Exact Mass: 134.084394
Exact Mass Matches: 134.084394
Found 500 metabolites which its exact mass value is equals to given mass value 134.084394,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
L-Canaline
L-canaline, also known as L-2-amino-4-(aminooxy)butyric acid, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-canaline is soluble (in water) and a moderately acidic compound (based on its pKa). L-canaline can be found in a number of food items such as mulberry, rape, grape, and black chokeberry, which makes L-canaline a potential biomarker for the consumption of these food products. L-canaline is a substrate for ornithine aminotransferase resulting in the synthesis of L-ureidohomoserine (the corresponding analog of L-citrulline). In turn, the latter forms L-canavaninosuccinic acid in a reaction mediated by argininosuccinic acid synthetase. L-Canavaninosuccinic acid is cleaved to form L-canavanine by argininosuccinic acid synthetase. By these sequential reactions, the canaline-urea cycle (analogous to the ornithine-urea cycle) is formed. Every time a canavanine molecule runs through the canaline-urea cycle, the two terminal nitrogen atoms are released as urea. Urea is an important by-product of this reaction sequence because it makes ammonicial ammonia (urease-mediated) that is available to support intermediary nitrogen metabolism. L-canaline can by reductively cleaved to L-homoserine, a non-protein amino acid of great importance in the formation of a host of essential amino acids. In this way, the third nitrogen atom of canavanine enters into the reactions of nitrogen metabolism of the plant. As homoserine, its carbon skeleton also finds an important use . L-canaline is a non-proteinogenic L-alpha-amino acid that is L-homoserine in which the hydroxy group at position 4 is substituted by an aminooxy group. It has been isolated from legumes and plays an essential role in lugume chemical defense against insects. It has a role as a plant metabolite, an antineoplastic agent, an antimetabolite and a phytogenic insecticide. It is functionally related to a L-homoserine. It is a tautomer of a L-canaline zwitterion. Canavanine reacts with water to produce L-canaline and urea. The reaction is catalyzed by arginase. L-canaline reacts with carbamoyl-phosphate to produce O-ureidohomoserine and phosphate. The reaction is catalyzed by ornithine carbamoyltransferase. A non-proteinogenic L-alpha-amino acid that is L-homoserine in which the hydroxy group at position 4 is substituted by an aminooxy group. It has been isolated from legumes and plays an essential role in lugume chemical defense against insects.
trans-Cinnamyl alcohol
Cinnamyl alcohol is a primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified). It has a role as a plant metabolite. Cinnamyl alcohol is a naturally occurring compound that is found within cinnamon. Due to the low levels found in cinnamon, cinnamyl alcohol is usually supplied as [DB14184] within commercial products. Cinnamyl alcohol has been shown to be a skin sensitizer, with a NOEL (No Effect Level) of ~4\\\\%. Sensitivity to cinnamyl alcohol may be identified with a clinical patch test. Cinnamyl alcohol is a Standardized Chemical Allergen. The physiologic effect of cinnamyl alcohol is by means of Increased Histamine Release, and Cell-mediated Immunity. Cinnamyl alcohol is a natural product found in Nicotiana bonariensis, Cinnamomum burmanni, and other organisms with data available. See also: Cinnamon (part of); Chinese Cinnamon (part of); Cinnamomum cassia twig (part of). Constituent of storax and Peruvian balsam, mainly as ester of Cinnamic acid. Flavouring. Stabiliser. trans-Cinnamyl alcohol is found in many foods, some of which are chinese mustard, italian sweet red pepper, alfalfa, and canada blueberry. trans-Cinnamyl alcohol is found in bilberry. trans-Cinnamyl alcohol is a constituent of storax and Peruvian balsam, mainly as ester of Cinnamic acid. trans-Cinnamyl alcohol is a flavouring. trans-Cinnamyl alcohol is a stabiliser A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified). Cinnamyl Alcohol is an active component from chestnut flower, inhibits increased PPARγ expression, with anti-obesity activity[1]. Cinnamyl Alcohol is an active component from chestnut flower, inhibits increased PPARγ expression, with anti-obesity activity[1].
Phenylacetone
Phenylacetone is a DEA Schedule II controlled substance. Substances in the DEA Schedule II have a high potential for abuse which may lead to severe psychological or physical dependence. It is a Immediate precursors substance. Phenylacetone is a propanone that is propan-2-one substituted by a phenyl group at position 1. It is a member of propanones and a methyl ketone. Phenylacetone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=103-79-7 (retrieved 2024-10-28) (CAS RN: 103-79-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Indan-1-ol
Indan-1-ol is part of the Steroid hormone biosynthesis, and Arachidonic acid metabolism pathways. It is a substrate for: Aldo-keto reductase family 1 member C1, and Aldo-keto reductase family 1 member C3.
Deoxyribose
Deoxyribose is an aldopentose, a monosaccharide containing five carbon atoms, and including an aldehyde functional group. It is derived from the pentose sugar ribose by the replacement of the hydroxyl group at the 2 position with hydrogen, leading to the net loss of an oxygen atom, and has chemical formula C5H10O4. In deoxyribose, the carbon furthest from the attached carbon is stripped of the oxygen atom in what would be a hydroxyl group in ribose. The common base adenine (a purine derivative) coupled to deoxyribose is called deoxyadenosine. The 5-triphosphate derivative of adenosine, commonly called adenosine triphosphate (ATP) is an important energy transport molecule in cells. -- Wikipedia [HMDB] Deoxyribose is an aldopentose, a monosaccharide containing five carbon atoms, and including an aldehyde functional group. It is derived from the pentose sugar ribose by the replacement of the hydroxyl group at the 2 position with hydrogen, leading to the net loss of an oxygen atom, and has chemical formula C5H10O4. In deoxyribose, the carbon furthest from the attached carbon is stripped of the oxygen atom in what would be a hydroxyl group in ribose. The common base adenine (a purine derivative) coupled to deoxyribose is called deoxyadenosine. The 5-triphosphate derivative of adenosine, commonly called adenosine triphosphate (ATP) is an important energy transport molecule in cells. -- Wikipedia. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thyminose is an endogenous metabolite. Thyminose is an endogenous metabolite.
Butylbenzene
Butylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.
p-Cymene
Cymene, or p-cymene also known as p-cymol or isopropyltoluene, is a naturally occurring aromatic organic compound. It is classified as a hydrocarbon related to a monoterpene. Its structure consists of a benzene ring para-substituted with a methyl group and an isopropyl group. It is insoluble in water, but miscible with ethanol and ether. Cymene is a constituent of a number of essential oils, most commonly the oil of cumin and thyme. There are two less common geometric isomers. o-Cymene, in which the alkyl groups are ortho-substituted, and m-cymene, in which they are meta-substituted. p-Cymene is the only natural isomer. Cymene is a common ligand for ruthenium. V. widely distributed in plant oils e.g. terpentine and citrus oils and many others. It is used in flavour industries. 1-Isopropyl-4-methylbenzene is found in many foods, some of which are green bell pepper, lemon balm, saffron, and sweet basil.
Dihydropteridine
Dihydropteridine is a generic compound; the product of the reduction of 5,6,7,8-Tetrahydropteridine, which is catalyzed by 6,7-dihydropteridine reductase (EC 1.5.1.34). (KEGG) This compound is recognised as a cause of tetrahydrobiopterin (BH(4)) deficiency, leading to hyperphenylalaninemia (HPA) and impaired biogenic amine deficiency. (PMID: 14705166). A generic compound; the product of the reduction of 5,6,7,8-Tetrahydropteridine, which is catalyzed by 6,7-dihydropteridine reductase (EC 1.5.1.34). (KEGG) This compound is recognised as a cause of tetrahydrobiopterin (BH(4)) deficiency, leading to hyperphenylalaninemia (HPA) and impaired biogenic amine deficiency. (PMID: 14705166) [HMDB]
1-Deoxy-D-xylulose
1-Deoxy-D-xylulose is a product of the splitting up of Pyridoxine (an intermediate in Vitamin B6 metabolism) into two components (the other one being 4-Hydroxy-L-threonine). (KEGG) [HMDB] 1-Deoxy-D-xylulose is a product of the splitting up of Pyridoxine (an intermediate in Vitamin B6 metabolism) into two components (the other one being 4-Hydroxy-L-threonine). (KEGG).
2-((3-Aminopropyl)amino)ethanethiol
D020011 - Protective Agents > D011837 - Radiation-Protective Agents Amifostine thiol (WR-1065) is an active metabolite of the cytoprotector Amifostine (HY-B0639). Amifostine thiol is a cytoprotective agent with radioprotective abilities. Amifostine thiol activates p53 through a JNK-dependent signaling pathway[1][2][3].
Chavicol
Chavicol is found in allspice. Chavicol is found in many essential oils, e.g. anise and Gardenia. Chavicol is used in perfumery and flavours. Found in many essential oils, e.g. anise and Gardenia. It is used in perfumery and flavours.
N-NITROSODIETHANOLAMINE
D009676 - Noxae > D002273 - Carcinogens
(Z)-4-(1-Propenyl)phenol
(Z)-4-(1-Propenyl)phenol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2,3-dihydroxyisovalerate
(R) 2,3-Dihydroxy-isovalerate is an intermediate in valine, leucine and isoleucine biosynthesis. The pathway of valine biosynthesis is a four-step pathway that shares all of its steps with the parallel pathway of isoleucine biosynthesis. These entwined pathways are part of the superpathway of leucine, valine, and isoleucine biosynthesis , that generates not only isoleucine and valine, but also leucine. (R) 2,3-Dihydroxy-isovalerate is generated from 3-Hydroxy-3-methyl-2-oxobutanoic acid via the enzyme ketol-acid reductoisomerase (EC 1.1.1.86) then it is converted to 2-Oxoisovalerate via the dihydroxy-acid dehydratase (EC:4.2.1.9). [HMDB] (R) 2,3-Dihydroxy-isovalerate is an intermediate in valine, leucine and isoleucine biosynthesis. The pathway of valine biosynthesis is a four-step pathway that shares all of its steps with the parallel pathway of isoleucine biosynthesis. These entwined pathways are part of the superpathway of leucine, valine, and isoleucine biosynthesis , that generates not only isoleucine and valine, but also leucine. (R) 2,3-Dihydroxy-isovalerate is generated from 3-Hydroxy-3-methyl-2-oxobutanoic acid via the enzyme ketol-acid reductoisomerase (EC 1.1.1.86) then it is converted to 2-Oxoisovalerate via the dihydroxy-acid dehydratase (EC:4.2.1.9).
4'-Methylacetophenone
4-Methylacetophenone, also known as melilot or sweet clover, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-Methylacetophenone is a sweet, acetophenone, and bitter almond tasting compound. 4-Methylacetophenone has been detected, but not quantified, in several different foods, such as citrus, garden tomato, pepper (spice), garden tomato (var.), and milk and milk products. This could make 4-methylacetophenone a potential biomarker for the consumption of these foods. Present in sour cherry, orange, grapefruit peel, blackcurrants, guava, peach, other fruits, celery, potato, tomato, pepper, parsley, smoked fish, cognac, Parmesan cheese and other foodstuffs. Flavouring ingredient. 4-Methylacetophenone is found in many foods, some of which are green vegetables, herbs and spices, garden tomato, and potato. 4-Methylacetophenone is an aromatic ketone. 4-Methylacetophenone is a natural product found in Cichorium endivia, Myrocarpus frondosus, and other organisms with data available. 4-Methylacetophenone is a metabolite found in or produced by Saccharomyces cerevisiae. 4′-methylacetophenone can be used as a fragrance material. 4′-Methylacetophenone is wildly occurs in volatile compounds in food and in some natural complex substances (NCS)[1]. 4′-methylacetophenone can be used as a fragrance material. 4′-Methylacetophenone is wildly occurs in volatile compounds in food and in some natural complex substances (NCS)[1].
4-Ethylbenzaldehyde
Present in roasted chicken, cider, tea and roasted peanuts. Flavouring ingredient. 4-Ethylbenzaldehyde is found in many foods, some of which are nuts, alcoholic beverages, tea, and animal foods. 4-Ethylbenzaldehyde is found in alcoholic beverages. 4-Ethylbenzaldehyde is present in roasted chicken, cider, tea and roasted peanuts. 4-Ethylbenzaldehyde is a flavouring ingredien 4-Ethylbenzaldehyde is a carbonyl compound. 4-Ethylbenzaldehyde is a natural product found in Illicium verum, Tanacetum parthenium, and other organisms with data available. 4-Ethylbenzaldehyde is an endogenous metabolite. 4-Ethylbenzaldehyde is an endogenous metabolite.
Cinnamyl alcohol
Flavouring ingredient. Cinnamyl alcohol is found in many foods, some of which are papaya, kumquat, german camomile, and common mushroom. Cinnamyl alcohol is found in anise. Cinnamyl alcohol is a flavouring ingredien Cinnamyl Alcohol is an active component from chestnut flower, inhibits increased PPARγ expression, with anti-obesity activity[1]. Cinnamyl Alcohol is an active component from chestnut flower, inhibits increased PPARγ expression, with anti-obesity activity[1].
2,4-Dimethylbenzaldehyde
2,4-Dimethylbenzaldehyde is a flavouring ingredien Flavouring ingredient
2-Methylacetophenone
2-Methylacetophenone belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group and a phenyl group. 2-Methylacetophenone is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Methylacetophenone is used as a food additive (EAFUS: Everything Added to Food in the United States). 2-Methylacetophenone is an endogenous metabolite. 2-Methylacetophenone is an endogenous metabolite.
2-Ethyl-p-xylene
2-Ethyl-p-xylene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.
(3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene
(3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene belongs to the class of organic compounds known as alkatetraenes. These are hydrocarbons that contain exactly four carbon-to-carbon double bonds.
(R)-glycerol 1-acetate
Glycerol acetate is the ester produced from the esterification of glycerol with acetic acid. Multiple products can be produced from this reaction; these include the monoacetylglycerols (MAG), diacetylglycerols (DAG), and triacetalglycerol (TAG) (also known as triacetin). (from wiki) [HMDB] Glycerol acetate is the ester produced from the esterification of glycerol with acetic acid. Multiple products can be produced from this reaction; these include the monoacetylglycerols (MAG), diacetylglycerols (DAG), and triacetalglycerol (TAG) (also known as triacetin). (Wikipedia).
m-Propyltoluene
m-Propyltoluene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.
2,3-Dihydroxy-2-methylbutanoic acid
2,3-Dihydroxy-2-methylbutanoic acid is found in alcoholic beverages. 2,3-Dihydroxy-2-methylbutanoic acid occurs in win
5,6,7,8-Tetrahydroquinoxaline
5,6,7,8-Tetrahydroquinoxaline is found in animal foods. 5,6,7,8-Tetrahydroquinoxaline is a flavour ingredient. 5,6,7,8-Tetrahydroquinoxaline is present in wheat bread, cocoa, coffee, roasted filbert, roasted peanut, pork and roasted sesame. 5,6,7,8-Tetrahydroquinoxaline is a flavouring ingredient. It is found in wheat bread, cocoa, coffee, roasted filbert, roasted peanut, pork and roasted sesame.
3-Mercapto-1-hexanol
xi-3-Mercapto-1-hexanol is found in fruits. xi-3-Mercapto-1-hexanol is isolated from yellow passion fruit (Passiflora edulis). xi-3-Mercapto-1-hexanol is a flavouring ingredient. Isolated from yellow passion fruit (Passiflora edulis). Flavouring ingredient. xi-3-Mercaptohexanol is found in fruits.
3-Phenylpropanal
3-Phenylpropanal, also known as benzenepropanal or benzylacetaldehyde, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 3-Phenylpropanal is a balsam, chocolate, and cinnamon tasting compound. 3-Phenylpropanal is found, on average, in the highest concentration within ceylon cinnamons. 3-Phenylpropanal has also been detected, but not quantified, in several different foods, such as chinese cinnamons, garden tomato (var.), cherry tomato, herbs and spices, and garden tomato. Present in cinnamon, tomato, gruyere de comte cheese, beer, cooked trassi, origanum (Spanish) and strawberry. Flavour ingredient. 3-Phenylpropanal is found in many foods, some of which are garden tomato (variety), chinese cinnamon, ceylon cinnamon, and fruits.
p-Mentha-1,3,8-triene
Isolated from Petroselinum sativum (Yugoslavian parsley). p-Mentha-1,3,8-triene is found in dill, herbs and spices, and parsley. p-Mentha-1,3,8-triene is found in dill. p-Mentha-1,3,8-triene is isolated from Petroselinum sativum (Yugoslavian parsley).
1-Methyl-2-propylbenzene
1-Methyl-2-propylbenzene is found in fats and oils. 1-Methyl-2-propylbenzene is found in cotton plant volatile Found in cotton plant volatiles
4-Ethyl-o-xylene
4-ethyl-o-xylene, also known as 2-methyl-P-ethyltoluene or 4-ethyl-1,2-dimethylbenzene, is a member of the class of compounds known as O-xylenes. O-xylenes are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions. 4-ethyl-o-xylene can be found in corn, which makes 4-ethyl-o-xylene a potential biomarker for the consumption of this food product. 4-ethyl-o-xylene can be found primarily in feces. 4-Ethyl-o-xylene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.
6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine
6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine is found in animal foods. 6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine is a flavouring ingredient. 6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine is present in coffee aroma, asparagus, wheat bread, rye bread, cocoa, green tea, roasted barley, roasted filbert, roasted peanut, fried chicken, wild rice, roast almond, baked potato, earth-almond (Cyperus esculentus) and other foodstuffs. 6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine is a flavouring ingredient. It is found in coffee aroma, asparagus, wheat bread, rye bread, cocoa, green tea, roasted barley, roasted filbert, roasted peanut, fried chicken, wild rice, roast almond, baked potato, earth-almond (Cyperus esculentus) and other foods.
Prehnitene
Prehnitene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.
1-Isopropyl-3-methylbenzene
1-Isopropyl-3-methylbenzene is found in blackcurrant. 1-Isopropyl-3-methylbenzene is present in oil of Ribes nigrum (blackcurrant). Present in oil of Ribes nigrum (blackcurrant). 1-Isopropyl-3-methylbenzene is found in sweet basil, fruits, and blackcurrant.
6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine
6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine is found in animal foods. 6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine is maillard produced 6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine is present in sesame seed oil, green tea, coffee, roast oats, wheat bread, cocoa bean, roast coconut, fried chicken, yeast extract, cooked beef and roast filbert. 6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine is a Maillard product. It is found in sesame seed oil, green tea, coffee, roast oats, wheat bread, cocoa bean, roast coconut, fried chicken, yeast extract, cooked beef and roast filbert.
m-Methylacetophenone
m-Methylacetophenone belongs to the family of Acetophenones. These are organic compounds containing the acetophenone structure
1-Phenyl-1-propanone
Present in Camembert cheese, coffee, tea and roasted nuts. Flavouring ingredient. 1-Phenyl-1-propanone is found in many foods, some of which are tea, coffee and coffee products, nuts, and milk and milk products. 1-Phenyl-1-propanone is found in coffee and coffee products. 1-Phenyl-1-propanone is present in Camembert cheese, coffee, tea and roasted nuts. 1-Phenyl-1-propanone is a flavouring ingredien
1-Isopropyl-2-methylbenzene
1-Isopropyl-2-methylbenzene is found in citrus. 1-Isopropyl-2-methylbenzene is isolated from Citrus aurantium (Seville orange). Isolated from Citrus aurantium (Seville orange). 1-Isopropyl-2-methylbenzene is found in citrus.
2,3-Dihydroxyvaleric acid
2,3-Dihydroxyvaleric acid (DHVA) belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. This compound has been detected in extracts from the purple carrot (https://doi.org/10.3390/app10238493). It is likely a hydroxylation derivative of the more common 2-hydroxyvaleric acid (an algal metabolite derived from a valeric acid) or 3-hydroxyvaleric acid (a 5-carbon ketone body made from odd carbon fatty acids in the liver). Very little is known about the origin of this particular hydroxy fatty acid. 2,3-Dihydroxyvaleric acid is a metabolite that has been found present in the urine of a patient with 2-hydroxyglutaric aciduria (OMIM 600721), a rare genetic defect with no rapid routine method to detect. (PMID 9260660) [HMDB]
(4-Methylphenyl)acetaldehyde
(4-Methylphenyl)acetaldehyde is a flavouring ingredient with bitter almond odour and flavou Flavouring ingredient with bitter almond odour and flavour
2-Phenylpropanal
(±)-2-Phenylpropanal is found in mushrooms. (±)-2-Phenylpropanal is a flavour ingredien Found in various mushrooms
(+/-)-3-(Ethylthio)butanol
(+/-)-3-(Ethylthio)butanol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Mercapto-2-methyl-1-pentanol
2-Mercapto-2-methyl-1-pentanol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
(+/-)-4-Mercapto-4-methyl-2-pentanol
(+/-)-4-Mercapto-4-methyl-2-pentanol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Polypropylene glycol (m w 1,200-3,000)
Polypropylene glycol (m w 1,200-3,000) is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
7-Nonene-3,5-diyn-1-ol
7-Nonene-3,5-diyn-1-ol is found in mushrooms. 7-Nonene-3,5-diyn-1-ol is isolated from a mixed culture of Lentinus edodes (shiitake) and the pathogen Trichoderm Isolated from a mixed culture of Lentinus edodes (shiitake) and the pathogen Trichoderma. 7-Nonene-3,5-diyn-1-ol is found in mushrooms.
3-Mercapto-2-methylpentanol
3-Mercapto-2-methylpentanol is found in onion-family vegetables. Aroma constituent of cut, raw onion. 3-Mercapto-2-methylpentanol is a powerful flavour compoun Aroma constituent of cut, raw onion. Powerful flavour compound. 3-Mercapto-2-methylpentanol is found in onion-family vegetables.
3,5-Dimethyl-2-vinylpyrazine
Formed by thermal interaction of ribose and cysteine. Odour constituent of roasted coffeeand is) also present in fried beef volatiles. 3,5-Dimethyl-2-vinylpyrazine is found in coffee and coffee products and animal foods. 3,5-Dimethyl-2-vinylpyrazine is found in animal foods. 3,5-Dimethyl-2-vinylpyrazine is formed by thermal interaction of ribose and cysteine. Odour constituent of roasted coffee. Also present in fried beef volatile
4-Methoxy-2-methyl-2-butanethiol
4-Methoxy-2-methyl-2-butanethiol is found in fats and oils. 4-Methoxy-2-methyl-2-butanethiol is present in blackcurrant buds/berries, virgin olive oil and Japanese green tea (Sen-cha Present in blackcurrant buds/berries, virgin olive oil and Japanese green tea (Sen-cha). 4-Methoxy-2-methyl-2-butanethiol is found in tea, fats and oils, and fruits.
o-Vinylanisole
o-Vinylanisole is a flavouring ingredient. Flavouring ingredient
2-Methyl-6-(1-propenyl)pyrazine
Constituent of okra pods, coffee, roasted sesame, roasted green tea and cooked beef. 2-Methyl-6-(1-propenyl)pyrazine is found in many foods, some of which are coffee and coffee products, cereals and cereal products, tea, and animal foods. 2-Methyl-6-(1-propenyl)pyrazine is found in animal foods. 2-Methyl-6-(1-propenyl)pyrazine is a constituent of okra pods, coffee, roasted sesame, roasted green tea and cooked beef.
2-Methyl-3-(1-propenyl)pyrazine
Claimed food uses are not well documented. Claimed food uses are not well documented
2-Methyl-6-(2-propenyl)pyrazine
Tentatively identified in white bread crust aroma. Possesses an earthy odour. 2-Methyl-6-(2-propenyl)pyrazine is found in cereals and cereal products. 2-Methyl-6-(2-propenyl)pyrazine is found in cereals and cereal products. Tentatively identified in white bread crust aroma. Possesses an earthy odour.
2-Methyl-5-(2-propenyl)pyrazine
2-Methyl-5-(2-propenyl)pyrazine is found in cereals and cereal products. 2-Methyl-5-(2-propenyl)pyrazine is a volatile constituent of roasted peanuts. Tentatively identified in white bread crust aroma. Volatile constituent of roasted peanuts. Tentatively identified in white bread crust aroma. 2-Methyl-5-(2-propenyl)pyrazine is found in cereals and cereal products and nuts.
2-Methyl-3-(2-propenyl)pyrazine
2-Methyl-3-(2-propenyl)pyrazine is found in cereals and cereal products. 2-Methyl-3-(2-propenyl)pyrazine is a volatile constituent of Korean salt-fermented shrimp paste (Acetes chinensis) and extrusion cooked wheat flour. Volatile constituent of Korean salt-fermented shrimp paste (Acetes chinensis) and extrusion cooked wheat flour. 2-Methyl-3-(2-propenyl)pyrazine is found in cereals and cereal products and crustaceans.
2-Methyl-5-(1-propenyl)pyrazine
Maillard product. Constituent of okra pods, roasted green tea, roast peanut, coffee and cooked beef. 2-Methyl-5-(1-propenyl)pyrazine is found in many foods, some of which are animal foods, coffee and coffee products, green vegetables, and nuts. 2-Methyl-5-(1-propenyl)pyrazine is found in animal foods. 2-Methyl-5-(1-propenyl)pyrazine is a maillard product. 2-Methyl-5-(1-propenyl)pyrazine is a constituent of okra pods, roasted green tea, roast peanut, coffee and cooked beef.
6-Mercapto-1-hexanol
6-mercapto-hexan-1-ol, also known as 6-hydroxy-1-hexanethiol, is a member of the class of compounds known as alkylthiols. Alkylthiols are organic compounds containing the thiol functional group linked to an alkyl chain. 6-mercapto-hexan-1-ol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-mercapto-hexan-1-ol can be found in guava, which makes 6-mercapto-hexan-1-ol a potential biomarker for the consumption of this food product.
2,5-Dimethyl-6-vinylpyrazine
2,5-dimethyl-6-vinylpyrazine is a member of the class of compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 2,5-dimethyl-6-vinylpyrazine is soluble (in water) and a moderately basic compound (based on its pKa). 2,5-dimethyl-6-vinylpyrazine can be found in kohlrabi, which makes 2,5-dimethyl-6-vinylpyrazine a potential biomarker for the consumption of this food product.
1,3-Dimethyl-4-ethylbenzene
1,3-dimethyl-4-ethylbenzene is a member of the class of compounds known as M-xylenes. M-xylenes are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions. 1,3-dimethyl-4-ethylbenzene can be found in corn, which makes 1,3-dimethyl-4-ethylbenzene a potential biomarker for the consumption of this food product.
2,6-dimethyl-1,3,5,7-octatetraene
An alkatetraene that is 1,3,5,7-octatetraene substituted by methyl groups at positions 2 and 6 respectively.
Diglyme
CONFIDENCE standard compound; INTERNAL_ID 2770 CONFIDENCE standard compound; EAWAG_UCHEM_ID 643
2-Deoxy-D-Ribose
A deoxypentose that is D-ribose in which the hydroxy group at position C-2 is replaced by hydrogen. Thyminose is an endogenous metabolite. Thyminose is an endogenous metabolite.
non-4t-ene-6,8-diyn-1-ol|trans-Non-4-en-6.8-diin-1-ol
4-Amino-7H-pyrrolo<2,3-d>pyrimidin|4-amino-7H-pyrrolo<2,3-d>pyrimidine|4-amino-7H-pyrrolo[2,3-d]pyrimidine|4-aminopyrrolo<2,3-d>pyrimidine|6-amino-7-deazapurine|7-Deazaadenine|7H-pyrrolo[2,3-d]pyrimidin-4-amine
1-[(2Z)-but-2-en-1-yl]cyclohexa-1,3-diene|norviridene
2-Methylacetophenone
A member of the class of acetophenones that is acetophenone which is substituted by a methyl group at position 2. 2-Methylacetophenone is an endogenous metabolite. 2-Methylacetophenone is an endogenous metabolite.
Deoxyribose
Thyminose is an endogenous metabolite. Thyminose is an endogenous metabolite.
Cinnamyl alcohol
Cinnamyl Alcohol is an active component from chestnut flower, inhibits increased PPARγ expression, with anti-obesity activity[1]. Cinnamyl Alcohol is an active component from chestnut flower, inhibits increased PPARγ expression, with anti-obesity activity[1].
Ethyl benzaldehyde
4-Ethylbenzaldehyde is an endogenous metabolite. 4-Ethylbenzaldehyde is an endogenous metabolite.
Melilot
4′-methylacetophenone can be used as a fragrance material. 4′-Methylacetophenone is wildly occurs in volatile compounds in food and in some natural complex substances (NCS)[1]. 4′-methylacetophenone can be used as a fragrance material. 4′-Methylacetophenone is wildly occurs in volatile compounds in food and in some natural complex substances (NCS)[1].
2-Pyridinemethanamine,alpha-methyl-N-methylene-(9CI)
(S,S)-N-Methylsulfonyl-1,2-diphenylethanediamine(chloro)(p-cyMene)ruthenium(II)
(1R,1R)-2,2-(3,11-DIOXO-4,10-DIOXATRIDECAMETHYLENE)-BIS-(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-VERATRYLISOQUINDLINE)-DIOXALATE
577-16-2
2-Methylacetophenone is an endogenous metabolite. 2-Methylacetophenone is an endogenous metabolite.
Styrone
Cinnamyl Alcohol is an active component from chestnut flower, inhibits increased PPARγ expression, with anti-obesity activity[1]. Cinnamyl Alcohol is an active component from chestnut flower, inhibits increased PPARγ expression, with anti-obesity activity[1].
4-Ethylbenzaldehyde
4-Ethylbenzaldehyde is an endogenous metabolite. 4-Ethylbenzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4748-78-1 (retrieved 2024-08-21) (CAS RN: 4748-78-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
L-Canaline base
Present in Canavalia ensiformis (Jackbean). L-2-Amino-4-(aminooxy)butanoic acid is found in pulses.
3-mercaptohexanol
An alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively. It is used as a food additive
(3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene
(3E,5E)-2,6-Dimethyl-1,3,5,7-octatetraene belongs to the class of organic compounds known as alkatetraenes. These are hydrocarbons that contain exactly four carbon-to-carbon double bonds.
trans-Anol
A phenylpropanoid that is phenol substituted at position 4 by a prop-1-enyl group (the trans-isomer)
Amifostine thiol
D020011 - Protective Agents > D011837 - Radiation-Protective Agents Amifostine thiol (WR-1065) is an active metabolite of the cytoprotector Amifostine (HY-B0639). Amifostine thiol is a cytoprotective agent with radioprotective abilities. Amifostine thiol activates p53 through a JNK-dependent signaling pathway[1][2][3].
3-Phenylpropanal
A benzene which is substituted by a 3-oxopropyl group at position 1.
L-canaline zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-canaline; major species at pH 7.3.
p-Mentha-1,3,8-triene
A monoterpene that is cyclohexa-1,3-diene substituted at positions 1 and 4 by methyl and prop-1-en-2-yl groups respectively.
WR-1065
An alkanethiol that is the N-3-aminopropyl derivative of cysteamine. Used as the S-phosphorylated prodrug, amifostine, for cytoprotection in cancer chemotherapy and radiotherapy.
1,5-decadiyne
{"Ingredient_id": "HBIN001651","Ingredient_name": "1,5-decadiyne","Alias": "NA","Ingredient_formula": "C10H14","Ingredient_Smile": "CCCCC#CCCC#C","Ingredient_weight": "134.22 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40692","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "104660","DrugBank_id": "NA"}
(1S,5S)-7,7-dimethyl-2-methylenebicyclo[3.1.1]hept-3-ene
{"Ingredient_id": "HBIN003307","Ingredient_name": "(1S,5S)-7,7-dimethyl-2-methylenebicyclo[3.1.1]hept-3-ene","Alias": "(1S,5S)-7,7-dimethyl-2-methylene-bicyclo[3.1.1]hept-3-ene; (1S,5S)-7,7-dimethyl-2-methylidenebicyclo[3.1.1]hept-3-ene; (1S,5S)-7,7-dimethyl-2-methylidene-bicyclo[3.1.1]hept-3-ene","Ingredient_formula": "C10H14","Ingredient_Smile": "NA","Ingredient_weight": "134.22","OB_score": "37.70769625","CAS_id": "4080-46-0","SymMap_id": "SMIT04412","TCMID_id": "NA","TCMSP_id": "MOL002108","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-Cyclopentenyl)furan
{"Ingredient_id": "HBIN003565","Ingredient_name": "2-(1-Cyclopentenyl)furan","Alias": "NA","Ingredient_formula": "C9H10O","Ingredient_Smile": "C1CC=C(C1)C2=CC=CO2","Ingredient_weight": "134.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33836","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "584283","DrugBank_id": "NA"}
3- ethyl- benzaldehyde
{"Ingredient_id": "HBIN008527","Ingredient_name": "3- ethyl- benzaldehyde","Alias": "NA","Ingredient_formula": "C9H10O","Ingredient_Smile": "CCC1=CC(=CC=C1)C=O","Ingredient_weight": "134.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34876","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "118623","DrugBank_id": "NA"}
benzene,1-methyl-3-(1-methylethyl
{"Ingredient_id": "HBIN017746","Ingredient_name": "benzene,1-methyl-3-(1-methylethyl","Alias": "NA","Ingredient_formula": "C10H14","Ingredient_Smile": "CC1=CC(=CC=C1)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40050","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
benzene,1-methyl-3-[1-methylethyl]-
{"Ingredient_id": "HBIN017748","Ingredient_name": "benzene,1-methyl-3-[1-methylethyl]-","Alias": "NA","Ingredient_formula": "C10H14","Ingredient_Smile": "CC1=CC(=CC=C1)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40458","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta-Methoxystyrene
{"Ingredient_id": "HBIN018190","Ingredient_name": "beta-Methoxystyrene","Alias": "[(E)-2-methoxyvinyl]benzene; EINECS 225-265-1; 2-methoxyethenylbenzene; 344903-89-5; 2-methoxyvinylbenzene; Benzene, (2-methoxyethenyl)-; .beta.-Methoxystyrene; Methyl alpha-styryl ether; 4747-15-3; [(E)-2-methoxyethenyl]benzene","Ingredient_formula": "C9H10O","Ingredient_Smile": "COC=CC1=CC=CC=C1","Ingredient_weight": "134.18","OB_score": "26.54116611","CAS_id": "344903-89-5","SymMap_id": "SMIT11578","TCMID_id": "NA","TCMSP_id": "MOL010548","TCM_ID_id": "NA","PubChem_id": "5368493","DrugBank_id": "NA"}