Classification Term: 3876

Aryl alkyl ketones (ontology term: CHEMONTID:0003671)

found 73 associated metabolites at no_class-level_7 metabolite taxonomy ontology rank level.

Ancestor: Aryl ketones

Child Taxonomies: There is no child term of current ontology term.

Metyrapone

2-methyl-1,2-bis(pyridin-3-yl)propan-1-one

C14H14N2O (226.1106074)


Metyrapone is only found in individuals that have used or taken this drug. It is an inhibitor of the enzyme steroid 11-beta-monooxygenase. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of cushing syndrome. [PubChem]The pharmacological effect of Metopirone is to reduce cortisol and corticosterone production by inhibiting the 11-ß-hydroxylation reaction in the adrenal cortex. Removal of the strong inhibitory feedback mechanism exerted by cortisol results in an increase in adrenocorticotropic hormone (ACTH) production by the pituitary. With continued blockade of the enzymatic steps leading to production of cortisol and corticosterone, there is a marked increase in adrenocortical secretion of their immediate precursors, 11-desoxycortisol and desoxycorticosterone, which are weak suppressors of ACTH release, and a corresponding elevation of these steroids in the plasma and of their metabolites in the urine. These metabolites are readily determined by measuring urinary 17-hydroxycorticosteroids (17-OHCS) or 17-ketogenic steroids (17-KGS). Because of these actions, metopirone is used as a diagnostic test, with urinary 17-OHCS measured as an index of pituitary ACTH responsiveness. Metopirone may also suppress biosynthesis of aldosterone, resulting in a mild natriuresis. V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CD - Tests for pituitary function D009676 - Noxae > D000963 - Antimetabolites KEIO_ID M111; [MS2] KO009044 D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor KEIO_ID M111

   

6-Hydroxypseudooxynicotine

1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one

C10H14N2O2 (194.1055224)


6-Hydroxypseudooxynicotine is a member of the class of compounds known as aryl alkyl ketones. Aryl alkyl ketones are ketones that have the generic structure RC(=O)R, where R = aryl group and R = alkyl group.

   

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone

4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one

C10H13N3O2 (207.10077180000002)


4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (also known as NNK) is a potent tobacco-specific nitrosamine derived from nicotine. It plays a key role in human tobacco-related cancers (PMID:24830349). NNK is found in cured tobacco and is also produced during its burning or combustion in cigarettes. NNK is abundantly present in cigarette smoke (20-280 ng/cigarette). Electronic cigarettes (e-cigarettes) do not convert nicotine to NNK due to their lower operating temperatures. NNK is a procarcinogen. This means it must be activated by cytochrome P450 enzymes (CYP2A6 and CYP2B6) to become a carcinogen (PMID:24830349). NNK can also be activated by myeloperoxidase (MPO) and epoxide hydrolase (EPHX1). All activation processes lead to the formation of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol from NNK, which is called NNAL (PMID:24830349). NNAL can be detoxified via glucuronidation via glucuronidases. Once NNK is activated to NNAL, this compound initiates a cascade of signalling pathways (for example ERK1/2, NFκB, PI3K/Akt, MAPK, FasL, K-ras), resulting in uncontrolled cellular proliferation and tumorigenesis. NNK is known as a mutagen and can cause point mutations that affect cell growth proliferation and differentiation. NNK also targets the SULT1A1, TGF-beta, and angiotensin II genes. NNK plays a key role in gene silencing, gene modification, and carcinogenesis. NNK has been implicated in tumour promotion by activating nicotinic acetylcholine receptors (nAChRs) and β-adrenergic receptors (β-AdrRs), leading to downstream activation of parallel signal transduction pathways that facilitate tumour progression (PMID:24830349). Antioxidants such as EGCG (from green tea) inhibit lung tumorigenesis by NNK. 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) is a potent tobacco-specific nitrosamine in animals. It has been suggested to play a role in human tobacco-related cancers. P450 1A2 catalyzed the formation of keto alcohol and 4-oxo-1-(3-pyridyl)-1-butanone (keto aldehyde) from NNK, with the keto alcohol being the major metabolite. Phenethyl isothiocyanate (PEITC0 is an effective inhibitor of the carcinogenicity or toxicity of chemicals that are activated by P450 1A2.( PMID: 8625495) [HMDB] D009676 - Noxae > D002273 - Carcinogens

   

Kanokoside C

5-Hydroxy-5-(hydroxymethyl)-10-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoic acid

C27H42O17 (638.2421882000001)


Kanokoside C is found in fats and oils. Kanokoside C is from Valeriana officinalis (valerian) root.

   

4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone

4-[(hydroxymethyl)(nitroso)amino]-1-(pyridin-3-yl)butan-1-one

C10H13N3O3 (223.0956868)


4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone is considered to be slightly soluble (in water) and relatively neutral

   

4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone

4-(2-hydroxydiazen-1-yl)-1-(pyridin-3-yl)butan-1-one

C9H11N3O2 (193.0851226)


4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone is considered to be practically insoluble (in water) and acidic

   

4-Hydroxy-1-(3-pyridinyl)-1-butanone

4-hydroxy-1-(pyridin-3-yl)butan-1-one

C9H11NO2 (165.0789746)


4-Hydroxy-1-(3-pyridinyl)-1-butanone, also known as 4-HPB, is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-Hydroxy-1-(3-pyridinyl)-1-butanone is considered to be soluble (in water) and relatively neutral

   

4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone

4-hydroxy-4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one

C10H13N3O3 (223.0956868)


4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is considered to be slightly soluble (in water) and relatively neutral

   

4-Oxo-1-(3-pyridyl)-1-butanone

4-oxo-4-Pyridin-3-yl-butyraldehyde

C9H9NO2 (163.06332540000002)


4-Oxo-1-(3-pyridyl)-1-butanone, also known as gamma-oxo-3-Pyridinebutanal or 3-Succinoylsemialdehyde-pyridine, is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-Oxo-1-(3-pyridyl)-1-butanone is considered to be soluble (in water) and relatively neutral

   

4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone

3-{4-[methyl(nitroso)amino]butanoyl}-1lambda5-pyridin-1-one

C10H13N3O3 (223.0956868)


4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone, also known as NNK-N-Oxide, is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone is considered to be practically insoluble (in water) and relatively neutral

   

Pseudooxynicotine

4-(Methylamino)-1-(pyridin-3-yl)butan-1-one

C10H14N2O (178.1106074)


Nicorette is a branded over-the-counter palliative treatment which is used to ameliorate the withdrawal effects involved in quitting smoking. Originally available as a patch for topical application, it was later made available as a nicotine gum (composed of nicotine polacrilex)lozenge, inhaler, and nasal spray. All these products contain nicotine as the active ingredient and work by delivering this into the bloodstream. [HMDB] Nicorette is a branded over-the-counter palliative treatment which is used to ameliorate the withdrawal effects involved in quitting smoking. Originally available as a patch for topical application, it was later made available as a nicotine gum (composed of nicotine polacrilex)lozenge, inhaler, and nasal spray. All these products contain nicotine as the active ingredient and work by delivering this into the bloodstream.

   

Dhelwangin

4-Hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-2H-pyran-2-one, 9CI

C12H16O4 (224.10485359999998)


Dhelwangin is an aromatic ketone. Dhelwangin is a natural product found in Pogostemon cablin with data available. Dhelwangin is found in herbs and spices. Dhelwangin is isolated from leaves of Pogostemon cablin (patchouli Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2]. Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2].

   

Perilla ketone

5-17-09-00480 (Beilstein Handbook Reference)

C10H14O2 (166.09937440000002)


Perilla ketone is a natural product found in Perilla frutescens var. crispa, Perilla frutescens, and other organisms with data available. Isolated from the essential oil of Perilla frutescens (perilla). Perilla ketone is found in fats and oils and herbs and spices. Perilla ketone is found in fats and oils. Perilla ketone is isolated from the essential oil of Perilla frutescens (perilla). Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1]. Perilla ketone is a naturally occurring xenobiotic compound. Perilla ketone is activated by pulmonary P450 cytochrome enzymes in the lung, resulting in severe pulmonary damage and development of diffuse pulmonary edema[1].

   

Oxoamide

gamma-(3-Pyridyl)-gamma-oxo-N-methylbutyramide

C10H12N2O2 (192.0898732)


Oxoamide is a metabolite of Cotinine, which is a major metabolite of Nicotine. A metabolite of Cotinine, which is a major metabolite of Nicotine. [HMDB]

   

3-Acetylpyridine

1-(3-Pyridinyl)ethanone, 9ci

C7H7NO (121.0527612)


D009676 - Noxae > D009498 - Neurotoxins Organoleptic, flavouring ingredient. Organoleptic, flavouring ingredient D004791 - Enzyme Inhibitors

   

3-Acetyl-2,5-dimethylfuran

1-(2,5-Dimethyl-3-furanyl)ethanone, 9ci

C8H10O2 (138.06807600000002)


3-Acetyl-2,5-dimethylfuran is a flavouring ingredien Flavouring ingredient

   

2-Acetylpyridine

1-(2-Pyridinyl)ethanone, 9ci

C7H7NO (121.0527612)


2-Acetylpyridine is found in alcoholic beverages. Organoleptic. 2-Acetylpyridine is a flavouring agent. 2-Acetylpyridine is present in wheat bread, cooked beef, roast lamb, grape brandies, roast peanut, roast filbert, beer, cocoa, black tea, coriander seed and other foodstuffs. 2-Acetylpyridine is a flavouring agent. It is found in wheat bread, cooked beef, roast lamb, grape brandies, roast peanut, roast filbert, beer, cocoa, black tea, coriander seed and other foodstuffs.

   

2-Acetylpyrazine

1-(1,4-Dihydro-2-pyrazinyl)ethanone

C6H6N2O (122.0480106)


2-Acetylpyrazine is a flavouring ingredient. 2-Acetylpyrazine is a component of roasted sesame seed arom Flavouring ingredient. Component of roasted sesame seed aroma Acetylpyrazine (2-Acetylpyrazine) is used to form many polycyclic compounds, as useful structures in pharmaceuticals and perfumes. Acetylpyrazine is a component of the folates (vitamin B compounds)[1].

   

1-(2-Furanyl)-1-propanone

1-propanone, 1-(2-furanyl)-

C7H8O2 (124.05242679999999)


Constituent of fruits of Psidium guajava (guava), Zizania aquatica seed (wild rice) and Ceratonia siliqua (carob bean), and of baked potato, and cooked meat (sukiyaki) volatiles. 1-(2-Furanyl)-1-propanone is found in many foods, some of which are animal foods, fruits, cereals and cereal products, and potato. 1-(2-Furanyl)-1-propanone is found in animal foods. 1-(2-Furanyl)-1-propanone is a constituent of fruits of Psidium guajava (guava), Zizania aquatica seed (wild rice) and Ceratonia siliqua (carob bean), and of baked potato, and cooked meat (sukiyaki) volatiles.

   

2-Acetyl-1-methylpyrrole

1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one

C7H9NO (123.0684104)


2-Acetyl-1-methylpyrrole is a flavouring ingredient. Flavouring ingredient

   

2-Acetyl-3-ethylpyrazine

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

C8H10N2O (150.079309)


2-Acetyl-3-ethylpyrazine is a flavouring ingredien Flavouring ingredient

   

2-Acetyl-5-methylfuran

Methyl (5-methyl-2-furyl) ketone, 8ci

C7H8O2 (124.05242679999999)


Isolated from raisins, roasted onion, French fried potato, tomato, smoked fatty fish, cooked beef, fried cured pork, beer, spirits, black tea, wild rice, squid and coffee aroma. Organoleptic and flavouring agent. 2-Acetyl-5-methylfuran is found in many foods, some of which are tea, potato, alcoholic beverages, and cereals and cereal products. 2-Acetyl-5-methylfuran is found in alcoholic beverages. 2-Acetyl-5-methylfuran is isolated from raisins, roasted onion, French fried potato, tomato, smoked fatty fish, cooked beef, fried cured pork, beer, spirits, black tea, wild rice, squid and coffee aroma. 2-Acetyl-5-methylfuran is organoleptic and flavouring agent.

   

2-Acetyl-6-methylpyridine

Methyl 6-methyl-2-pyridyl ketone, 8ci

C8H9NO (135.0684104)


2-Acetyl-6-methylpyridine is found in alcoholic beverages. 2-Acetyl-6-methylpyridine is a minor component of rum. Flavour modifying agent for coffee. Minor component of rum. Flavour modifying agent for coffee. 2-Acetyl-6-methylpyridine is found in alcoholic beverages and coffee and coffee products.

   

2-Acetyl-5-methylthiophene

1-(5-methylthiophen-2-yl)ethan-1-one

C7H8OS (140.0295838)


2-Acetyl-5-methylthiophene is found in coffee and coffee products. Organoleptic. 2-Acetyl-5-methylthiophene is a constituent of coffee aroma. Organoleptic. Constituent of coffee aroma. 2-Acetyl-5-methylthiophene is found in coffee and coffee products.

   

4-Ipomeanol

1-(3-Furanyl)-4-hydroxy-1-pentanone, 9ci

C9H12O3 (168.0786402)


4-Ipomeanol is found in root vegetables. 4-Ipomeanol is produced on Fusarium solani and Ceratocystis fimbriata-damaged sweet potatoes (Ipomoea batatus C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product D000970 - Antineoplastic Agents C1907 - Drug, Natural Product

   

2-Acetyl-4-methylpyridine

1-(4-Methyl-2-pyridinyl)ethanone, 9ci

C8H9NO (135.0684104)


2-Acetyl-4-methylpyridine is found in fruits. 2-Acetyl-4-methylpyridine is a component of fig leaf absolute (Ficus carica). Component of fig leaf absolute (Ficus carica). 2-Acetyl-4-methylpyridine is found in fruits.

   

2-Acetylpyrrole

1-(1H-Pyrrol-2-yl)ethanone (acetylpyrrole)

C6H7NO (109.0527612)


2-acetylpyrrole, also known as 1-(1h-pyrrol-2-yl)1-ethanone or 2-pyrrolyl methyl ketone, 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. 2-acetylpyrrole is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-acetylpyrrole is a bread, coumarin, and licorice tasting compound and can be found in a number of food items such as green vegetables, tea, nuts, and white mustard, which makes 2-acetylpyrrole a potential biomarker for the consumption of these food products. 2-Acetylpyrrole, also known as fema 3202 or pyrrole, 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-Acetylpyrrole is a bread, nut, and walnut tasting compound. 2-Acetylpyrrole has been detected, but not quantified, in tea. This could make 2-acetylpyrrole a potential biomarker for the consumption of these foods. A pyrrole carrying an acetyl substituent at the 2-position. 2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2]. 2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2].

   

4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one

4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one

C10H12O4 (196.0735552)


4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one is found in herbs and spices. 4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one is a constituent of Pogostemon cablin (patchouli). Constituent of Pogostemon cablin (patchouli). 4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one is found in herbs and spices.

   

5-Decanoyl-2-nonylpyridine

1-(6-Nonyl-3-pyridinyl)-1-decanone, 9ci

C24H41NO (359.31879760000004)


5-Decanoyl-2-nonylpyridine is found in herbs and spices. 5-Decanoyl-2-nonylpyridine is an alkaloid from Houttuynia cordata (Yu Xing Cao Alkaloid from Houttuynia cordata (Yu Xing Cao). 5-Decanoyl-2-nonylpyridine is found in herbs and spices.

   

4-Acetyl-2-methylpyridine

1-(2-Methyl-4-pyridinyl)ethanone, 9ci

C8H9NO (135.0684104)


4-Acetyl-2-methylpyridine is found in coffee and coffee products. 4-Acetyl-2-methylpyridine is a component of roasting coffee aroma. Component of roasting coffee aroma. 4-Acetyl-2-methylpyridine is found in coffee and coffee products.

   

2-Acetyl-3-methylfuran

Methyl (3-methyl-2-furyl) ketone, 8ci

C7H8O2 (124.05242679999999)


2-Acetyl-3-methylfuran is found in fats and oils. 2-Acetyl-3-methylfuran is present in oils of Perilla frutescens and Elsholtzia ciliata and sesame oi Present in oils of Perilla frutescens and Elsholtzia ciliata and sesame oil. 2-Acetyl-3-methylfuran is found in fats and oils.

   

2-Acetyl-1-ethylpyrrole

1-(1-ethyl-1H-pyrrol-2-yl)ethan-1-one

C8H11NO (137.0840596)


2-Acetyl-1-ethylpyrrole is a flavouring ingredien Flavouring ingredient

   

3,5-Didecanoylpyridine

1,1-(3,5-Pyridinediyl)bis-1-decanone, 9ci

C25H41NO2 (387.31371260000003)


3,5-Didecanoylpyridine is found in herbs and spices. 3,5-Didecanoylpyridine is an alkaloid from Houttuynia cordata (Yu Xing Cao Alkaloid from Houttuynia cordata (Yu Xing Cao). 3,5-Didecanoylpyridine is found in herbs and spices.

   

(R)-Athanagrandione

1-(furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione

C15H22O4 (266.1518012)


(R)-Athanagrandione is found in potato. (R)-Athanagrandione is producedby sweet potato tubers (Ipomoea batatas) infected by Fusarium solani. Productionby sweet potato tubers (Ipomoea batatas) infected by Fusarium solani. (R)-Athanagrandione is found in potato.

   

Egomaketone

1-(3-Furanyl)-4-methyl-3-penten-1-one, 9ci

C10H12O2 (164.0837252)


Constituent of Perilla frutescens (perilla). Egomaketone is found in fats and oils and herbs and spices. Egomaketone is found in fats and oils. Egomaketone is a constituent of Perilla frutescens (perilla).

   

2-Acetylthiazole

1-(1,3-thiazol-2-yl)ethan-1-one

C5H5NOS (127.009184)


2-Acetylthiazole is found in alcoholic beverages. 2-Acetylthiazole is an important flavour component; antioxidant. 2-Acetylthiazole is present in asparagus, kohlrabi, cooked potatoes, roast turkey, raw chicken, cooked beef, pork liver, beer, whisky, heated beans, various mushrooms, rice bran and maize. 2-Acetylthiazole is an important flavouring component; antioxidant. Present in asparagus, kohlrabi, cooked potatoes, roast turkey, raw chicken, cooked beef, pork liver, beer, whisky, heated beans, various mushrooms, rice bran and maize.

   

3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one

Dehydroacetic acid, sodium monohydrate ion (1-)

C8H8O4 (168.0422568)


3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one is a fungicide used against moulds on fresh and dried fruit. Now superseded. Fungicide used against moulds on fresh and dried fruit. Now superseded.

   

2-Propionylpyrrole

1-(1H-Pyrrol-2-yl)propan-1-one

C7H9NO (123.0684104)


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

   

1-(5-Methyl-3-pyridinyl)-1-decanone

1-(5-Methyl-3-pyridinyl)-1-decanone

C16H25NO (247.193604)


1-(5-Methyl-3-pyridinyl)-1-decanone is a constituent of Piper retrofractum (Javanese long pepper)

   

4-Acetyl-3-methylpyridine

1-(3-Methyl-4-pyridinyl)ethanone, 9ci

C8H9NO (135.0684104)


4-Acetyl-3-methylpyridine is found in coffee and coffee products. 4-Acetyl-3-methylpyridine is a component of roasting coffee aroma. Component of roasting coffee aroma. 4-Acetyl-3-methylpyridine is found in coffee and coffee products.

   

1-(2-Furanyl)-1,3-butanedione

1-(2-Furyl)-1,3-butanedione, 8ci

C8H8O3 (152.0473418)


1-(2-Furanyl)-1,3-butanedione is listed in the EAFUS Food Additive Database (Jan 2001) but with no current reported use. Listed in the EAFUS Food Additive Database (Jan 2001) but with no current reported use

   

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.

   

Ipomeanine

1,4-Pentanedione, 1-(3-furanyl)- (9ci)

C9H10O3 (166.062991)


Ipomeanine is found in root vegetables. Ipomeanine is produced by Ceratostomella fimbriata; toxic substance in mouldy sweet potatoe Produced by Ceratostomella fimbriata; toxic substance in mouldy sweet potatoes. Ipomeanine is found in root vegetables.

   

2-Acetylfuran

1-(2-Furanyl)-ethanone (2-acetylfuran)

C6H6O2 (110.0367776)


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].

   

(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole

1-[4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethan-1-one

C9H14N2O5 (230.09026740000002)


(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole is a minor component of Caramel Colour II D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents

   

4-Oxo-4-(3-pyridyl)-butanamide

4-oxo-4-(Pyridin-3-yl)butanimidate

C9H10N2O2 (178.07422400000002)


4-(3-pyridyl)-4-oxobutyramide (POBAM) is a metabolite of nicotine and cotinine degradation. (PMID: 9512938, 13872096) [HMDB] 4-(3-pyridyl)-4-oxobutyramide (POBAM) is a metabolite of nicotine and cotinine degradation. (PMID: 9512938, 13872096).

   

2-Acetyl-3-methylpyrazine

Methyl (3-methylpyrazinyl) ketone, 8ci

C7H8N2O (136.06365979999998)


2-Acetyl-3-methylpyrazine is found in cereals and cereal products. Aroma constituent of spiny lobster (Panulirus argus) roasted sesame see

   

2-Acetyl-3,5-dimethylfuran

1-(3,5-dimethylfuran-2-yl)ethan-1-one

C8H10O2 (138.06807600000002)


2-Acetyl-3,5-dimethylfuran is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

1-(3-Hydroxy-5-methyl-2-thienyl)ethanone

1-(3-hydroxy-5-methylthiophen-2-yl)ethan-1-one

C7H8O2S (156.0244988)


1-(3-Hydroxy-5-methyl-2-thienyl)ethanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

Pentyl 2-furyl ketone

N-Tosyl-L-phenylalanyl chloromethyl ketone

C10H14O2 (166.09937440000002)


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

   

1-(2-Thienyl)-1-butanone

1-(Thiophen-2-yl)butan-1-one

C8H10OS (154.04523300000002)


1-(2-Thienyl)-1-butanone is a flavour enhancer for coffee. Flavour enhancer for coffee

   

3-Acetylthiophene

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

C6H6OS (126.0139346)


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

   

2-Propanoylthiophene

1-(2-Thienyl)-1-propanone, 9ci

C7H8OS (140.0295838)


2-Propanoylthiophene is a maillard product. Maillard product

   

2-Propanoylthiazole

1-(2-Thiazolyl)-1-propanone, 9ci

C6H7NOS (141.02483320000002)


2-Propanoylthiazole is found in fats and oils. Cysteine-derived Maillard product. 2-Propanoylthiazole is reported in lard. 2-Propanoylthiazole is present in cooked spinach leaves. 2-Propanoylthiazole is a flavouring ingredient. 2-Propanoylthiazole is a cysteine-derived Maillard product. It is found in cooked spinach leaves, and fats and oils. It can be used as a flavouring ingredient.

   

4-Acetyl-2-methylpyrimidine

1-(2-Methyl-4-pyrimidinyl)ethanone, 9ci

C7H8N2O (136.06365979999998)


4-Acetyl-2-methylpyrimidine is found in animal foods. 4-Acetyl-2-methylpyrimidine is a flavouring ingredient. 4-Acetyl-2-methylpyrimidine is present in cooked meats. 4-Acetyl-2-methylpyrimidine is a flavouring ingredient. It is found in cooked meats and other animal foods.

   

2-Acetyloxazole

1-(1,3-oxazol-2-yl)ethan-1-one

C5H5NO2 (111.032027)


2-Acetyloxazole is found in cocoa and cocoa products. 2-Acetyloxazole is a constituent of roasted peanuts and cocoa beans. Constituent of roasted peanuts and cocoa beans. 2-Acetyloxazole is found in cocoa and cocoa products and nuts.

   

1-(2-Furanyl)-1-pentanone

1-(furan-2-yl)pentan-1-one

C9H12O2 (152.0837252)


1-(2-Furanyl)-1-pentanone is found in animal foods. 1-(2-Furanyl)-1-pentanone is a volatile constituent of rice smoke flavouring and roast beef. Volatile constituent of rice smoke flavouring and roast beef. 1-(2-Furanyl)-1-pentanone is found in animal foods.

   

1-(2-Furanyl)-1-butanone

1-(furan-2-yl)butan-1-one

C8H10O2 (138.06807600000002)


Constituent of coffee aroma and cocoa butter. 1-(2-Furanyl)-1-butanone is found in cocoa and cocoa products and coffee and coffee products. 1-(2-Furanyl)-1-butanone is found in cocoa and cocoa products. 1-(2-Furanyl)-1-butanone is a constituent of coffee aroma and cocoa butter.

   

2-Acetyl-3,6-dimethylpyrazine

1-(3,6-dimethylpyrazin-2-yl)ethan-1-one

C8H10N2O (150.079309)


2-Acetyl-3,6-dimethylpyrazine is found in coffee and coffee products. 2-Acetyl-3,6-dimethylpyrazine is a component of coffee aroma. Component of coffee aroma. 2-Acetyl-3,6-dimethylpyrazine is found in coffee and coffee products.

   

2-Acetyl-3,5-dimethylpyrazine

1-(3,5-dimethylpyrazin-2-yl)ethan-1-one

C8H10N2O (150.079309)


2-Acetyl-3,5-dimethylpyrazine is found in coffee and coffee products. 2-Acetyl-3,5-dimethylpyrazine is a constituent of wood smoke and coffee aroma. 2-Acetyl-3,5-dimethylpyrazine is a component of *FEMA 3327*. Constituent of wood smoke and coffee aroma. Component of *FEMA 3327*. 2-Acetyl-3,5-dimethylpyrazine is found in coffee and coffee products.

   

2-Acetyl-5-methylpyridine

1-(5-Methyl-2-pyridinyl)ethanone, 9ci

C8H9NO (135.0684104)


2-Acetyl-5-methylpyridine is found in coffee and coffee products. 2-Acetyl-5-methylpyridine is a component of roasting coffee aroma. Component of roasting coffee aroma. 2-Acetyl-5-methylpyridine is found in coffee and coffee products.

   

1-(5-Methyl-2-thienyl)-1-propanone

1-(5-Methylthiophen-2-yl)propan-1-one

C8H10OS (154.04523300000002)


1-(5-Methyl-2-thienyl)-1-propanone is a flavouring ingredient. Flavouring ingredient

   

1-(2-Thienyl)-1-heptanone

1-(thiophen-2-yl)heptan-1-one

C11H16OS (196.09218059999998)


1-(2-Thienyl)-1-heptanone is found in animal foods. 1-(2-Thienyl)-1-heptanone is a constituent of roast beef aroma. Constituent of roast beef aroma. 1-(2-Thienyl)-1-heptanone is found in animal foods.

   

1-(2-Furanyl)-1-octanone

1-(furan-2-yl)octan-1-one

C12H18O2 (194.1306728)


1-(2-Furanyl)-1-octanone is a thermal degradation product of laminated polyethylene terephthalate food packaging materials. Thermal degradation product of laminated polyethylene terephthalate food packaging materials

   

3-Acetyl-2,5-dimethylthiophene

2,5-Dimethyl-3-thienyl methyl ketone, 8ci

C8H10OS (154.04523300000002)


3-Acetyl-2,5-dimethylthiophene is a flavouring ingredient. Flavouring ingredient

   

2-Acetyl-3-methylthiophene

Methyl 3-methyl-2-thienyl ketone, 8ci

C7H8OS (140.0295838)


2-Acetyl-3-methylthiophene is a flavouring ingredient with a honey-like flavour. Flavouring ingredient with a honey-like flavour

   

1-(4-Methylthiazol-5-yl)ethanone

1-(4-methyl-1,3-thiazol-5-yl)ethan-1-one

C6H7NOS (141.02483320000002)


   

2-Methyl-1,2-di-4-pyridinyl-1-propanone

2-methyl-1,2-bis(pyridin-4-yl)propan-1-one

C14H14N2O (226.1106074)


   

2-Thenoyltrifluoroacetone

4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione

C8H5F3O2S (221.9962346)


D064449 - Sequestering Agents > D002614 - Chelating Agents

   

4'-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone

4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone

C10H13N3O2 (207.10077180000002)


D009676 - Noxae > D002273 - Carcinogens

   

Oxisuran

2-Methanesulphinyl-1-(pyridin-2-yl)ethan-1-one

C8H9NO2S (183.0353974)


C308 - Immunotherapeutic Agent > C574 - Immunosuppressant

   

2-Acetyl-4-methylthiazole

1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one

C6H7NOS (141.02483320000002)


2-acetyl-4-methylthiazole 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. 2-acetyl-4-methylthiazole is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-acetyl-4-methylthiazole can be found in kohlrabi, which makes 2-acetyl-4-methylthiazole a potential biomarker for the consumption of this food product.

   

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 .