Exact Mass: 109.9956972
Exact Mass Matches: 109.9956972
Found 128 metabolites which its exact mass value is equals to given mass value 109.9956972,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1,3-Benzenediol
1,3-Benzenediol, also known as resorcin or m-hydroquinone, belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. 1,3-Benzenediol exists in all living organisms, ranging from bacteria to humans. 1,3-Benzenediol is a creamy, hawthorn, and musty tasting compound. 1,3-Benzenediol has been detected, but not quantified, in several different foods, such as alcoholic beverages, cereals and cereal products, coffee and coffee products, eggplants, and java plums. This could make 1,3-benzenediol a potential biomarker for the consumption of these foods. 1,3-Benzenediol is a potentially toxic compound. In addition, exogenous ochronosis is associated with prolonged exposure to resorcinol . Data regarding the specific mechanisms of action of resorcinol does not appear to be readily accessible in the literature. Nevertheless, the role played by iodide ions in the irreversible inactivation of the enzymes is not yet fully elucidated . Resorcinol works by helping to remove hard, scaly, or roughened skin. In particular, it appears that resorcinol indicated for treating acne, dermatitis, or eczema in various skin care topical applications and peels revolves around the compounds ability to precipitate cutaneous proteins from the treated skin . In LPO and TPO, the resulting π-cation radical of the porphyrin can isomerize to a radical cation with the radical in an aromatic side chain of the enzyme . In vitro and in vivo studies have demonstrated that resorcinol can inhibit peroxidases in the thyroid and subsequently block the synthesis of thyroid hormones and cause goiter . Present in roasted barley, cane molasses, coffee, beer and wine. Flavouring ingredient. 1,3-Benzenediol is found in many foods, some of which are cereals and cereal products, coffee and coffee products, alcoholic beverages, and java plum. D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
Catechol
A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. Acquisition and generation of the data is financially supported in part by CREST/JST.
Hydroquinone
Hydroquinone, also benzene-1,4-diol, is an aromatic organic compound which is a type of phenol, having the chemical formula C6H4(OH)2. Its chemical structure has two hydroxyl groups bonded to a benzene ring in a para position. Hydroquinone is commonly used as a biomarker for benzene exposure. The presence of hydroquinone in normal individuals stems mainly from direct dietary ingestion, catabolism of tyrosine and other substrates by gut bacteria, ingestion of arbutin containing foods, cigarette smoking, and the use of some over-the-counter medicines. Hydroquinone is a white granular solid at room temperature and pressure. The hydroxyl groups of hydroquinone are quite weakly acidic. Hydroquinone can lose an H+ from one of the hydroxyls to form a monophenolate ion or lose an H+ from both to form a diphenolate ion. Hydroquinone has a variety of uses principally associated with its action as a reducing agent which is soluble in water. It is a major component in most photographic developers where, with the compound Metol, it reduces silver halides to elemental silver. [HMDB]. Hydroquinone is found in many foods, some of which are kai-lan, agar, red bell pepper, and jostaberry. Hydroquinone, also known as benzene-1,4-diol, is an aromatic organic compound which is a type of phenol, having the chemical formula C6H4(OH)2. Its chemical structure has two hydroxyl groups bonded to a benzene ring in a para position. Hydroquinone is commonly used as a biomarker for benzene exposure. The presence of hydroquinone in normal individuals stems mainly from direct dietary ingestion, catabolism of tyrosine and other substrates by gut bacteria, ingestion of arbutin-containing foods, cigarette smoking, and the use of some over-the-counter medicines. Hydroquinone is a white granular solid at room temperature and pressure. The hydroxyl groups of hydroquinone are quite weakly acidic. Hydroquinone can lose an H+ from one of the hydroxyls to form a monophenolate ion or lose an H+ from both to form a diphenolate ion. Hydroquinone has a variety of uses principally associated with its action as a reducing agent which is soluble in water. It is a major component of most photographic developers where, with the compound Metol, it reduces silver halides to elemental silver. D020011 - Protective Agents > D011837 - Radiation-Protective Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D009153 - Mutagens D - Dermatologicals
Dimethyl selenide
Constituent of Allium subspecies Dimethyl selenide is found in many foods, some of which are breadnut tree seed, buffalo currant, guava, and muskmelon. Dimethyl selenide is found in onion-family vegetables. Dimethyl selenide is a constituent of Allium species.
1,3-Dichloropropene
1,3-Dichloropropene, also known as Telone or simply 1,3-D, is a colorless liquid with a sweet smell. It exists as a mixture of the geometric isomers cis-1,3-dichloropropene and trans-1,3-dichloropropene. It dissolves in water and evaporates easily. It is used mainly in farming as a pesticide, specifically as a preplant fumigant and nematicide. It widely used in the US and other countries, but in the process of being phased out in the European Union. [HMDB] 1,3-Dichloropropene, also known as Telone or simply 1,3-D, is a colorless liquid with a sweet smell. It exists as a mixture of the geometric isomers cis-1,3-dichloropropene and trans-1,3-dichloropropene. It dissolves in water and evaporates easily. It is used mainly in farming as a pesticide, specifically as a preplant fumigant and nematicide. It widely used in the US and other countries, but in the process of being phased out in the European Union. D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
5-Methyl-2-furancarboxaldehyde
5-Methyl-2-furancarboxaldehyde, also known as 5-methyl-2-furfural or 2-formyl-5-methylfuran, belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 5-Methyl-2-furancarboxaldehyde is an almond, burnt sugar, and caramel tasting compound. 5-methyl-2-furancarboxaldehyde has been detected, but not quantified, in several different foods, such as green bell peppers, red bell peppers, pepper (c. frutescens), orange bell peppers, and pepper (c. annuum). This could make 5-methyl-2-furancarboxaldehyde a potential biomarker for the consumption of these foods. Isolated from brown algae and other plant sources, doubtless as a secondary production from saccharides. Flavouring ingredient. 5-Methyl-2-furancarboxaldehyde is found in many foods, some of which are pepper (c. frutescens), yellow bell pepper, red bell pepper, and pepper (c. annuum).
Glycerol alpha-monochlorohydrin
Glycerol alpha-monochlorohydrin is found in herbs and spices. By-product of vegetable protein hydrolysed by HCl. Identified in some soy sauce product D010575 - Pesticides > D002629 - Chemosterilants D016573 - Agrochemicals
Methyl methanesulfonate
D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents
Pyrocatechol
Pyrocatechol, often known as catechol or benzene-1,2-diol, is a benzenediol, with formula C6H4(OH)2. It was first prepared in 1839 by H. Reinsch by distilling catechin (the juice of Mimosa catechu). This colourless compound occurs naturally, but about 20000 tons are manufactured each year, mainly as precursors to pesticides, flavors, and fragrances. Its sulfonic acid is often present in the urine of many mammals. Small amounts of catechol occur naturally in fruits and vegetables, along with the enzyme polyphenol oxidase. Upon mixing the enzyme with the substrate and exposure to oxygen (as when a potato or apple is cut), the colorless catechol oxidizes to reddish-brown benzoquinone derivatives. The enzyme is inactivated by adding an acid, such as lemon juice, or by refrigeration. Excluding oxygen also prevents the browning reaction. Catechol melts at 28 °C and boils at 250 °C. It is employed in medicine as an expectorant. The dimethyl ether or veratrol is also used in medicine. Many other pyrocatechin derivatives have been suggested for therapeutic application. Pyrocatechol has also been found to be a microbial metabolite in Escherichia, Mycobacterium and Pseudomonas (PMID:19300498; PMID:25281236). Constituent of variety foodstuffs especies coffee, cocoa, bread crust, roasted malt and beer; Isolated from various plant sources and by hydrolysis of tannins (CCD). 1,2-Benzenediol is found in many foods, some of which are chervil, black raspberry, swede, and wasabi. CONFIDENCE standard compound; INTERNAL_ID 120
(E,E)-2,4-Hexadienedial
(E,E)-2,4-Hexadienedial is found in cereals and cereal products. (E,E)-2,4-Hexadienedial is a stress metabolite isolated from the leaves of the pseudocereal Chenopodium albu
Benzenethiol
Benzenethiol is a flavouring agent Thiophenol is a chemical compound with the formula C6H5SH, and sometimes abbreviated as PhSH. The foul-smelling liquid is the principal aromatic thiol. The chemical structures of thiophenols are analogous to phenols except the oxygen atom in the hydroxyl group (-OH) bonded to the aromatic ring is replaced by a sulfur atom. The prefix thio- implies a sulfur-containing compound and when used before a root word name for a compound which would normally contain an oxygen atom, thio- commonly means that the oxygen atom is replaced by a sulfur atom. Thiophenols also describes a class of compounds formally derived from thiophenol itself. All have a sulfhydryl group (-SH) covalently bonded to an aromatic ring. The organosulfur ligand in medicine merthiolate is a thiophenol. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics Flavouring agent
S-Methyl methanesulfinothioate
S-Methyl methanesulfinothioate is found in garden onion. S-Methyl methanesulfinothioate is a constituent of Allium species. Constituent of Allium subspecies S-Methyl methanesulfinothioate is found in garden onion and onion-family vegetables.
2-Acetylfuran
2-Acetylfuran, also known as 2-furylethanone or 2-acetofurone, 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-Acetylfuran is a sweet, almond, and balsamic tasting compound. 2-Acetylfuran is found, on average, in the highest concentration within kohlrabis. 2-Acetylfuran has also been detected, but not quantified, in several different foods, such as green vegetables, alcoholic beverages, cereals and cereal products, white mustards, and green bell peppers. Present in cooked apple, morello cherry, wine grapes, peach, strawberry, plum, rabbiteye blueberry, asparagus, kohlrabi, baked potato, pineapple, bread products, rice, yoghurt, wines, soybean, black tea and calamus (European origin). Contributes to aroma of many foods and beverages. It is used in flavour compositions. 2-Acetylfuran is found in many foods, some of which are orange bell pepper, brassicas, pepper (c. annuum), and fruits. 2-Acetylfuran (2-Furyl methyl ketone), an important flavour compound or intermediate in foods, is isolated from essential oils, sweet corn products, fruits and flowers. 2-Acetylfuran also can be formed from glucose and glycine by Maillard reaction. 2-Acetylfuran can be used to synthesis Cefuroxime[1][2].
(5Z)-5-ethylidenefuran-2(5H)-one|(Z)-5-Ethylidene-2(5H)-furanone|(Z)-5-ethylidene-2(5H)furanone
Resorcine
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
5-Methyl-2-furancarboxaldehyde
5-Methyl-2-furancarboxaldehyde, also known as 5-methyl-2-furfural or 2-formyl-5-methylfuran, belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 5-Methyl-2-furancarboxaldehyde is an almond, burnt sugar, and caramel tasting compound. 5-methyl-2-furancarboxaldehyde has been detected, but not quantified, in several different foods, such as green bell peppers, red bell peppers, pepper (c. frutescens), orange bell peppers, and pepper (c. annuum). This could make 5-methyl-2-furancarboxaldehyde a potential biomarker for the consumption of these foods. 5-methyl-2-furaldehyde is a member of furans and an aldehyde. It has a role as a Maillard reaction product, a human metabolite, an EC 2.2.1.6 (acetolactate synthase) inhibitor and a flavouring agent. 5-Methylfurfural is a natural product found in Campsis grandiflora, Castanopsis cuspidata, and other organisms with data available. 5-methyl-2-furancarboxaldehyde is a metabolite found in or produced by Saccharomyces cerevisiae. Isolated from brown algae and other plant sources, doubtless as a secondary production from saccharides. Flavouring ingredient. 5-Methyl-2-furancarboxaldehyde is found in many foods, some of which are pepper (c. frutescens), yellow bell pepper, red bell pepper, and pepper (c. annuum).
D-D 92
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Acetylfuran
2-Acetylfuran (2-Furyl methyl ketone), an important flavour compound or intermediate in foods, is isolated from essential oils, sweet corn products, fruits and flowers. 2-Acetylfuran also can be formed from glucose and glycine by Maillard reaction. 2-Acetylfuran can be used to synthesis Cefuroxime[1][2].
Thiofenol
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
aminoguanidine hydrochloride
C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor D004791 - Enzyme Inhibitors
Sodium butyrate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Sodium pyruvate
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Sodium 2-oxopropanoate (Sodium pyruvate), a three-carbon metabolite of Glucose, is a compound produced in the glycolytic pathway. Sodium 2-oxopropanoate is a free radical scavenger that can scavenge ROS[1][2].
Artra
D020011 - Protective Agents > D011837 - Radiation-Protective Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D009153 - Mutagens D - Dermatologicals
Acnomel
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
Iron hydroxide (fe(OH)3)
D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds
3-Chloro-1,2-propanediol
D010575 - Pesticides > D002629 - Chemosterilants D016573 - Agrochemicals
trans-1,3-Dichloropropene
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
METHYL METHANESULFONATE
D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents
Dimethylselenide
An organoselenium compound of two methyl groups covalently bound to a selenium.
Thiophenol
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
2-Acetylfuran
2-Acetylfuran (2-Furyl methyl ketone), an important flavour compound or intermediate in foods, is isolated from essential oils, sweet corn products, fruits and flowers. 2-Acetylfuran also can be formed from glucose and glycine by Maillard reaction. 2-Acetylfuran can be used to synthesis Cefuroxime[1][2].
methyl phosphate(2-)
Dianion of methyl phosphate arising from deprotonation of both OH groups of the phosphate.
2- acetylfurfun
{"Ingredient_id": "HBIN005134","Ingredient_name": "2- acetylfurfun","Alias": "NA","Ingredient_formula": "C6H6O2","Ingredient_Smile": "CC(=O)C1=CC=CO1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32292","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-Cyclohexene-1,4-dione
{"Ingredient_id": "HBIN005480","Ingredient_name": "2-Cyclohexene-1,4-dione","Alias": "NA","Ingredient_formula": "C6H6O2","Ingredient_Smile": "C1CC(=O)C=CC1=O","Ingredient_weight": "110.11 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40717","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138275","DrugBank_id": "NA"}