Exact Mass: 166.0801
Exact Mass Matches: 166.0801
Found 500 metabolites which its exact mass value is equals to given mass value 166.0801,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fucitol
L-fucitol is the L-enantiomer of fucitol. It is found in nutmeg. It has a role as a plant metabolite and an antibacterial agent. It is an enantiomer of a D-fucitol. L-Fucitol is a natural product found in Carum carvi with data available. The L-enantiomer of fucitol. It is found in nutmeg. L-Fucitol (1-Deoxy-D-galactitol) is a sugar alcohol isolated from Nutmeg[1]. L-Fucitol (1-Deoxy-D-galactitol) is a sugar alcohol isolated from Nutmeg[1].
Cyromazine
Ectoparasiticide. Insect growth regulator. Specific activity against dipterous larvae. Cyromazine is a fda approved for use in livestoc CONFIDENCE standard compound; INTERNAL_ID 8456 CONFIDENCE standard compound; INTERNAL_ID 3021 CONFIDENCE standard compound; INTERNAL_ID 2625 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Cyromazine, the cyclopropyl derivative of melamine, is an insect growth regulator used as an insecticide and acaricide that acts by affecting the nervous system in the larval stages of certain insects.
Fluorene
Fluorene, also known as diphenylenemethane or 9h-fluorene, is a member of the class of compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. Fluorene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Fluorene can be found in corn, which makes fluorene a potential biomarker for the consumption of this food product. Fluorene is formally rated as an unfounded non-carcinogenic (IARC 3) potentially toxic compound. Fluorene , or 9H-fluorene, is a polycyclic aromatic hydrocarbon. It forms white crystals that exhibit a characteristic, aromatic odor similar to that of naphthalene. It is combustible. It has a violet fluorescence, hence its name. For commercial purposes it is obtained from coal tar. It is insoluble in water and soluble in many organic solvents . PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system (L10) (T3DB). D009676 - Noxae > D002273 - Carcinogens
4-Hydroxyphenyl-2-propionic acid
4-Hydroxyphenyl-2-propionic acid belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. 4-Hydroxyphenyl-2-propionic acid has been detected in multiple biofluids, such as urine and blood (PMID: 20428313). Within the cell, 4-hydroxyphenyl-2-propionic acid is primarily located in the cytoplasm. A polyphenol metabolite detected in biological fluids [PhenolExplorer] KEIO_ID H099
Paeonol
A polyphenol metabolite detected in biological fluids [PhenolExplorer] Paeonol is an active extraction from the root of Paeonia suffruticosa, Paeonol inhibits MAO-A and MAO-B with IC50 of 54.6 μM and 42.5 μM, respectively. Paeonol is an active extraction from the root of Paeonia suffruticosa, Paeonol inhibits MAO-A and MAO-B with IC50 of 54.6 μM and 42.5 μM, respectively.
Homovanillin
3 -Methoxy-4-hydroxyphenylacetaldehyde is an intermediary aldehyde of dopamine metabolism, metabolized by the class I human liver alcohol dehydrogenases (ADHs) . ADH catalyzes both ethanol and acetaldehyde, and the dopamine intermediates compete for the same site of ADH, a basis for the ethanol-induced in vivo alterations of dopamine metabolism. (PMID 2432930) [HMDB] 3 -Methoxy-4-hydroxyphenylacetaldehyde is an intermediary aldehyde of dopamine metabolism, metabolized by the class I human liver alcohol dehydrogenases (ADHs). ADH catalyzes both ethanol and acetaldehyde, and the dopamine intermediates compete for the same site of ADH, a basis for the ethanol-induced in vivo alterations of dopamine metabolism. (PMID 2432930). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ethylparaben
Ethylparaben is an ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol, It has a role as an antimicrobial food preservative, an antifungal agent, a plant metabolite and a phytoestrogen. It is a paraben and an ethyl ester. Ethylparaben is a Standardized Chemical Allergen. The physiologic effect of ethylparaben is by means of Increased Histamine Release, and Cell-mediated Immunity. Ethylparaben is a natural product found in Ulva australis, Andrographis paniculata, and other organisms with data available. Ethylparaben is found in alcoholic beverages. Ethylparaben is an antimicrobial agent, preservative. Ethylparaben is present in red wine, white wine and sake. Ethylparaben belongs to the family of Hydroxybenzoic Acid Derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid. Ethyl-4-hydroxybenzoate is a metabolite found in or produced by Saccharomyces cerevisiae. Ethylparaben, also known as e-214 or aseptin a, belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. It is used as an antifungal preservative. Sodium ethyl para-hydroxybenzoate, the sodium salt of ethylparaben, has the same uses and is given the E number E215. Ethylparaben is a drug. Its formula is HO-C6H4-CO-O-CH2CH3. Ethylparaben is a mild and phenolic tasting compound. ethylparaben has been detected, but not quantified, in alcoholic beverages. This could make ethylparaben a potential biomarker for the consumption of these foods. Ethylparaben (ethyl para-hydroxybenzoate) is the ethyl ester of p-hydroxybenzoic acid. Ethylparaben is a potentially toxic compound. As a food additive, it has E number E214. An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol, D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens Ethylparaben is the ethyl ester of paraben and is used as an antifungal preservative and food additive.
4-Methoxyphenylacetic acid
4-methoxyphenylacetic acid is a monocarboxylic acid that is phenylacetic acid carrying a 4-methoxy substituent. It is used as an intermediate for pharmaceuticals and other organic synthesis. It has been found to inhibit the germination of cress and lettuce seeds. It has a role as a plant metabolite, a plant growth retardant and an Aspergillus metabolite. It is a monocarboxylic acid and a monomethoxybenzene. 4-Methoxyphenylacetic acid, also known as 4-methoxybenzeneacetate or 2-(p-anisyl)acetic acid, belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. 4-Methoxyphenylacetic acid is a 4-O-Methylated catecholamine metabolite found in normal human urine, cerebrospinal fluid and brain tissue. 4-methoxyphenylacetic acid appears as pale yellow or off white colored flakes. Severely irritates skin and eyes. May be toxic by ingestion. 4-methoxyphenylacetic acid is a monocarboxylic acid that is phenylacetic acid carrying a 4-methoxy substituent. It is used as an intermediate for pharmaceuticals and other organic synthesis. It has been found to inhibit the germination of cress and lettuce seeds. It has a role as a plant metabolite, a plant growth retardant and an Aspergillus metabolite. It is a monocarboxylic acid and a monomethoxybenzene. 4-Methoxyphenylacetic acid is a natural product found in Gloeophyllum odoratum, Berberis koreana, and other organisms with data available. A monocarboxylic acid that is phenylacetic acid carrying a 4-methoxy substituent. It is used as an intermediate for pharmaceuticals and other organic synthesis. It has been found to inhibit the germination of cress and lettuce seeds. 4-Methoxyphenylacetic acid is a 4-O-Methylated catecholamine metabolite found in normal human urine, cerebrospinal fluid and brain tissue. (PMIDs 6511847, 4645252, 12416886) [HMDB] 2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls. 2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls.
Paeonol
Paeonol is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite. Paeonol is a natural product found in Vincetoxicum paniculatum, Vincetoxicum glaucescens, and other organisms with data available. See also: Paeonia lactiflora root (part of); Paeonia X suffruticosa root (part of). A natural product found in Paeonia rockii subspeciesrockii. Paeonol is an active extraction from the root of Paeonia suffruticosa, Paeonol inhibits MAO-A and MAO-B with IC50 of 54.6 μM and 42.5 μM, respectively. Paeonol is an active extraction from the root of Paeonia suffruticosa, Paeonol inhibits MAO-A and MAO-B with IC50 of 54.6 μM and 42.5 μM, respectively.
Apocynin
Apocynin is an aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. It has a role as a non-narcotic analgesic, a non-steroidal anti-inflammatory drug, an antirheumatic drug, a peripheral nervous system drug, an EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor and a plant metabolite. It is a member of acetophenones, a methyl ketone and an aromatic ketone. Acetovanillone has been used in trials studying the treatment of Bronchial Asthma and Chronic Obstructive Pulmonary Disease. Acetovanillone is a natural product found in Iris tectorum, Apocynum cannabinum, and other organisms with data available. Acetovanillone is a metabolite found in or produced by Saccharomyces cerevisiae. An aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Apocynin is a selective NADPH-oxidase inhibitor with an IC50 of 10 μM[1][2]. Apocynin improves acute lung inflammation in Carrageenan (HY-125474)-induced pleurisy mice model[3]. Apocynin can also be used for cancer research[4]. Apocynin reverses the aging process in mesenchymal stem cells to promote osteogenesis and increases bone mass[5]. Apocynin is a selective NADPH-oxidase inhibitor with an IC50 of 10 μM[1][2]. Apocynin improves acute lung inflammation in Carrageenan (HY-125474)-induced pleurisy mice model[3]. Apocynin can also be used for cancer research[4]. Apocynin reverses the aging process in mesenchymal stem cells to promote osteogenesis and increases bone mass[5]. Apocynin is a selective NADPH-oxidase inhibitor with an IC50 of 10 μM[1][2]. Apocynin improves acute lung inflammation in Carrageenan (HY-125474)-induced pleurisy mice model[3]. Apocynin can also be used for cancer research[4]. Apocynin reverses the aging process in mesenchymal stem cells to promote osteogenesis and increases bone mass[5].
3-Methoxyphenylacetic acid
3-Methoxyphenylacetic acid, also known as m-Methoxyphenylacetic acid (m-OMePAA), a derivative of m-hydroxyphenylacetic acid (m-OHPAA) having the same chemical composition as that of the phytotoxic compound produced in culture by Rhizoctonia solani, a fungal pathogen of soybean. That phytotoxic compound reduced growth and symbiotic N2-fixation activity of Tracy soybeans in soil. The data indicate that phytotoxic compounds of R. solani are involved in nodule impairment and reduced N2-fixation in soybean (R. G. Orellana, and N. B. Mandava (1983) m-Hydroxyphenylacetic and m-Methoxyphenylacetic Acids of Rhizoctonia solani: Their Effect on Specific Root-Nodule Activity and Histopathology in Soybean. Journal of Phytopathology. Volume 107, Issue 2, pages 159167, June 1983). 3-Methoxyphenylacetic acid (m-Methoxyphenylacetic acid), a m-hydroxyphenylacetic acid (m-OHPAA) derivative, is a phytotoxin in Rhizoctonia solani. 3-Methoxyphenylacetic acid is used to develop a toxin-mediated bioassay for resistance to rhizoctonia root rot[1].
3-Phenoxypropionic acid
3-Phenoxypropionic acid is a histamine H3 (H3 receptors controls histaminergic neuron activity) receptor antagonist (PMID 16246552) [HMDB] 3-Phenoxypropionic acid is a histamine H3 (H3 receptors controls histaminergic neuron activity) receptor antagonist (PMID 16246552).
D-Phenyllactic acid
Phenyllactic acid is a product of phenylalanine catabolism. An elevated level of phenyllactic acid is found in body fluids of patients with or phenylketonuria. (+)-3-Phenyllactic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=7326-19-4 (retrieved 2024-07-04) (CAS RN: 7326-19-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (S)-2-Hydroxy-3-phenylpropanoic acid is a product of phenylalanine catabolism. An elevated level of phenyllactic acid is found in body fluids of patients with or phenylketonuria. D-?(+)?-?Phenyllactic acid is an anti-bacterial agent, excreted by Geotrichum candidum, inhibits a range of Gram-positive from humans and foodstuffs and Gram-negative bacteria found in humans[1]. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound.
3,4-Dihydroxyphenylacetone
3,4-Dihydroxyphenylacetone is found in animal foods. 3,4-Dihydroxyphenylacetone is a component of wood smokes, present in smoked meats. Metabolite of 2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone
3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is found in fruits. 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is a constituent of Carissa edulis (agam). Constituent of Carissa edulis (agam). 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is found in fruits.
(3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne
(3e,5z)-1,3,5-tridecatriene-7,9,11-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. Within the cell, (3e,5z)-1,3,5-tridecatriene-7,9,11-triyne is primarily located in the membrane (predicted from logP). (3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne is isolated from Artemisia vulgaris (mugwort).
Ethyl salicylate
Ethyl salicylate, also known as fema 2458 or mesotol, belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. Ethyl salicylate is a sweet, balsam, and floral tasting compound. Ethyl salicylate has been detected, but not quantified, in several different foods, such as evergreen blackberries, alcoholic beverages, black elderberries, garden tomato, and fruits. Ethyl salicylate is the ester formed by the condensation of salicylic acid and ethanol. It is a clear liquid that is sparingly soluble in water, but soluble in alcohol and ether. It has a pleasant odor resembling wintergreen and is used in perfumery and artificial flavors. Present in feijoa fruit, raspberry, tomato, various spirits, red wine, mountain papaya and cape gooseberry. Flavouring agent. Ethyl salicylate is found in many foods, some of which are black elderberry, garden tomato, fruits, and alcoholic beverages. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
1,3,11-Tridecatriene-5,7,9-triyne
1,3,11-Tridecatriene-5,7,9-triyne is found in burdock. 1,3,11-Tridecatriene-5,7,9-triyne is a constituent of Carthamus tinctorius (safflower) Constituent of Carthamus tinctorius (safflower). 1,3,11-Tridecatriene-5,7,9-triyne is found in burdock, fats and oils, and herbs and spices.
1-Deoxy-D-glucitol
1-Deoxy-D-glucitol is found in herbs and spices. 1-Deoxy-D-glucitol is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). 1-Deoxy-D-glucitol is found in herbs and spices.
Guaicyl acetate
Guaicyl acetate is a flavouring ingredien Flavouring ingredient
Ethyl vanillin
Ethyl vanillin is a flavouring agent with flavouring power 2-4 times greater than vanillin. Ethyl vanillin is used especially in cocoa product Flavouring agent with flavouring power 2-4 times greater than vanillin. It is used especies in cocoa products.
3-(4-Methyl-3-pentenyl)thiophene
3-(4-Methyl-3-pentenyl)thiophene is found in alcoholic beverages. 3-(4-Methyl-3-pentenyl)thiophene is a constituent of hops. Constituent of hops. 3-(4-Methyl-3-pentenyl)thiophene is found in alcoholic beverages.
3-Hydroxy-3-phenylpropanoic acid
3-Hydroxy-3-phenylpropanoic acid (CAS: 3480-87-3) belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. 3-Hydroxy-3-phenylpropanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). BioTransformer predicts that 3-hydroxy-3-phenylpropanoic acid is a product of 3-hydroxy-3-(4-hydroxyphenyl)propanoic acid metabolism via a -4p-dehydroxylation-of-substituted-benzene reaction occurring in human gut microbiota and catalyzed by a dehydroxylase enzyme (PMID: 30612223).
3,5-Dimethoxybenzaldehyde
3,5-Dimethoxybenzaldehyde is classified as a member of the dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. 3,5-Dimethoxybenzaldehyde is considered to be slightly soluble (in water) and basic
Methyl 4-methoxybenzoate
Methyl 4-methoxybenzoate is found in star anise. Methyl 4-methoxybenzoate is a flavouring ingredien Flavouring ingredient. Methyl 4-methoxybenzoate is found in star anise. Methyl anisate is an endogenous metabolite.
Methyl 2-methoxybenzoate
Methyl 2-methoxybenzoate is found in mushrooms. Methyl 2-methoxybenzoate is present in the mushroom Tramates graveolens. Methyl 2-methoxybenzoate is a flavouring ingredien Present in the mushroom Tramates graveolens. Flavouring ingredient. Methyl 2-methoxybenzoate is found in mushrooms.
Ipomeanine
Ipomeanine is found in root vegetables. Ipomeanine is produced by Ceratostomella fimbriata; toxic substance in mouldy sweet potatoe Produced by Ceratostomella fimbriata; toxic substance in mouldy sweet potatoes. Ipomeanine is found in root vegetables.
Phenyllactic acid
Phenyllactic acid a product of phenylalanine catabolism, appearing prominently in the urine in individuals with phenylketonuria. Levels of several phenylalanine metabolites, including phenylacetate (PAA), phenyllactate (PLA), and phenylpyruvate (PPA)) are elevated in Phenylketonuria (PKU) (OMIM 261600). Phenyllactic acid is likely produced from phenylpyruvate via the action of lactate dehydrogenase. The D-form of this organic acid is typically derived from bacterial sources while the L-form is almost certainly endogenous. Levels of phenyllactate are normally very low in blood or urine. High levels of PLA in the urine or blood are often indicative of phenylketonuria (PKU) and hyperphenylalaninemia (HPA). PKU is due to lack of the enzyme phenylalanine hydroxylase (PAH), so that phenylalanine is converted not to tyrosine but to phenylpyruvic acid (a precursor of phenylactate). In particular, excessive phenylalanine is typically metabolized into phenylketones through, a transaminase pathway route involving glutamate. Metabolites of this transamination reaction include phenylacetate, phenylpyruvate and phenethylamine. In persons with PKU, dietary phenylalanine either accumulates in the body or some of it is converted to phenylpyruvic acid and then to phenyllactate through the action of lactate dehydrogenase. Individuals with PKU tend to excrete large quantities of phenylpyruvate, phenylacetate and phenyllactate, along with phenylalanine, in their urine. If untreated, mental retardation effects and microcephaly are evident by the first year along with other symptoms which include: unusual irritability, epileptic seizures and skin lesions. Hyperactivity, EEG abnormalities and seizures, and severe learning disabilities are major clinical problems later in life. A "musty or mousy" odor of skin, hair, sweat and urine (due to phenylacetate accumulation); and a tendency to hypopigmentation and eczema are also observed. The neural-development effects of PKU are primarily due to the disruption of neurotransmitter synthesis. In particular, phenylalanine is a large, neutral amino acid which moves across the blood-brain barrier (BBB) via the large neutral amino acid transporter (LNAAT). Excessive phenylalanine in the blood saturates the transporter. Thus, excessive levels of phenylalanine significantly decrease the levels of other LNAAs in the brain. But since these amino acids are required for protein and neurotransmitter synthesis, phenylalanine accumulation disrupts brain development, leading to mental retardation. (PMID: 10790306; OMIM: 261600). Phenyllactic acid can be found in Acinetobacter, Bacteroides, Bifidobacterium, Clostridium, Enterococcus, Escherichia, Eubacterium, Klebsiella, Lactobacillus, Pseudomonas and Staphylococcus (PMID: 19961416). Phenyllactic acid a product of phenylalanine catabolism, appearing prominently in the urine in individuals with phenylketonuria. Levels of several phenylalanine metabolites, including phenylacetate (PAA), phenyllactate (PLA), and phenylpyruvate (PPA)) are elevated in Phenylketonuria (PKU) (OMIM 261600). Phenyllactic acid is likely produced from phenylpyruvate via the action of lactate dehydrogenase. The D-form of this organic acid is typically derived from bacterial sources while the L-form is almost certainly endogenous. Levels of phenyllactate are normally very low in blood or urine. High levels of PLA in the urine or blood are often indicative of phenylketonuria (PKU) and hyperphenylalaninemia (HPA). PKU is due to lack of the enzyme phenylalanine hydroxylase (PAH), so that phenylalanine is converted not to tyrosine but to phenylpyruvic acid (a precursor of phenylactate). In particular, excessive phenylalanine is typically metabolized into phenylketones through, a transaminase pathway route involving glutamate. Metabolites of this transamination reaction include phenylacetate, phenylpyruvate and phenethylamine. In persons with PKU, dietary phenylalanine either accumulates in the body or some of it is converted to phenylpyruvic acid and then to phenyllactate through the action of lactate dehydrogenase. Individuals with PKU tend to excrete large quantities of phenylpyruvate, phenylacetate and phenyllactate, along with phenylalanine, in their urine. If untreated, mental retardation effects and microcephaly are evident by the first year along with other symptoms which include: unusual irritability, epileptic seizures and skin lesions. Hyperactivity, EEG abnormalities and seizures, and severe learning disabilities are major clinical problems later in life. A "musty or mousy" odor of skin, hair, sweat and urine (due to phenylacetate accumulation); and a tendency to hypopigmentation and eczema are also observed. The neural-development effects of PKU are primarily due to the disruption of neurotransmitter synthesis. In particular, phenylalanine is a large, neutral amino acid which moves across the blood-brain barrier (BBB) via the large neutral amino acid transporter (LNAAT). Excessive phenylalanine in the blood saturates the transporter. Thus, excessive levels of phenylalanine significantly decrease the levels of other LNAAs in the brain. But since these amino acids are required for protein and neurotransmitter synthesis, phenylalanine accumulation disrupts brain development, leading to mental retardation. PMID: 10790306; OMIM: 261600 [HMDB] DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound.
4-Methoxybenzyl formate
4-Methoxybenzyl formate is used extensively in food flavourin It is used extensively in food flavouring
Ethyl 2-furanacrylate
Ethyl 2-furanacrylate is a flavouring ingredient [CCD]. Flavouring ingredient [CCD]
1,2,3,6-Tetrahydromethylphthalic anhydride
Methoxyphenylacetic acid
Methoxyphenylacetic acid is a member of the class of compounds known as benzylethers. Benzylethers are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Methoxyphenylacetic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Methoxyphenylacetic acid can be found in olive, which makes methoxyphenylacetic acid a potential biomarker for the consumption of this food product. 2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls. 2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls.
(Z,Z)-1,3,11-Tridecatriene-5,7,9-triyne
(z,z)-1,3,11-tridecatriene-5,7,9-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group (z,z)-1,3,11-tridecatriene-5,7,9-triyne can be found in safflower, which makes (z,z)-1,3,11-tridecatriene-5,7,9-triyne a potential biomarker for the consumption of this food product.
3E,11E-Trideca-1,3,11-triene-5,7,9-triyne
3e,11e-trideca-1,3,11-triene-5,7,9-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3e,11e-trideca-1,3,11-triene-5,7,9-triyne can be found in safflower, which makes 3e,11e-trideca-1,3,11-triene-5,7,9-triyne a potential biomarker for the consumption of this food product.
3Z,11E-Trideca-1,3,11-triene-5,7,9-triyne
3z,11e-trideca-1,3,11-triene-5,7,9-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3z,11e-trideca-1,3,11-triene-5,7,9-triyne can be found in safflower, which makes 3z,11e-trideca-1,3,11-triene-5,7,9-triyne a potential biomarker for the consumption of this food product.
Sodium octanoate
It is used in foods as a binder, emulsifier and anticaking agent.
D-3-phenyllactic acid
D-?(+)?-?Phenyllactic acid is an anti-bacterial agent, excreted by Geotrichum candidum, inhibits a range of Gram-positive from humans and foodstuffs and Gram-negative bacteria found in humans[1]. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound.
isoacetovanillone
Isoacetovanillone is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite. 1-(3-Hydroxy-4-methoxyphenyl)ethanone is a natural product found in Lamprothamnus zanguebaricus, Saussurea superba, and Rhododendron ferrugineum with data available. A natural product found in Rhododendron ferrugineum. 3-Hydroxy-4-methoxyacetophenone(Acetoisovanillone; Isoacetovanillone) is an active compound isolated from P. spinosa. Isoacetovanillone possesses anti-inflammatory activity and prevented injuries due to administration of acetic acid in the colon[1]. 3-Hydroxy-4-methoxyacetophenone(Acetoisovanillone; Isoacetovanillone) is an active compound isolated from P. spinosa. Isoacetovanillone possesses anti-inflammatory activity and prevented injuries due to administration of acetic acid in the colon[1].
2,3-Dimethoxybenzaldehyde
2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) is a benzaldehyde analog, with high antifungal activity (MIC=2.5 mM) 2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) could be used for the synthesis of berberine[1].
Methyl 4-hydroxyphenylacetate
Methyl 4-hydroxyphenylacetate, a natural compound, is a methyl ester resulting from the formal condensation of the carboxy group of 4-Hydroxyphenylacetic acid with methanol[1]. Methyl 4-hydroxyphenylacetate, a natural compound, is a methyl ester resulting from the formal condensation of the carboxy group of 4-Hydroxyphenylacetic acid with methanol[1].
Phenyllactic acid
(S)-2-Hydroxy-3-phenylpropanoic acid is a product of phenylalanine catabolism. An elevated level of phenyllactic acid is found in body fluids of patients with or phenylketonuria. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound.
Methyl mandelate
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
(S)-clavulazine|clavulazine|dihydropyrano[3,4-b]pyrazine
(2S,3S)-non-4t-ene-6,8-diyne-1,2,3-triol|2D,3L-trans-Non-4-en-6,8-diin-1,2,3-triol
3-hydroxy-4-methoxyacetophenone
3-Hydroxy-4-methoxyacetophenone(Acetoisovanillone; Isoacetovanillone) is an active compound isolated from P. spinosa. Isoacetovanillone possesses anti-inflammatory activity and prevented injuries due to administration of acetic acid in the colon[1]. 3-Hydroxy-4-methoxyacetophenone(Acetoisovanillone; Isoacetovanillone) is an active compound isolated from P. spinosa. Isoacetovanillone possesses anti-inflammatory activity and prevented injuries due to administration of acetic acid in the colon[1].
Chromen-2-on; Verbindung mit Hydro-o-cumarsaeure|chromen-2-one; compound with hydro-o-coumaric acid
3-Methoxy-2,5-dimethylcyclohexa-2,5-diene-1,4-dione
(E)-2-Butyliden-3-methylen-bernsteinsaeureanhydrid|waquafranone B
2,3-Dimethoxybenzaldehyde
2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) is a benzaldehyde analog, with high antifungal activity (MIC=2.5 mM) 2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) could be used for the synthesis of berberine[1].
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
4,5,6,7-Tetrahydro-2H-pyrrolo[3,4-c]pyridine-6-carboxylic acid
CYROMAZINE
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 3021 Cyromazine, the cyclopropyl derivative of melamine, is an insect growth regulator used as an insecticide and acaricide that acts by affecting the nervous system in the larval stages of certain insects.
1H-Imidazole-4-carboxylicacid,1-ethenyl-,ethylester(9CI)
2-Deoxy-2-fluoro-L-fucose
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C274 - Antineoplastic Agent
8-Fluoro-2,3,4,5-tetrahydro-1hbenzo[e][1,4]diazepine
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
1,2,4-Triazolo[4,3-a][1,3,5]triazine-3,5,7-triamine
1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
7-Fluoro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
4,5,6,7-TETRAHYDRO-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLIC ACID
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
1-Methyl-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carboxylic acid
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
5-Cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid
1-Ethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
5-Cyclopropyl-2-methyl-2H-pyrazole-3-carboxylic acid
5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)
1,4-DIMETHYL-1,2,3,4,5,6-HEXAHYDROCYCLOBUTA[B]PYRAZINE-5,6-DIONE
5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl- (9CI)
Phenyl Dimethyl Methoxysilane
D001697 - Biomedical and Dental Materials
5-methyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
Boronic acid, [5-(hydroxymethyl)-2-methylphenyl]- (9CI)
5,6,7,8-Tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
(+)-1,4-DI-O-TOSYL-2,3-O-ISOPROPYLIDENE-D-THREITOL
(2E)-3-(1-ethyl-1H-pyrazol-4-yl)acrylic acid(SALTDATA: FREE)
(2E)-3-(1,3-dimethyl-1H-pyrazol-4-yl)acrylic acid(SALTDATA: FREE)
1-Chloro-3-methoxy-2-(methoxymethyl)-2-methylpropane
Valproate sodium
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
L-phenylalaninium
An optically active form of phenylalaninium having L-configuration.
Phenylalaninium
An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group.
D-phenylalaninium
An optically active form of phenylalaninium having D-configuration.
4-amino-5-formamidomethyl-2-methylpyrimidine
A member of the class of aminopyrimidine with the amino group at position 4 with additional methyl and formamidomethyl substituents at positions 2 and 5 respectively.
norsalsolinol(1+)
A secondary ammonium ion that is the conjugate acid of norsalsolinol arising from the protonation of the amino group; major species at pH 7.3.
AA26-9
AA26-9 is a potent and broad spectrum serine hydrolase inhibitor. AA26-9 targets included serine peptidases, lipases, amidases, esterases, and thioesterases. AA26-9 shows inhibitory activity against approximately 1/3 of the 40+ serine hydrolases detected in immortalized T cell lines [1][2].
N-Acetylputrescine hydrochloride
N-Acetylputrescine hydrochloride is a putrescine derivative.
1-(2-hydrazino-4-methyl-5-pyrimidinyl)ethanone
{"Ingredient_id": "HBIN000864","Ingredient_name": "1-(2-hydrazino-4-methyl-5-pyrimidinyl)ethanone","Alias": "1-(2-hydrazino-4-methyl-pyrimidin-5-yl)ethanone; 1-(2-hydrazinyl-4-methylpyrimidin-5-yl)ethanone; 1-(2-hydrazinyl-4-methyl-pyrimidin-5-yl)ethanone; 93584-03-3; NSC373985","Ingredient_formula": "C7H10N4O","Ingredient_Smile": "CC1=NC(=NC=C1C(=O)C)NN","Ingredient_weight": "166.18 g/mol","OB_score": "38.52920074","CAS_id": "93584-03-3","SymMap_id": "SMIT10738","TCMID_id": "NA","TCMSP_id": "MOL009638","TCM_ID_id": "NA","PubChem_id": "341594","DrugBank_id": "NA"}
1-deoxy-d-glucitol
{"Ingredient_id": "HBIN002477","Ingredient_name": "1-deoxy-d-glucitol","Alias": "NA","Ingredient_formula": "C6H14O5","Ingredient_Smile": "CC(C(C(C(CO)O)O)O)O","Ingredient_weight": "166.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5176","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10678630","DrugBank_id": "NA"}
