Exact Mass: 142.09937440000002
Exact Mass Matches: 142.09937440000002
Found 500 metabolites which its exact mass value is equals to given mass value 142.09937440000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ectoine
Ectoine belongs to the class of organic compounds known as alpha-amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Ectoine has been identified in urine (PMID: 22409530). CONFIDENCE standard compound; ML_ID 37 C26170 - Protective Agent KEIO_ID E011 Ectoine is a natural cell protectant, an amino acid derivate produced by bacteria living under extremely harsh environmental conditions. Ectoine serves as an osmoregulatory compatible solute, increasing the hydration of the skin surface and stabilizing lipid layers, which is useful in skincare. Ectoine demonstrates a good safety profile for the treatment of allergic rhinitis[1][2].
Cyclohexyl acetate
Cyclohexyl acetate, also known as adronal acetate, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Cyclohexyl acetate is a sweet, ethereal, and fruity tasting compound. Cyclohexyl acetate has been detected, but not quantified, in several different foods, such as brassicas, onion-family vegetables, pulses, and soy beans. Cyclohexyl acetate is a flavouring agent. It is found in many foods, some of which are pulses, soy bean, brassicas, and onion-family vegetables.
2-METHYLNAPHTHALENE
2-methylnaphthalene, also known as 2-methylnaphthalene, lithium salt, ion(1-) or 2-methylnaphthalene, naphthalene-1-(13)c-labeled, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 2-methylnaphthalene can be found in corn, which makes 2-methylnaphthalene a potential biomarker for the consumption of this food product. 2-methylnaphthalene is potentially toxic compound. On February 22, 2014, NASA announced a greatly upgraded database for detecting and monitoring PAHs, including 2-methylnaphthalene, in the universe. According to NASA scientists, over 20\\% of the carbon in the universe may be associated with PAHs, possible starting materials for the formation of life. PAHs seem to have been formed shortly after the Big Bang, are abundant in the universe, and are associated with new stars and exoplanets . Acute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. Some symptoms of hemolytic anemia are fatigue, lack of appetite, restlessness, and pale skin. Exposure to large amounts of 2-methylnapthalene may also cause nausea, vomiting, diarrhea, blood in the urine, and a yellow color to the skin (A10, L12).
4-ene-Valproic acid
4-ene-Valproic acid is only found in individuals that have used or taken Valproic Acid. 4-ene-Valproic acid is a metabolite of Valproic Acid. 4-ene-valproic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain. D009676 - Noxae > D013723 - Teratogens
2-ene-Valproic acid
2-ene-Valproic acid is only found in individuals that have used or taken Valproic Acid.2-ene-Valproic acid is a metabolite of Valproic Acid. 2-ene-valproic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain. D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D009676 - Noxae > D013723 - Teratogens
(3Z)-2-Propylpent-3-enoic acid
(3Z)-2-Propylpent-3-enoic acid is only found in individuals that have used or taken Valproic Acid. (3Z)-2-Propylpent-3-enoic acid is a metabolite of Valproic Acid. (3z)-2-propylpent-3-enoic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
2-Propenyl 3-methylbutanoate
2-Propenyl 3-methylbutanoate, also known as allyl isovalerate or 2-propenyl isopentanoate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. 2-Propenyl 3-methylbutanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2-Propenyl 3-methylbutanoate is a potentially toxic compound. Flavouring ingredient
1-Methylnaphthalene
1-Methylnaphthalene is found in black walnut. 1-Methylnaphthalene is a flavouring ingredient. Flavouring ingredient. 1-Methylnaphthalene is found in black walnut.
cis-3-Hexenyl acetate
cis-3-Hexenyl acetate, also known as (Z)-3-hexenol acetic acid or acetate(3Z)-3-hexen-1-ol, is an acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. It has a role as a metabolite. It is an acetate ester and an olefinic compound. It derives from a (Z)-hex-3-en-1-ol and an acetic acid. It belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). cis-3-Hexenyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. cis-3-Hexenyl acetate is a sweet, apple, and banana tasting compound. cis-3-Hexenyl acetate has been detected, but not quantified, in several different foods, such as tamarinds, sunburst squash (pattypan squash), carobs, pepper (Capsicum baccatum), and swedes. Present in green tea and fruit volatiles. Flavouring component. cis-3-Hexenyl acetate is found in many foods, some of which are skunk currant, spirulina, dill, and green vegetables.
Nonanal
Nonanal, also known as nonyl aldehyde or pelargonaldehyde, belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, nonanal is considered to be a fatty aldehyde lipid molecule. Nonanal acts synergistically with carbon dioxide in that regard. Nonanal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Nonanal exists in all eukaryotes, ranging from yeast to humans. Nonanal is an aldehydic, citrus, and fat tasting compound. nonanal is found, on average, in the highest concentration in a few different foods, such as corns, tea, and gingers and in a lower concentration in sweet oranges, carrots, and limes. nonanal has also been detected, but not quantified, in several different foods, such as olives, cereals and cereal products, chinese cinnamons, common grapes, and oats. This could make nonanal a potential biomarker for the consumption of these foods. Nonanal has been identified as a compound that attracts Culex mosquitoes. Nonanal is a potentially toxic compound. Nonanal has been found to be associated with several diseases such as pervasive developmental disorder not otherwise specified, autism, crohns disease, and ulcerative colitis; also nonanal has been linked to the inborn metabolic disorders including celiac disease. Nonanal, also called nonanaldehyde, pelargonaldehyde or Aldehyde C-9, is an alkyl aldehyde. Although it occurs in several natural oils, it is produced commercially by hydroformylation of 1-octene. A colourless, oily liquid, nonanal is a component of perfumes. Nonanal is a clear brown liquid characterized by a rose-orange odor. Insoluble in water. Found in at least 20 essential oils, including rose and citrus oils and several species of pine oil. Nonanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite and a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde. It is functionally related to a nonanoic acid. Nonanal is a natural product found in Teucrium montanum, Eupatorium cannabinum, and other organisms with data available. Nonanal is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease.Nonanal belongs to the family of Medium-chain Aldehydes. These are An aldehyde with a chain length containing between 6 and 12 carbon atoms. Found in various plant sources including fresh fruits, citrus peels, cassava (Manihot esculenta), rice (Oryza sativa). Flavouring ingredient A saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism. Nonanal is a saturated fatty aldehyde with antidiarrhoeal activity[1]. Nonanal is a saturated fatty aldehyde with antidiarrhoeal activity[1].
2-Nonanone
2-Nonanone is found in alcoholic beverages. 2-Nonanone is present in banana, ginger, Brazil nut, attar of rose, clove oil, coconut oil, passionflower, sorghum, asparagus, tomato, corn, wine, cheese, beer, blackcurrant buds, melon, and strawberry jam. 2-Nonanone is a flavor and fragrance agent. It is a clear slightly yellow liquid. Ketones, such as 2-Nonanone, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Present in banana, ginger, Brazil nut, attar of rose, clove oil, coconut oil, passionflower, sorghum, asparagus, tomato, corn, wine, cheese, beer, blackcurrant buds, melon, strawberry jam etc. Flavouring ingredient. 2-Nonanone is found in many foods, some of which are green vegetables, cereals and cereal products, watermelon, and cloves.
2-Hexenyl acetate
2-Hexenyl acetate is found in fruits. 2-Hexenyl acetate is found in strawberry (Fragaria) and other fruits and essential oils. 2-Hexenyl acetate is used in artificial fruit flavours. Found in strawberry (Fragaria) and other fruits and essential oils. It is used in artificial fruit flavours
(Z)-6-Nonen-1-ol
(Z)-6-Nonen-1-ol is found in fruits. (Z)-6-Nonen-1-ol is a flavouring ingredient. (Z)-6-Nonen-1-ol is present in melon (Cucumis melo). (Z)-6-Nonen-1-ol is a flavouring ingredient. It is found in melon (Cucumis melo) and green vegetables.
Ethyl 2-methyl-3-pentenoate
Ethyl 2-methyl-3-pentenoate is a flavouring agent. Flavouring agent
2-Octenoic acid
2-Octenoic acid, also known as 2-octenoate, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 2-Octenoic acid has 8 carbon atoms. 2-Octenoic acid is also known as an olefinic fatty acid carrying a double bond at position 2. It can exist in two isomeric forms, the cis and the trans form, with the trans or 2-E form being more abundant. 2-Octenoic acid is a relatively hydrophobic molecule with a water solubility of approximately 1 g/L. The 2E-isomer has a musty, sour, cheesy aroma and a fatty or waxy taste. 2-Octenoic acid is found in the human body and is naturally produced by hepatic microsomal oxidation of aliphatic aldehydes. 2-Octenoic acid has been detected in human urine and plasma (PMID 1883862, 8087979, 4086594, 1417834, 6480773). 2-Octenoic acid has also been identified as a potential pheromone excreted by the male abdominal glands of the cockroach Leucophaea maderae (PMID: 17200891). Outside the human body 2-Octenoic acid has been detected in coffee, cranberries, mushrooms, black tea and strawberries. It is also used as a food flavourant for baked goods and candies. 2-Octenoic acid is a normal organic acid produced by hepatic microsomal oxidation of aliphatic aldehydes and is a metabolite naturally found in the urine and plasma. (PMID 1883862, 8087979, 4086594, 1417834, 6480773) [HMDB]
trans-3-Hexenyl acetate
trans-3-Hexenyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2,3-Octanedione
2,3-Octanedione is found in coffee and coffee products. 2,3-Octanedione is a flavouring material for coffe Flavouring material for coffee. 2,3-Octanedione is found in coffee and coffee products and rosemary.
(E)-4-Octenoic acid
(E)-4-Octenoic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
3-Nonanone
3-Nonanone is found in animal foods. 3-Nonanone is a flavouring ingredient. 3-Nonanone is present in banana, passion fruit and cooked bee 3-Nonanone is a flavouring ingredient. It is found in banana, passion fruit and cooked beef.
Ethyl trans-2-methyl-2-pentenoate
Ethyl trans-2-methyl-2-pentenoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Cyclohexaneacetic acid
Cyclohexaneacetic acid is a flavouring ingredien Flavouring ingredient Cyclohexaneacetic acid is an endogenous metabolite.
(Z)-3-Nonen-1-ol
Isolated from cucumber and watermelons. (Z)-3-Nonen-1-ol is found in muskmelon, fruits, and green vegetables. (Z)-3-Nonen-1-ol is found in fruits. (Z)-3-Nonen-1-ol is isolated from cucumber and watermelon
Methyl cyclohexanecarboxylate
Methyl cyclohexanecarboxylate is a flavouring ingredien Flavouring ingredient Methyl cyclohexanecarboxylate is an endogenous metabolite.
2-Nonen-1-ol
2-Nonen-1-ol is found in alcoholic beverages. 2-Nonen-1-ol is used in food flavouring. 2-Nonen-1-ol is present in melon, cucumber, chicken fat, armagnac, brown algae, nectarine and prickly pear (Opuntia ficus Indica). 2-Nonen-1-ol is used in food flavouring. It is found in melon, cucumber, chicken fat, armagnac, brown algae, nectarine and prickly pear (Opuntia ficus Indica).
1-Nonen-3-ol
1-Nonen-3-ol is found in green vegetables. 1-Nonen-3-ol is isolated from Petasites japonicus (sweet coltsfoot). Isolated from Petasites japonicus (sweet coltsfoot). 1-Nonen-3-ol is found in green vegetables.
4-Butyl-gamma-butyrolactone
Present in apricots, peaches and other fruits. Flavouring ingredient [DFC]. 4-Butyl-gamma-butyrolactone is found in many foods, some of which are peach, bilberry, papaya, and pineapple. 4-Butyl-gamma-butyrolactone is found in bilberry. 4-Butyl-gamma-butyrolactone is present in apricots, peaches and other fruits. 4-Butyl-gamma-butyrolactone is a flavouring ingredien
Amyl propyl ketone
Amyl propyl ketone is found in herbs and spices. Amyl propyl ketone is isolated from lemongras
xi-Tetrahydro-6-propyl-2H-pyran-2-one
xi-Tetrahydro-6-propyl-2H-pyran-2-one belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. xi-Tetrahydro-6-propyl-2H-pyran-2-one is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, XI-tetrahydro-6-propyl-2H-pyran-2-one is considered to be a fatty ester lipid molecule. xi-Tetrahydro-6-propyl-2H-pyran-2-one has been detected, but not quantified, in fats and oils and fruits. This could make XI-tetrahydro-6-propyl-2H-pyran-2-one a potential biomarker for the consumption of these foods. It is used in food flavouring. Isolated from many substances including coconut and butter oils, fruits (e.g. strawberry, pineapple) and cooked meats. xi-Tetrahydro-6-propyl-2H-pyran-2-one is found in fats and oils, animal foods, and fruits.
trans-2-Octenoic acid
trans-2-Octenoic acid or (2E)-oct-2-enoic acid is an olefinic fatty acid that is octanoic acid carrying a double bond at position 2 (the 2E-isomer). It has a role as an animal metabolite. It is a medium-chain fatty acid, a monounsaturated fatty acid, a straight-chain fatty acid and an olefinic fatty acid. It is a conjugate acid of a (2E)-oct-2-enoate. Food flavourant for baked goods and candies (E)-Oct-2-enoic acid is an endogenous metabolite. (E)-Oct-2-enoic acid is an endogenous metabolite.
(3E)-2-Propylpent-3-enoic acid
(3E)-2-Propylpent-3-enoic acid is only found in individuals that have used or taken Valproic Acid. (3E)-2-Propylpent-3-enoic acid is a metabolite of Valproic Acid. (3e)-2-propylpent-3-enoic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Dihydroisophorol
Dihydroisophorol is a flavouring ingredien Flavouring ingredient
Ethyl (±)-2-methyl-4-pentenoate
Ethyl (±)-2-methyl-4-pentenoate is a flavouring agent Flavouring agent
2,6-Dimethyl-4-heptanone
2,6-Dimethyl-4-heptanone, also known as isobutyl N-propyl ketone or diisobutyl ketone, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. 2,6-Dimethyl-4-heptanone is a flavouring ingredient belonging to the family of Ketones. 2,6-Dimethyl-4-heptanone is a banana, fruity, and green tasting compound. 2,6-Dimethyl-4-heptanone is a potentially toxic compound. Flavouring ingredient
2-Methyloctanal
(±)-2-Methyloctanal is a flavouring ingredien It is used as a food additive .
3,5,5-Trimethylhexanal
(±)-3,5,5-Trimethylhexanal is a flavouring ingredient. Flavouring ingredient
Allyl valerate
Allyl valerate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
cis-5-Octenoic acid
Cis-5-octenoic acid, also known as cis-5-octenoate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, cis-5-octenoic acid is considered to be a fatty acid lipid molecule. Cis-5-octenoic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cis-5-octenoic acid has a fatty and greasy taste. cis-5-Octenoic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Ethyl (E)-3-hexenoate
Ethyl (E)-3-hexenoate is found in fruits. Ethyl (E)-3-hexenoate is present in melon, yellow and purple passion fruits, quince, Chinese quince, prickly pear, kiwi fruit and Mexican breadfruit (Monstera deliciosa). Ethyl (E)-3-hexenoate is a flavouring agent. Present in melon, yellow and purple passion fruits, quince, Chinese quince, prickly pear, kiwi fruit and Mexican breadfruit (Monstera deliciosa). Flavouring agent. Ethyl (E)-3-hexenoate is found in fruits.
Ethyl 5-hexenoate
Ethyl 5-hexenoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Ethyl 2E-hexenoate
Ethyl 2E-hexenoate is a flavouring agent. It is used as a food additive .
2-Methylpropyl (2E)-butenoate
2-Methylpropyl (2E)-butenoate is a flavouring ingredien Flavouring ingredient
2-Methylallyl butyrate
2-Methylallyl butyrate is a flavouring ingredien Flavouring ingredient
(±)-2,6-Dimethyl-6-hepten-1-ol
2,6-Dimethyl-6-hepten-1-ol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
Isopropyl tiglate
Isopropyl tiglate is a flavouring ingredient. Flavouring ingredient
xi-Tetrahydro-3-propyl-2H-pyran-2-one
xi-Tetrahydro-3-propyl-2H-pyran-2-one is found in fruits. xi-Tetrahydro-3-propyl-2H-pyran-2-one is detected in date aroma (Phoenix dactylifera). Detected in date aroma (Phoenix dactylifera). xi-Tetrahydro-3-propyl-2H-pyran-2-one is found in fruits.
Methyl 2-heptenoate
Methyl 2-heptenoate is found in alcoholic beverages. Both (E)- and (Z)-forms present in wine and pomace from Muscat de Frontignan grapes. Both (E)- and (Z)-forms present in wine and pomace from Muscat de Frontignan grapes. Methyl 2-heptenoate is found in alcoholic beverages.
(Z)-2-Nonen-1-ol
(Z)-2-Nonen-1-ol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
(E)-3-Nonen-1-ol
(E)-3-Nonen-1-ol is a flavour and fragrance ingredient [CCD]. Flavour and fragrance ingredient [CCD]
(E)-6-Nonenol
(E)-6-Nonenol belongs to the family of Fatty Alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.
Ethyl-3-hexanoate
Ethyl-3-hexanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
N-(2-Amino-2-oxoethyl)-2-methylprop-2-enamide
C6H10N2O2 (142.07422400000002)
Piracetam
C6H10N2O2 (142.07422400000002)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents Piracetam (UCB-6215) is a cyclic derivative of the neurotransmitter gamma-aminobutyric acid (GABA), used in treatment of a wide range of cognitive disorders.
Hex-trans-2-enyl acetate
Hex-trans-2-enyl acetate is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Hex-trans-2-enyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Hex-trans-2-enyl acetate can be found in tea, which makes hex-trans-2-enyl acetate a potential biomarker for the consumption of this food product.
Propyl angelate
Propyl angelate, also known as propyl angelic acid, is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Propyl angelate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Propyl angelate can be found in roman camomile, which makes propyl angelate a potential biomarker for the consumption of this food product.
piracetam
C6H10N2O2 (142.07422400000002)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3076 Piracetam (UCB-6215) is a cyclic derivative of the neurotransmitter gamma-aminobutyric acid (GABA), used in treatment of a wide range of cognitive disorders.
2,6-Dimethyl-5-hepten-1-ol
An olefinic compound that is hept-5-en-1-ol substituted by methyl groups at positions 2 and 6 respectively.
Undeca-1,3t,9t-trien-5,7-diin|undeca-1,3t,9t-triene-5,7-diyne
1-Undecene-5,7,9-triyne|undec-1-ene-5,7,9-triyne|Undecaen-(1)-triin-(5,7,9)
Amide-nitrile-3-Hydroxy-3-methylpentanedioic acid
C6H10N2O2 (142.07422400000002)
2-Octenoic acid
(E)-Oct-2-enoic acid is an endogenous metabolite. (E)-Oct-2-enoic acid is an endogenous metabolite.
ectoine
C6H10N2O2 (142.07422400000002)
C26170 - Protective Agent Ectoine is a natural cell protectant, an amino acid derivate produced by bacteria living under extremely harsh environmental conditions. Ectoine serves as an osmoregulatory compatible solute, increasing the hydration of the skin surface and stabilizing lipid layers, which is useful in skincare. Ectoine demonstrates a good safety profile for the treatment of allergic rhinitis[1][2].
Trans-2-octenoic acid
2-octenoic acid, also known as (E)-2-octenoate or trans-alpha-octenoic acid, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, 2-octenoic acid is considered to be a fatty acid lipid molecule. 2-octenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Within the cell, 2-octenoic acid is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. 2-octenoic acid exists in all eukaryotes, ranging from yeast to humans. In humans, 2-octenoic acid is involved in the fatty acid biosynthesis. (E)-Oct-2-enoic acid is an endogenous metabolite. (E)-Oct-2-enoic acid is an endogenous metabolite.
1,5,5-Trimethylhydantoin; LC-tDDA; CE10
C6H10N2O2 (142.07422400000002)
1,5,5-Trimethylhydantoin; LC-tDDA; CE20
C6H10N2O2 (142.07422400000002)
1,5,5-Trimethylhydantoin; LC-tDDA; CE30
C6H10N2O2 (142.07422400000002)
1,5,5-Trimethylhydantoin; AIF; CE0; MS2Dec
C6H10N2O2 (142.07422400000002)
1,5,5-Trimethylhydantoin; AIF; CE10; MS2Dec
C6H10N2O2 (142.07422400000002)
1,5,5-Trimethylhydantoin; AIF; CE30; MS2Dec
C6H10N2O2 (142.07422400000002)
1,5,5-Trimethylhydantoin; AIF; CE0; CorrDec
C6H10N2O2 (142.07422400000002)
1,5,5-Trimethylhydantoin; AIF; CE10; CorrDec
C6H10N2O2 (142.07422400000002)
1,5,5-Trimethylhydantoin; AIF; CE30; CorrDec
C6H10N2O2 (142.07422400000002)
1,5,5-Trimethylhydantoin; LC-tDDA; CE40
C6H10N2O2 (142.07422400000002)
Nonanal
Nonanal is a saturated fatty aldehyde with antidiarrhoeal activity[1]. Nonanal is a saturated fatty aldehyde with antidiarrhoeal activity[1].
FEMA 3568
Methyl cyclohexanecarboxylate is an endogenous metabolite.
FA 8:1
D009676 - Noxae > D013723 - Teratogens (E)-Oct-2-enoic acid is an endogenous metabolite. (E)-Oct-2-enoic acid is an endogenous metabolite.
2-amino-5-propan-2-yl-1,3-oxazol-4-one
C6H10N2O2 (142.07422400000002)
5-isopropylimidazolidine-2,4-dione
C6H10N2O2 (142.07422400000002)
(3-ISOPROPYL-1,2,4-OXADIAZOL-5-YL)METHANOL
C6H10N2O2 (142.07422400000002)
4-(HYDRAZINOMETHYLIDENE)-2-METHYLTETRAHYDROFURAN-3-ONE
C6H10N2O2 (142.07422400000002)
METHYL 1-METHYL-2-IMIDAZOLINE-4-CARBOXYLATE
C6H10N2O2 (142.07422400000002)
1H-Imidazole-4-carboxylicacid,4,5-dihydro-4-methyl-,methylester,(S)-(9CI)
C6H10N2O2 (142.07422400000002)
Ethyl 4,5-dihydro-1H-pyrazole-5-carboxylate
C6H10N2O2 (142.07422400000002)
4-(2-HYDROXYETHYL)-5-METHYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
C6H10N2O2 (142.07422400000002)
2-hydrazinyl-2,3-dihydro-6-methylpyrimidin-4(1H)-one
2-(1-Aminoethyl)-4-methyl-5(4H)-oxazolone
C6H10N2O2 (142.07422400000002)
3-Octenoic Acid
3-octenoic acid, also known as 3-octenoate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 3-octenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-octenoic acid is a fatty and oily tasting compound found in burdock, which makes 3-octenoic acid a potential biomarker for the consumption of this food product.
2-Cyano-N-(2-Methoxy-Ethyl)-Acetamide
C6H10N2O2 (142.07422400000002)
1-Methyl-2-Pyrrolidinone-4-Carboxamide
C6H10N2O2 (142.07422400000002)
4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one
(1s,3s)-3-amino-N,N-dimethylcyclobutane-1-carboxamide
(5-propyl-1,2,4-oxadiazol-3-yl)methanol
C6H10N2O2 (142.07422400000002)
(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol
C6H10N2O2 (142.07422400000002)
3-Piperidinecarboxamide,6-oxo-(9CI)
C6H10N2O2 (142.07422400000002)
1,3-Dimethyldihydro-2,4(1H,3H)-pyrimidinedione
C6H10N2O2 (142.07422400000002)
Cyclohexanecarboximidamide, N-hydroxy- (Related Reference)
2,4(1H,3H)-Pyrimidinedione,dihydro-6,6-dimethyl-
C6H10N2O2 (142.07422400000002)
Pyrimidine, 5-amino-4-fluoro-6-(methylamino)- (7CI,8CI)
4-(2-hydroxyethyl)-5-methyl-2,4-dihydropyrazol-3-one
C6H10N2O2 (142.07422400000002)
2-Methyl-4-carboxy-3,4,5,6-tetrahydropyrimidine
C6H10N2O2 (142.07422400000002)
L-histidinol(1+)
C6H12N3O+ (142.09803219999998)
An ammonium ion that is the conjugate acid of L-histidinol arising from protonation of the primary amino function; major species at pH 7.3.
O5209_ALDRICH
(E)-Oct-2-enoic acid is an endogenous metabolite. (E)-Oct-2-enoic acid is an endogenous metabolite.
(6S)-2-methyl-3,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylate
C6H10N2O2 (142.07422400000002)
2-enevalproic acid
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D009676 - Noxae > D013723 - Teratogens
3-methyl-4-{[(1Z)-prop-1-en-1-yl]oxy}butanal
An olefinic compound that is butanal substituted by a methyl group at position 3 and a [(1Z)-prop-1-en-1-yl]oxy group at position 4 respectively.
Methylnaphthalene
A methylnaphthalene carrying a methyl substituent at position 1.
GAMMA-OCTALACTONE
A gamma-lactone that is oxolan-2-one substituted by a butyl group at position 5. It is a volatile compound found in peaches, mangoes, beef and ham.
Methyl cyclohexanoate
A methyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with methanol. Methyl cyclohexanecarboxylate is an endogenous metabolite.
2-Ene-vpa
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D009676 - Noxae > D013723 - Teratogens
(3Z)-Hex-3-en-1-yl acetate
An acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol.
(e)-Hex-2-enyl acetate
An acetate ester resulting from the formal condensation of the hydroxy group of (E)-hex-2-en-1-ol with the carboxy group of acetic acid.
(5Z)-5-Octenoic acid
An olefinic fatty acid that is octanoic acid carrying a double bond at position 5 (the 5Z-isomer).
(2E)-Oct-2-enoic acid
An olefinic fatty acid that is octanoic acid carrying a double bond at position 2 (the 2E-isomer).
4-Butyl-gamma-butyrolactone
A butan-4-olide that is gamma-butyrolactone substituted by a butyl group at position 4.
(2s)-5-imino-1-methylpyrrolidine-2-carboxylic acid
C6H10N2O2 (142.07422400000002)
(3s,6s)-3,6-dimethyl-3,6-dihydropyrazine-2,5-diol
C6H10N2O2 (142.07422400000002)
1,4-dihydro-1,4-methanonaphthalene
{"Ingredient_id": "HBIN001426","Ingredient_name": "1,4-dihydro-1,4-methanonaphthalene","Alias": "NA","Ingredient_formula": "C11H10","Ingredient_Smile": "C1C2C=CC1C3=CC=CC=C23","Ingredient_weight": "142.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40685","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "97391","DrugBank_id": "NA"}
1H-Benzocycloheptene
{"Ingredient_id": "HBIN002555","Ingredient_name": "1H-Benzocycloheptene","Alias": "NA","Ingredient_formula": "C11H10","Ingredient_Smile": "C1C=CC=C2C1=CC=CC=C2","Ingredient_weight": "142.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38217","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21319341","DrugBank_id": "NA"}
2,5-Dimethyl-1,5-hexadiene-3,4-diol
{"Ingredient_id": "HBIN004647","Ingredient_name": "2,5-Dimethyl-1,5-hexadiene-3,4-diol","Alias": "NA","Ingredient_formula": "C8H14O2","Ingredient_Smile": "CC(=C)C(C(C(=C)C)O)O","Ingredient_weight": "142.2 g/mol","OB_score": "14.82313282","CAS_id": "1031361","SymMap_id": "SMIT05975","TCMID_id": "NA","TCMSP_id": "MOL003982","TCM_ID_id": "NA","PubChem_id": "263169","DrugBank_id": "NA"}
3,6,7,8-tetrahydro-1,4-diazocine-2,5-diol
C6H10N2O2 (142.07422400000002)
(1s,5s)-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane
5-imino-1-methylpyrrolidine-2-carboxylic acid
C6H10N2O2 (142.07422400000002)