Exact Mass: 144.079
Exact Mass Matches: 144.079
Found 500 metabolites which its exact mass value is equals to given mass value 144.079,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Naphthol
1-Naphthol, or ?-naphthol, is a colorless crystalline solid with the formula C10H7OH. It is an isomer of 2-naphthol differing by the location of the hydroxyl group on naphthalene. The naphthols are naphthalene homologues of phenol, with the hydroxyl group being more reactive than in the phenols. Both isomers are soluble in simple alcohols, ethers, and chloroform. They can be used in the production of dyes and in organic synthesis.; 1-naphthol (1N) is a metabolite of carbaryl and naphthalene that is an intermediate in Metabolism of xenobiotics by cytochrome P450. It is generated by spontaneous reaction from (1R,2S)-Naphthalene epoxide then is it converted to 1,4-Dihydroxynaphthalene. Although 1-Naphthol is not persistent in the body, a single urine sample may adequately predict exposure over several months to chlorpyrifos, which is a broad-spectrum organophosphate insecticide. In adult men, TCPY and 1N were associated with reduced testosterone levels (PMID: 16357596, 15579421). Naphthalen-1-ol is found in black walnut. 1-naphthol (1N) is a metabolite of carbaryl and naphthalene that is an intermediate in Metabolism of xenobiotics by cytochrome P450. It is generated by spontaneous reaction from (1R,2S)-Naphthalene epoxide then is it converted to 1,4-Dihydroxynaphthalene. Although 1-Naphthol is not persistent in the body, a single urine sample may adequately predict exposure over several months to chlorpyrifos, which is a broad-spectrum organophosphate insecticide. In adult men, TCPY and 1N were associated with reduced testosterone levels (PMID:16357596, 15579421). CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8253; ORIGINAL_PRECURSOR_SCAN_NO 8251 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9487; ORIGINAL_PRECURSOR_SCAN_NO 9486 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8287; ORIGINAL_PRECURSOR_SCAN_NO 8285 ORIGINAL_PRECURSOR_SCAN_NO 9486; CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9487 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4807; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4732; ORIGINAL_PRECURSOR_SCAN_NO 4731 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9506; ORIGINAL_PRECURSOR_SCAN_NO 9505 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4799 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4717; ORIGINAL_PRECURSOR_SCAN_NO 4715 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8261; ORIGINAL_PRECURSOR_SCAN_NO 8259 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4771; ORIGINAL_PRECURSOR_SCAN_NO 4767 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8267; ORIGINAL_PRECURSOR_SCAN_NO 8265 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4777 CONFIDENCE standard compound; INTERNAL_ID 46 1-naphthol is an excited state proton transfer (ESPT) fluorescent molecular probe. 1-naphthol is an excited state proton transfer (ESPT) fluorescent molecular probe.
Caprylic acid
Caprylic acid is the common name for the eight-carbon straight-chain fatty acid known by the systematic name octanoic acid. It is found naturally in coconuts and breast milk. It is an oily liquid with a slightly unpleasant rancid taste that is minimally soluble in water. Caprylic acid is used commercially in the production of esters used in perfumery and also in the manufacture of dyes (Wikipedia). Caprylic acid can be found in numerous foods such as Prunus (Cherry, Plum), pineapple sages, black raspberries, and shallots. Caprylic acid is found to be associated with medium-chain acyl-CoA dehydrogenase deficiency, which is an inborn error of metabolism. Widespread in plant oils, free and as glyceridesand is also present in apple, banana, orange juice and peel, pineapple, cognac, calamus, blue cheeses, cheddar cheese, Swiss cheese, feta cheese and other cheeses. Flavouring agent, defoamer, lubricant, binder and antimicrobial preservative in cheese wraps KEIO_ID C037 Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
2-Naphthol
2-Naphthol is a colorless crystalline solid and an isomer of 1-naphthol, differing by the location of the hydroxyl group on naphthalene. The naphthols are naphthalene homologues of phenol, with the hydroxyl group being more reactive than in the phenols. 2-Naphthol has several different uses including dyes, pigments, fats, oils, insecticides, pharmaceuticals, perfumes, antiseptics, synthesis of fungicides, and antioxidants for rubber. Detection of 2-Naphthol in urine usually results from long-term persistent exposure to pesticides such as chlorpyrifos, but also due to exposure to naphthalene in older types of mothballs, fires that produce polyaromatic hydrocarbons (PAHs), and tobacco smoke. CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4799 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8253; ORIGINAL_PRECURSOR_SCAN_NO 8251 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4807; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4717; ORIGINAL_PRECURSOR_SCAN_NO 4715 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8227; ORIGINAL_PRECURSOR_SCAN_NO 8225 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8267; ORIGINAL_PRECURSOR_SCAN_NO 8265 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4777 ORIGINAL_ACQUISITION_NO 8267; CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 8265 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8261; ORIGINAL_PRECURSOR_SCAN_NO 8259 ORIGINAL_PRECURSOR_SCAN_NO 4731; CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4732 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4732; ORIGINAL_PRECURSOR_SCAN_NO 4731 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8211; ORIGINAL_PRECURSOR_SCAN_NO 8209 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8287; ORIGINAL_PRECURSOR_SCAN_NO 8285 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4771; ORIGINAL_PRECURSOR_SCAN_NO 4767 C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Trace constituent of essential oils 2-Naphthol is a metabolite of naphthalene, catalyzed by cytochrome P450 (CYP) isozymes (CYP 1A1, CYP 1A2, CYP 2A1, CYP 2E1 and CYP 2F2).
Valproic acid
Valproic acid (VPA) is considered to be a drug of first choice and one of the most frequently-prescribed antiepileptic drugs worldwide for the therapy of generalized and focal epilepsies, including special epileptic. It is a broad-spectrum antiepileptic drug and is usually well tolerated. Rarely, serious complications may occur in some patients, including hemorrhagic pancreatitis, coagulopathies, bone marrow suppression, VPA-induced hepatotoxicity and encephalopathy, but there is still a lack of knowledge about the incidence and occurrence of these special side effects. VPA has been approved for stabilization of manic episodes in patients with bipolar disorder. It is also used to treat migraine headaches and schizophrenia. As the use of VPA increases, the number of both accidental and intentional exposures increases. This is paralleled by more reports of VPA-induced toxicity. VPA is relatively contraindicated in pregnancy due to its teratogenicity. It is a known folate antagonist, which can cause neural tube defects. Thus, folic acid supplements may alleviate teratogenic problems. Women who become pregnant whilst taking valproate should be counselled as to its risks. VPA is an inhibitor of the enzyme histone deacetylase 1 (HDAC1). HDAC1 is needed for HIV to remain in infected cells. Patients treated with valproic acid in addition to highly active antiretroviral therapy (HAART) showed a median 75\\% reduction in latent HIV infection. VPA is believed to affect the function of the neurotransmitter GABA (as a GABA transaminase inhibitor) in the human brain. Valproic Acid dissociates to the valproate ion in the gastrointestinal tract. (PMID: 18201150, 17496767) [HMDB] Valproic acid (VPA) is considered to be a drug of first choice and one of the most frequently-prescribed antiepileptic drugs worldwide for the therapy of generalized and focal epilepsies, including special epileptic. It is a broad-spectrum antiepileptic drug and is usually well tolerated. Rarely, serious complications may occur in some patients, including hemorrhagic pancreatitis, coagulopathies, bone marrow suppression, VPA-induced hepatotoxicity and encephalopathy, but there is still a lack of knowledge about the incidence and occurrence of these special side effects. VPA has been approved for stabilization of manic episodes in patients with bipolar disorder. It is also used to treat migraine headaches and schizophrenia. As the use of VPA increases, the number of both accidental and intentional exposures increases. This is paralleled by more reports of VPA-induced toxicity. VPA is relatively contraindicated in pregnancy due to its teratogenicity. It is a known folate antagonist, which can cause neural tube defects. Thus, folic acid supplements may alleviate teratogenic problems. Women who become pregnant whilst taking valproate should be counselled as to its risks. VPA is an inhibitor of the enzyme histone deacetylase 1 (HDAC1). HDAC1 is needed for HIV to remain in infected cells. Patients treated with valproic acid in addition to highly active antiretroviral therapy (HAART) showed a median 75\\% reduction in latent HIV infection. VPA is believed to affect the function of the neurotransmitter GABA (as a GABA transaminase inhibitor) in the human brain. Valproic Acid dissociates to the valproate ion in the gastrointestinal tract. (PMID: 18201150, 17496767). D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AG - Fatty acid derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors
4-Hydroxycyclohexylcarboxylic acid
4-Hydroxycyclohexylcarboxylic acid is a rare compound in urinary organic acid analysis. It has been found to be a metabolite of Arthrobacter (http://www.nrcresearchpress.com/doi/pdf/10.1139/m74-202). A rare compound in urinary organic acid analysis [HMDB] 4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1]. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1].
Naphthalene epoxide
Naphthalene epoxide is an epoxide derivative of naphthalene. The toxicity of naphthalene has to do with the Phase I metabolism of this compound by cytochrome P450 monooxygenases. Deactivation of naphthalene involves epoxidation followed by glutathione conjugation and mercapturic acid formation. Naphthalene is stereoselectively metabolized to form (1R,2S)-Naphthalene epoxide and (1S,2R)-Naphthalene epoxide in the presence of CYP1A1 and CYP1A2, CYP2E1,CYP3A4 and CYP2A6. (PMID: 16959878) [HMDB] Naphthalene epoxide is an epoxide derivative of naphthalene. The toxicity of naphthalene has to do with the Phase I metabolism of this compound by cytochrome P450 monooxygenases. Deactivation of naphthalene involves epoxidation followed by glutathione conjugation and mercapturic acid formation. Naphthalene is stereoselectively metabolized to form (1R,2S)-Naphthalene epoxide and (1S,2R)-Naphthalene epoxide in the presence of CYP1A1 and CYP1A2, CYP2E1,CYP3A4 and CYP2A6. (PMID: 16959878).
4-Amino-1-piperidinecarboxylic acid
This compound belongs to the family of Piperidinecarboxylic Acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
N-Nitrosoproline
N-nitrosoproline belongs to the family of Pyrrolidine Carboxylic Acids and Derivatives. These are compounds containing a pyrrolidine ring which bears a carboxylic acid or a derivative thereof.
(1S,2R)-Naphthalene 1,2-oxide
This compound belongs to the family of Benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring.
Butyl butyrate
Butyl butyrate, or butyl butanoate, is an organic compound that is an ester formed by the condensation of butyric acid and n-butanol. It is a clear, colorless liquid that is insoluble in water, but miscible with ethanol and diethyl ether. Its refractive index is 1.406 at 20 °C. Butyl butyrate is found in alcoholic beverages. Butyl butyrate is present in many fruits, e.g. banana, cherry, melon, plum, also present in gruyere de comte cheese, cider, soybean etc. Butyl butyrate is used in fruit flavour compositions Butyl butyrate is an organic compound which is an ester formed by the condensation of butyric acid and butanol. It is a clear, colorless liquid that is insoluble in water, but miscible with ethanol and diethyl ether. Present in many fruits, e.g. banana, cherry, melon, plum, also present in gruyere de comte cheese, cider, soybean etc. It is used in fruit flavour compositions
2-Ethylhexanoic acid
2-Ethylhexanoic acid, also known as 2-ethylhexanoate or alpha-ethylcaproic acid, 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-Ethylhexanoic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2-Ethylhexanoic acid is a potentially toxic compound. Found in grapes
Ethyl levulinate
Ethyl levulinate is a flavouring ingredient. Flavouring ingredient
Ethyl hexanoate
Ethyl hexanoate, also known as ethyl caproate or ethyl hexoic acid, is a fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and a hexanoate ester. Ethyl hexanoate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Found in many fruits, clove bud, corn oil, Camembert cheese, milk, fruit brandies, sparkling wine and Bourbon vanilla. It is used in perfumes and fruit flavours
Hexyl acetate
Hexyl acetate, also known as N-hexyl ethanoate or hexyl acetic acid, 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). The acetate ester of hexan-1-ol. Hexyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Hexyl acetate is a sweet, apple, and banana tasting compound. Hexyl acetate is found, on average, in the highest concentration within highbush blueberries. Hexyl acetate has also been detected, but not quantified, in several different foods, such as alcoholic beverages, pears, oats, roman camomiles, and sweet cherries. This could make hexyl acetate a potential biomarker for the consumption of these foods. Hexyl acetate is used in fruit essences and fruit aroma concentrates. It is found in wines, black tea, soya bean, roman camomile, peach, purple mangosteen, and muskmelon.
Ethyl (±)-3-methylpentanoate
Ethyl (±)-3-methylpentanoate is a flavouring ingredien Flavouring ingredient
Botryodiplodin
Botryodiplodin is a mycotoxin produced by Botryodiplodia theobromae, Penicillium carneoluteus and Penicillium roquefortii. It is isolated from P. roquefortii infected corn silage. Mycotoxin production by Botryodiplodia theobromae, Penicillium carneoluteus and Penicillium roquefortii. Isolated from P. roquefortii infected corn silage
Isopropyl 2-methylbutanoate
Isopropyl 2-methylbutanoate is a flavouring ingredient. Flavouring ingredient
3-Methylbutyl propanoate
3-Methylbutyl propanoate is found in apple. 3-Methylbutyl propanoate is used in food flavouring. It is used in food flavouring. 3-Methylbutyl propanoate is found in roman camomile and apple.
S-(3-Methyl-2-butenyl) ethanethioate
S-(3-Methyl-2-butenyl) ethanethioate is a flavouring ingredien Flavouring ingredient
Ethyl (±)-2-methylpentanoate
Ethyl (±)-2-methylpentanoate is a flavouring ingredien Flavouring ingredient
3-Hydroxy-2-octanone
3-Hydroxy-2-octanone 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 .
(Z)-2-Decene-4,6,8-triyn-1-ol
(Z)-2-Decene-4,6,8-triyn-1-ol is found in mushrooms. (Z)-2-Decene-4,6,8-triyn-1-ol is a metabolite of Fistulina hepatic Metabolite of Fistulina hepatica. (Z)-2-Decene-4,6,8-triyn-1-ol is found in mushrooms.
Pentyl propanoate
Pentyl propanoate is a flavouring ingredient Pentyl propanoate is an organic compound which is the ester formed by the condensation of pentanol and propanoic acid. It is also known as apricot essence Flavouring ingredient
5-Methylquinoxaline
5-Methylquinoxaline is found in coffee and coffee products. 5-Methylquinoxaline is present in coffee. 5-Methylquinoxaline is a flavouring ingredient. Present in coffee. Flavouring ingredient. 5-Methylquinoxaline is found in coffee and coffee products.
2-Aminoquinoline
2-Aminoquinoline is found in mushrooms. 2-Aminoquinoline is an alkaloid from the mushroom Leucopaxillus aebissimus var. paradoxus form albiformis (of unknown palatability). Alkaloid from the mushroom Leucopaxillus aebissimus variety paradoxus form albiformis (of unknown palatability). 2-Aminoquinoline is found in mushrooms.
Tetrahydrofurfuryl acetate
Tetrahydrofurfuryl acetate is a flavouring ingredien Flavouring ingredient
2-Methylheptanoic acid
(±)-2-Methylheptanoic acid is a flavouring ingredien It is used as a food additive .
Isobutyl isobutyrate
Present in apricot, banana, melon, strawberry and other fruitsand is) also present in olive, myrtle berry or leaf, hop oil and white wines. Flavouring agent. Isobutyl isobutyrate is found in many foods, some of which are roman camomile, fruits, alcoholic beverages, and sweet bay. Isobutyl isobutyrate is found in alcoholic beverages. Isobutyl isobutyrate is present in apricot, banana, melon, strawberry and other fruits. Also present in olive, myrtle berry or leaf, hop oil and white wines. Isobutyl isobutyrate is a flavouring agent.
1-Hydroxy-3-octanone
1-Hydroxy-3-octanone is a flavouring ingredien Flavouring ingredient
Butyl isobutyrate
Butyl isobutyrate, also known as fema 2188, 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). Butyl isobutyrate is a sweet, apple, and banana tasting compound. Butyl isobutyrate has been detected, but not quantified, in several different foods, such as alcoholic beverages, fruits, milk and milk products, and pomes. Present in various fruits, e.g. apple, apricot, guava fruit, melonand is) also present in provolone cheese, hop oil, honey, white wine and apple brandy. Flavouring agent. Butyl isobutyrate is found in many foods, some of which are milk and milk products, fruits, pomes, and alcoholic beverages.
2-Methylpropyl butanoate
2-Methylpropyl butanoate is found in apple. 2-Methylpropyl butanoate is found in bananas. 2-Methylpropyl butanoate is used in food flavouring. Found in bananas. It is used in food flavouring.
Propyl 3-methylbutanoate
Propyl 3-methylbutanoate is found in fruits. Propyl 3-methylbutanoate is used in fruit flavouring. Propyl 3-methylbutanoate is present in banana, jackfruit and gruyere de comte chees Propyl 3-methylbutanoate is used in fruit flavouring. It is found in milk and milk products and fruits.
Isopropyl 3-methylbutanoate
Isopropyl 3-methylbutanoate is used in pineapple fruit flavourin It is used in pineapple fruit flavouring.
Methyl heptanoate
Methyl heptanoate is found in pepper (c. frutescens). Methyl heptanoate is a flavouring agent Flavouring agent. Methyl heptanoate is found in pepper (spice) and pepper (c. frutescens).
6-Methylheptanoic acid
6-Methylheptanoic acid is found in alcoholic beverages. 6-Methylheptanoic acid is present in hop oil (Humulus lupulus) as the Me este Present in hop oil (Humulus lupulus) as the Me ester. 6-Methylheptanoic acid is found in alcoholic beverages and fats and oils.
(3R,5Z)-5-Octene-1,3-diol
(3R,5Z)-5-Octene-1,3-diol is found in pomes. (3R,5Z)-5-Octene-1,3-diol is a constituent of apple juice Constituent of apple juice. (3R,5Z)-5-Octene-1,3-diol is found in pomes.
Methyl 5-methylhexanoate
Methyl 5-methylhexanoate is found in alcoholic beverages. Methyl 5-methylhexanoate is isolated from hop oil (Humulus lupulus Isolated from hop oil (Humulus lupulus). Methyl 5-methylhexanoate is found in alcoholic beverages.
2-Ethylbutyl acetate
2-Ethylbutyl acetate is a flavouring ingredien Flavouring ingredient
cis- and trans-2-Isobutyl-4-methyl-1,3-dioxolane
cis- and trans-2-Isobutyl-4-methyl-1,3-dioxolane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1,1-Dimethoxy-trans-2-hexene
1,1-Dimethoxy-trans-2-hexene 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 4-methylpentanoate
Ethyl 4-methylpentanoate 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 .
Valeraldehyde propyleneglycol acetal
Valeraldehyde propyleneglycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Heptyl formate
Heptyl formate is a food flavour Heptyl formate is a food flavou
(±)-5-Hydroxy-4-octanone
(±)-5-Hydroxy-4-octanone is a flavouring agent Flavouring agent
3-(Hydroxymethyl)-2-heptanone
(±)-3-(Hydroxymethyl)-2-heptanone is a food additiv It is used as a food additive
Methyl (R)-3-methyl-2-oxopentanoate
Methyl (R)-3-methyl-2-oxopentanoate is a flavouring ingredient. Flavouring ingredient
Propyl pentanoate
Propyl pentanoate is used in pineapple flavours. It is used in pineapple flavours
Ethyl 2-ethylbutanoate
Ethyl 2-ethylbutanoate 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
N,N'-dinitrosopiperazine
N,n-dinitrosopiperazine belongs to the family of Piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms. D009676 - Noxae > D002273 - Carcinogens
Tetrahydro-2,5-dimethyl-2H-pyranmethanol
Tetrahydro-2,5-dimethyl-2H-pyranmethanol belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
FA 8:0
Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
3-Quinolinamine
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2,8-Decadiene-4,6-diyn-1-al-(2Z,8E)-form|cis,trans-matricarianal|deca-2c,8t-diene-4,6-diynal
ampelomin B|rel-(1S,2S,3R,4S,5S)-2,3-epoxy-5-methylcyclohexane-1,4-diol
(E)-1,9-Undecadiene-5,7-diyne|Undeca-1,9t-dien-5,7-diin|undeca-1,9t-diene-5,7-diyne
4-Quinolinamine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
3-Phenylfuran
A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a phenyl group. It is a maillard reaction product identified in mushroom hydrolysates.
4-(hydroxymethyl)-3,5-dimethyl-dihydrofuran-2(3H)-one|dihydro-4-(hydroxymethyl)-3,5-dimethyl-2(3H)-furanone
4-Hydroxycyclohexylcarboxylic acid
4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols.
4-guanidinobutanamide
A butanamide having a guanidino group at the 4-position.
4-Hydroxycyclohexanecarboxylic acid
4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1]. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1].
Hydroxycyclohexane-carboxylic Acid
4-Hydroxycyclohexanecarboxylic acid belongs to the class of organic compounds known as cyclohexanols. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1]. trans-4-Hydroxycyclohexanecarboxylic acid is a substrate for cyclohexanecarboxylic acid production. trans-4-Hydroxycyclohexanecarboxylic acid is the by-product of intestinal bacterial metabolism via urinary excretion[1].
2H-Pyran-4-carboxaldehyde, tetrahydro-4-methoxy- (9CI)
2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID METHYL ESTER
(1R)-(S)-PINANEDIOL1-AMMONIUMTRIFLUOROACETATE-3-METHYLBUTANE-1-BORONATE
POLY(ETHYLENE-CO-VINYL ACETATE-CO-CARBON MONOXIDE)
CIS-METHYL 3-(HYDROXYMETHYL)CYCLOBUTANECARBOXYLATE
Cyclobutanecarboxylic acid, 3-methoxy-, methyl ester (9CI)
1-(methoxymethyl)cyclobutanecarboxylic acid(SALTDATA: FREE)
2H-Pyran-4-carboxylicacid,tetrahydro-,hydrazide(9CI)
(TERT-BUTOXYCARBONYLMETHYL)TRIPHENYLPHOSPHONIUMCHLORIDE
1H-Imidazole-4-carboxylicacid,5-fluoro-,hydrazide(9CI)
2-methylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
Cyclopropanecarboxylic acid, 2-(hydroxymethyl)-, ethyl ester, (1S-trans)- (9CI)
(2-METHYL-5-OXO-CYCLOPENTYL)-CARBAMICACIDTERT-BUTYLESTER
methyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate
(3R,4S,1R)-3-(1-hydroxyethyl)-4-methyldihydrofuran-2(3H)-one
A gamma-lactone that is dihydrofuran-2(3H)-one substituted by a hydroxyethyl group at position 3 and a methyl group at position 4 (the 3R,4S,1R stereoisomer). Isolated from an edible mushroom Mycoleptodonoides aitchisonii, it exhibits protective activity against endoplasmic reticulum (ER) stress dependent cell death.
(3R,5R)-5-amino-3-methyl-D-proline
An aminopyrrolidine that is D-proline substituted by a amino group at position 5 and a methyl group at position 3.
2-NAPHTHOL
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent A naphthol carrying a hydroxy group at position 2. 2-Naphthol is a metabolite of naphthalene, catalyzed by cytochrome P450 (CYP) isozymes (CYP 1A1, CYP 1A2, CYP 2A1, CYP 2E1 and CYP 2F2).
4-Acetamidobutanoate
A monocarboxylic acid anion that is the conjugate base of 4-acetamidobutanoic acid, arising from deprotonation of the carboxy group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
(2E)-7-hydroxyhept-2-enoic acid
An omega-hydroxy fatty acid that is trans-2-heptenoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.
(2E,6R)-6-hydroxyhept-2-enoic acid
A hydroxy fatty acid that is trans-2-heptenoic acid in which the 6-pro-R hydrogen is replaced by a hydroxy group.
(1S,2R)-Naphthalene epoxide
A naphthalene 1,2-oxide (the 1S,2R-stereoisomer).
(1R,2S)-Naphthalene epoxide
A naphthalene 1,2-oxide (the 1R,2S-stereoisomer).
4-Guanidinobutanoate
A monocarboxylic acid anion that is the conjugate base of 4-guanidinobutanoic acid.
butyrylglycinate
A monocarboxylic acid anion that is the conjugate base of butyrylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-isobutyrylglycinate
A monocarboxylic acid anion that is the conjugate base of N-isobutyrylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(1r,2s,3s,5s,6s)-3-methyl-7-oxabicyclo[4.1.0]heptane-2,5-diol
(2E,4E)-5-chloro-4-methylhepta-2,4-diene
{"Ingredient_id": "HBIN005551","Ingredient_name": "(2E,4E)-5-chloro-4-methylhepta-2,4-diene","Alias": "(2E,4E)-5-chloro-4-methyl-hepta-2,4-diene","Ingredient_formula": "C8H13Cl","Ingredient_Smile": "NA","Ingredient_weight": "144.64","OB_score": "47.95898686","CAS_id": "105949-73-3","SymMap_id": "SMIT11362","TCMID_id": "NA","TCMSP_id": "MOL010303","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(isoamylthio)prop-1-ene
{"Ingredient_id": "HBIN008760","Ingredient_name": "3-(isoamylthio)prop-1-ene","Alias": "1-(allylthio)-3-methylbutane; 3-methyl-1-prop-2-enylsulfanylbutane; 1-allylsulfanyl-3-methyl-butane; 3-methyl-1-prop-2-enylsulfanyl-butane; Allyl (3-methylbutyl) sulfide; 3-(Isopentylsulfanyl)-1-propene","Ingredient_formula": "C8H16S","Ingredient_Smile": "CC(C)CCSCC=C","Ingredient_weight": "144.28 g/mol","OB_score": "60.59823849","CAS_id": "NA","SymMap_id": "SMIT09659","TCMID_id": "NA","TCMSP_id": "MOL008352","TCM_ID_id": "NA","PubChem_id": "534495","DrugBank_id": "NA"}
