(1H-Imidazol-2-yl)acetic acid

C5H6N2O2 (126.04292559999999)


   
   

Isolevoglucosenone

Isolevoglucosenone

C6H6O3 (126.0316926)


   

5,5-Dimethyl-3-methylenedihydrofuran-2-one

5,5-Dimethyl-3-methylenedihydrofuran-2-one

C7H10O2 (126.068076)


   

Benzenesulfenic acid

Benzenesulfenic acid

C6H6OS (126.0139346)


   
   

Furfuryl formate

Furfuryl formate

C6H6O3 (126.0316926)


   

6-Amino-1-methyl-2-oxo-2,3-dihydropyrimidin-1-ium

6-Amino-1-methyl-2-oxo-2,3-dihydropyrimidin-1-ium

C5H8N3O+ (126.0667338)


   

Fluroxene

Fluroxene

C4H5F3O (126.0292476)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Piral

2,2,2\"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]

C6H6O3 (126.0316926)


D020011 - Protective Agents > D000975 - Antioxidants Pyrogallol is a polyphenol compound, which has anti-fungal and anti-psoriatic properties. Pyrogallol is a reductant that is able to generate free radicals, in particular superoxide anions. Pyrogallol is a polyphenol compound, which has anti-fungal and anti-psoriatic properties. Pyrogallol is a reductant that is able to generate free radicals, in particular superoxide anions.

   

CPD-16

4-06-00-07361 (Beilstein Handbook Reference)

C6H6O3 (126.0316926)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

   

67-47-0

InChI=1\C6H6O3\c7-3-5-1-2-6(4-8)9-5\h1-3,8H,4H

C6H6O3 (126.0316926)


5-Hydroxymethylfurfural (2-Hydroxymethyl-5-furfural), derived from Cornus officinalis, inhibits yeast growth and fermentation as stressors. 5-Hydroxymethylfurfural (2-Hydroxymethyl-5-furfural), derived from Cornus officinalis, inhibits yeast growth and fermentation as stressors.

   

AI3-23585

5-18-06-00103 (Beilstein Handbook Reference)

C6H6O3 (126.0316926)


Methyl 2-furoate (Methyl furan-2-carboxylate) is a building block in chemical synthesis. A flavoring agent in food. Found in cranberries, guava fruits, raisins and other fruits. Also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra, etc. Methyl 2-furoate (Methyl furan-2-carboxylate) is a building block in chemical synthesis. A flavoring agent in food. Found in cranberries, guava fruits, raisins and other fruits. Also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra, etc.

   

c0264

InChI=1\C6H6O3\c7-4-1-2-5(8)6(9)3-4\h1-3,7-9

C6H6O3 (126.0316926)


1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1]. 1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1].

   

Vetol

5-18-01-00114 (Beilstein Handbook Reference)

C6H6O3 (126.0316926)


C1907 - Drug, Natural Product > C28269 - Phytochemical Maltol, a type of aromatic compound, exists in high concentrations in red ginseng. Maltol is a potent antioxidative agent and typically is used to enhance flavor and preserve food[1]. Maltol, a type of aromatic compound, exists in high concentrations in red ginseng. Maltol is a potent antioxidative agent and typically is used to enhance flavor and preserve food[1].

   

WLN: G1R

Benzyl chloride, unstabilized [UN1738] [Poison, Corrosive]

C7H7Cl (126.0236252)


   

766-39-2

InChI=1\C6H6O3\c1-3-4(2)6(8)9-5(3)7\h1-2H

C6H6O3 (126.0316926)


   

Thymin

2,4(1H,3H)-Pyrimidinedione, 5-methyl-, labeled with tritium

C5H6N2O2 (126.04292559999999)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM.

   

Metacyl

InChI=1\C5H6N2O2\c1-3-2-4(8)7-5(9)6-3\h2H,1H3,(H2,6,7,8,9

C5H6N2O2 (126.04292559999999)


D020011 - Protective Agents > D011837 - Radiation-Protective Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D007155 - Immunologic Factors 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2]. 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2]. 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2].

   

77-78-1

4-01-00-01251 (Beilstein Handbook Reference)

C2H6O4S (125.9986796)


D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens

   

2-(2-Methylidenecyclopropyl)-2-oxoacetic acid

2-(2-Methylidenecyclopropyl)-2-oxoacetic acid

C6H6O3 (126.0316926)


   

1-Piperideine-2-carboxylate

1-Piperideine-2-carboxylate

C6H8NO2- (126.05550079999999)


A piperidinecarboxylate that is the conjugate base of 1-piperideine-2-carboxylic acid.

   

(S)-1-Piperideine-6-carboxylate

(S)-1-Piperideine-6-carboxylate

C6H8NO2- (126.05550079999999)


An optically active form of 1-piperideine-6-carboxylate having (S)-configuration. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

5-Hydroxypyrrole-2-carboxylate

5-Hydroxypyrrole-2-carboxylate

C5H4NO3- (126.0191174)


   

6,3-Dihydroxy-2-pyridinone

6,3-Dihydroxy-2-pyridinone

C5H4NO3- (126.0191174)


   

3-Methyl-pyrroline-5-carboxylate

3-Methyl-pyrroline-5-carboxylate

C6H8NO2- (126.05550079999999)


   

Methylhydrochinon

Methylhydrochinon

C7H10O2 (126.068076)


   

cis-Toluene dihydrodiol

cis-Toluene dihydrodiol

C7H10O2 (126.068076)


   

[(1R)-1-hydroxyethyl]phosphonic acid

[(1R)-1-hydroxyethyl]phosphonic acid

C2H7O4P (126.0081952)


   

1-Pyrroline-2-methyl-5-carboxylate

1-Pyrroline-2-methyl-5-carboxylate

C6H8NO2- (126.05550079999999)


   

4-Hydroxy-2H-pyran-3-carboxaldehyde

4-Hydroxy-2H-pyran-3-carboxaldehyde

C6H6O3 (126.0316926)


   

(3E)-5-hydroxy-2-oxohexa-3,5-dienal

(3E)-5-hydroxy-2-oxohexa-3,5-dienal

C6H6O3 (126.0316926)


   

2,3,4,5-Tetrahydropyridine-2-carboxylate

2,3,4,5-Tetrahydropyridine-2-carboxylate

C6H8NO2- (126.05550079999999)


   

2h-Imidazol-4-Ylacetic Acid

2h-Imidazol-4-Ylacetic Acid

C5H6N2O2 (126.04292559999999)


An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2H-imidazol-4-yl group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-Methyl-5-methylenefuran-3,4-dione

2-Methyl-5-methylenefuran-3,4-dione

C6H6O3 (126.0316926)


   

2-Hydroxyethyl hydrogen sulfite

2-Hydroxyethyl hydrogen sulfite

C2H6O4S (125.9986796)


   

4-Ethenyl-4-methyloxolan-2-one

4-Ethenyl-4-methyloxolan-2-one

C7H10O2 (126.068076)


   

Benzyl chloride

Benzyl chloride

C7H7Cl (126.0236252)


   

1,2,4-BENZENETRIOL

1,2,4-Trihydroxybenzene

C6H6O3 (126.0316926)


A benzenetriol carrying hydroxy groups at positions 1, 2 and 4. 1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1]. 1,2,4-Trihydroxybenzene (Hydroxyhydroquinone), a by-product of coffee bean roasting, increases intracellular Ca2+ concentration in rat thymic lymphocytes[1].

   

2-HYDROXYETHYL PHOSPHONIC ACID

(2-Hydroxyethyl)phosphonic acid

C2H7O4P (126.0081952)


   

(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol

(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol

C7H10O2 (126.068076)


   

ethyl dihydrogen phosphate

ethyl dihydrogen phosphate

C2H7O4P (126.0081952)


A monoalkyl phosphate epitope having ethyl as the alkyl group.

   

4-Chlorotoluene

4-Chlorotoluene

C7H7Cl (126.0236252)


   

1-Cyclohexenecarboxylic Acid

1-Cyclohexene-1-carboxylic acid

C7H10O2 (126.068076)


   

Methyl 2-furoate

Methyl 2-​furoate

C6H6O3 (126.0316926)


Methyl 2-furoate (Methyl furan-2-carboxylate) is a building block in chemical synthesis. A flavoring agent in food. Found in cranberries, guava fruits, raisins and other fruits. Also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra, etc. Methyl 2-furoate (Methyl furan-2-carboxylate) is a building block in chemical synthesis. A flavoring agent in food. Found in cranberries, guava fruits, raisins and other fruits. Also present in baked potato, roasted filberts, roasted peanut, tomatoes, coffee, cocoa, okra, etc.

   

3,5-Dimethyl-1,2-cyclopentanedione

3,5-Dimethyl-1,2-cyclopentanedione

C7H10O2 (126.068076)


   

2-ACETYLTHIOPHENE

2,5-DIMETHYL-BENZENESULFONIC ACID

C6H6OS (126.0139346)


   

3-Ethyl-2-hydroxy-2-cyclopenten-1-one

3-Ethyl-2-hydroxy-2-cyclopenten-1-one

C7H10O2 (126.068076)


   

2,6-Diaminopyrimidin-4-ol

2,4-Diamino-6-hydroxypyrimidine

C4H6N4O (126.05415860000001)


D004791 - Enzyme Inhibitors

   
   
   

coffee dione

3-Methylcyclohexane-1,2-dione

C7H10O2 (126.068076)


   

2(3H)-Furanone, 5-ethenyldihydro-5-methyl-

2(3H)-Furanone, 5-ethenyldihydro-5-methyl-

C7H10O2 (126.068076)


   

5-methyl-pyrazole-3-carboxylic acid

5-methyl-pyrazole-3-carboxylic acid

C5H6N2O2 (126.04292559999999)


A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively.

   

3-Acetylthiophene

3-Acetylthiophene

C6H6OS (126.0139346)


   

5-Methyl-2-furoic acid

5-Methylfuran-2-carboxylic acid

C6H6O3 (126.0316926)


A member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a methyl group.

   

imidazol-1-ylacetic acid

imidazol-1-ylacetic acid

C5H6N2O2 (126.04292559999999)


An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group.

   

2(5H)-Furanone, 5-(1-methylethyl)-

2(5H)-Furanone, 5-(1-methylethyl)-

C7H10O2 (126.068076)


   

(Z)-Tamarindienal

(Z)-Tamarindienal

C6H6O3 (126.0316926)


   

1-methyl-pyrazole-5-carboxylic acid

1-methyl-pyrazole-5-carboxylic acid

C5H6N2O2 (126.04292559999999)


A member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group substituents at position 5.

   

4-methyl-pyrazole-3-carboxylic acid

4-methyl-pyrazole-3-carboxylic acid

C5H6N2O2 (126.04292559999999)


A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 4 and 3 respectively.

   

1-Piperideine-6-carboxylate

1-Piperideine-6-carboxylate

C6H8NO2 (126.05550079999999)


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 1-piperideine-6-carboxylic acid.

   

imidazol-2-ylacetic acid

imidazol-2-ylacetic acid

C5H6N2O2 (126.04292559999999)


A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-2-yl group.

   

5-methyl-imidazole-2-carboxylic acid

5-methyl-imidazole-2-carboxylic acid

C5H6N2O2 (126.04292559999999)


An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 2 respectively.

   

1-methyl-pyrazole-3-carboxylic acid

1-methyl-pyrazole-3-carboxylic acid

C5H6N2O2 (126.04292559999999)


A member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 3.

   

1-methyl-pyrazole-4-carboxylic acid

1-methyl-pyrazole-4-carboxylic acid

C5H6N2O2 (126.04292559999999)


A member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 4.

   

3-methyl-pyrazole-4-carboxylic acid

3-methyl-pyrazole-4-carboxylic acid

C5H6N2O2 (126.04292559999999)


A member of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 3 and 4 respectively.

   

1-methyl-imidazole-2-carboxylic acid

1-methyl-imidazole-2-carboxylic acid

C5H6N2O2 (126.04292559999999)


An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 1 and 2 respectively.

   

5-methyl-imidazole-4-carboxylic acid

5-methyl-imidazole-4-carboxylic acid

C5H6N2O2 (126.04292559999999)


An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 4 respectively.

   

imidazol-5-ylacetic acid

imidazol-5-ylacetic acid

C5H6N2O2 (126.04292559999999)


A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.

   

Imidazol-4-ylacetic acid

Imidazol-4-ylacetic acid

C5H6N2O2 (126.04292559999999)


A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group.

   
   

Hydroxyethylphosphonic acid

Hydroxyethylphosphonic acid

C2H7O4P (126.0081952)


   

Hydroxyethanesulfonate

Hydroxyethanesulfonate

C2H6O4S (125.9986796)


   

Hydroxymethylfurancarboxaldehyde

Hydroxymethylfurancarboxaldehyde

C6H6O3 (126.0316926)


   
   

5-hydroxy-3-methylidene-2h-furan-2-carbaldehyde

5-hydroxy-3-methylidene-2h-furan-2-carbaldehyde

C6H6O3 (126.0316926)