Exact Mass: 126.0236
Exact Mass Matches: 126.0236
Found 154 metabolites which its exact mass value is equals to given mass value 126.0236,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
1,2,3-Trihydroxybenzene
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.
Maltol
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, 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 (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].
5-Hydroxymethyl-2-furancarboxaldehyde
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.
Benzyl chloride
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, 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].
Methyl 2-furoate
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.
4-Hydroxy-2H-pyran-3-carboxaldehyde
4-Hydroxy-2H-pyran-3-carboxaldehyde is found in fruits. 4-Hydroxy-2H-pyran-3-carboxaldehyde is a constituent of Punica granatum (pomegranate)
2-Acetylthiophene
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.
(Z)-Tamarindienal
(Z)-Tamarindienal is found in fruits. (Z)-Tamarindienal is a constituent of Tamarindus indica (tamarind)
3-Acetylthiophene
3-Acetylthiophene is a maillard product; organoleptic. Maillard product; organoleptic
2-(Methylthio)pyrazine
2-(Methylthio)pyrazine is a flavouring ingredient. Flavouring ingredient
Pyrazinemethanethiol
Liq. with roasted, meat-like flavour Liq. with roasted, meat-like flavou
5-Methylfuran-2-carboxylic acid
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.
Isomaltol
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 .
1,2,4-Trihydroxybenzene
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-Carboxy-2,4-pentadienal lactol|4-oxo-2-vinyl-crotonic acid|4-Oxo-2-vinyl-crotonsaeure
5-((Z)-2-Hydroxyethylidene)-2(5H)-furanone|5-[2-hydroxyethylidene]-2(5H)-furanone
phloroglucinol
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.
3-hydroxy-2-methyl-4-pyrone
A natural product found in Cordyceps sinensis.
METHYL FUROATE
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.
5-Methyl-2-thenaldehyde
5-Methyl-2-thiophenecarboxaldehyde acts as a candidate to microscopic third order non-linear optical (NLO) material[1].
Sodium 3-hydroxybutyrate
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].
(R)-3-Hydroxybutanoic acid sodium
(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].
Oxalic acid dihydrate
Oxalic acid dihydrate is an endogenous metabolite. Oxalic acid dihydrate is an endogenous metabolite.
Sodium Oxybate
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
Piral
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.
67-47-0
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
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
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
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].
1,2,4-BENZENETRIOL
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].
Methyl 2-furoate
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.
5-Methyl-2-furoic acid
A member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a methyl group.
2-formyl-5-methoxyfuran
{"Ingredient_id": "HBIN005630","Ingredient_name": "2-formyl-5-methoxyfuran","Alias": "NA","Ingredient_formula": "C6H6O3","Ingredient_Smile": "COC1=CC=C(O1)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39331","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydromethyl furaldehyde
{"Ingredient_id": "HBIN011564","Ingredient_name": "5-hydromethyl furaldehyde","Alias": "NA","Ingredient_formula": "C6H6O3","Ingredient_Smile": "C1=C(OC(=C1)C=O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38825","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
