Exact Mass: 152.0473
Exact Mass Matches: 152.0473
Found 208 metabolites which its exact mass value is equals to given mass value 152.0473,
within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error
4.0E-5 dalton.
Vanillin
Vanillin, also known as vanillaldehyde or lioxin, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. It is used by the food industry as well as ethylvanillin. Vanillin exists in all living species, ranging from bacteria to humans. Vanillin is a sweet, chocolate, and creamy tasting compound. Vanillin is found, on average, in the highest concentration within a few different foods, such as corns, ryes, and sherries and in a lower concentration in beers, rums, and oats. Vanillin has also been detected, but not quantified, in several different foods, such as gooseberries, other bread, brazil nuts, shea tree, and ohelo berries. This could make vanillin a potential biomarker for the consumption of these foods. Vanillin is a potentially toxic compound. Synthetic vanillin, instead of natural Vanillin extract, is sometimes used as a flavouring agent in foods, beverages, and pharmaceuticals. Vanillin is the primary component of the extract of the Vanillin bean. Because of the scarcity and expense of natural Vanillin extract, there has long been interest in the synthetic preparation of its predominant component. Artificial Vanillin flavoring is a solution of pure vanillin, usually of synthetic origin. Today, artificial vanillin is made from either guaiacol or from lignin, a constituent of wood which is a byproduct of the paper industry. The first commercial synthesis of vanillin began with the more readily available natural compound eugenol. Vanillin appears as white or very slightly yellow needles. Vanillin is a member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. It has a role as a plant metabolite, an anti-inflammatory agent, a flavouring agent, an antioxidant and an anticonvulsant. It is a member of phenols, a monomethoxybenzene and a member of benzaldehydes. Vanillin is a natural product found in Ficus erecta var. beecheyana, Pandanus utilis, and other organisms with data available. Vanillin is the primary component of the extract of the vanilla bean. Synthetic vanillin, instead of natural vanilla extract, is sometimes used as a flavouring agent in foods, beverages, and pharmaceuticals. It is used by the food industry as well as ethylvanillin.Artificial vanilla flavoring is a solution of pure vanillin, usually of synthetic origin. Because of the scarcity and expense of natural vanilla extract, there has long been interest in the synthetic preparation of its predominant component. The first commercial synthesis of vanillin began with the more readily available natural compound eugenol. Today, artificial vanillin is made from either guaiacol or from lignin, a constituent of wood which is a byproduct of the paper industry. (Wiki). Vanillin is a metabolite found in or produced by Saccharomyces cerevisiae. Constituent of vanilla (Vanilla subspecies) and many other plants, e.g. Peru balsam, clove bud oil. Widely used flavouring agent especies in cocoa products. obtained from spent wood-pulp liquors. Vanillin is found in many foods, some of which are pomes, elderberry, common cabbage, and dock. A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; ML_ID 59 Vanillin (p-Vanillin) is a single molecule extracted from vanilla beans and also a popular odor used widely in perfume, food and medicine. Vanillin (p-Vanillin) is a single molecule extracted from vanilla beans and also a popular odor used widely in perfume, food and medicine.
(R)-mandelic Acid
(R)-mandelic acid is the (R)-enantiomer of mandelic acid. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a (R)-mandelate. It is an enantiomer of a (S)-mandelic acid. (r)-Mandelic acid is a natural product found in Pisolithus tinctorius, Pisolithus arhizus, and other organisms with data available. (R)-mandelic Acid, also known as (R)-2-Hydroxy-2-phenylacetic acid or (-)-(R)-Mandelate, is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. (R)-mandelic Acid is considered to be soluble (in water) and acidic The (R)-enantiomer of mandelic acid. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID M068 D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. D-(-)-Mandelic acid is a natural compound isolated from bitter almonds.
p-Anisic acid
p-Anisic acid, also known as 4-anisate or draconic acid, belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. p-Anisic acid is a drug. p-Anisic acid exists in all eukaryotes, ranging from yeast to humans. p-Anisic acid is a faint, sweet, and cadaverous tasting compound. Outside of the human body, p-anisic acid has been detected, but not quantified in several different foods, such as anises, cocoa beans, fennels, and german camomiles. This could make p-anisic acid a potential biomarker for the consumption of these foods. It is a white crystalline solid which is insoluble in water, highly soluble in alcohols and soluble in ether, and ethyl acetate. p-Anisic acid has antiseptic properties. It is also used as an intermediate in the preparation of more complex organic compounds. It is generally obtained by the oxidation of anethole or p-methoxyacetophenone. The term "anisic acid" often refers to this form specifically. p-Anisic acid is found naturally in anise. 4-methoxybenzoic acid is a methoxybenzoic acid substituted with a methoxy group at position C-4. It has a role as a plant metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 4-methoxybenzoate. 4-Methoxybenzoic acid is a natural product found in Chaenomeles speciosa, Annona purpurea, and other organisms with data available. Anisic acid is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Stevia rebaudiuna Leaf (part of). Flavouring agent. Food additive listed in the EAFUS Food Additive Database (Jan. 2001) A methoxybenzoic acid substituted with a methoxy group at position C-4. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS KEIO_ID A154 p-Anisic acid (4-Methoxybenzoic acid) is one of the isomers of anisic acid, with anti-bacterial and antiseptic properties[1]. p-Anisic acid (4-Methoxybenzoic acid) is one of the isomers of anisic acid, with anti-bacterial and antiseptic properties[1].
4-hydroxyphenylacetate
p-Hydroxyphenylacetic acid, also known as 4-hydroxybenzeneacetate, is classified as a member of the 1-hydroxy-2-unsubstituted benzenoids. 1-Hydroxy-2-unsubstituted benzenoids are phenols that are unsubstituted at the 2-position. p-Hydroxyphenylacetic acid is considered to be slightly soluble (in water) and acidic. p-Hydroxyphenylacetic acid can be synthesized from acetic acid. It is also a parent compound for other transformation products, including but not limited to, methyl 2-(4-hydroxyphenyl)acetate, ixerochinolide, and lactucopicrin 15-oxalate. p-Hydroxyphenylacetic acid can be found in numerous foods such as olives, cocoa beans, oats, and mushrooms. p-Hydroxyphenylacetic acid can be found throughout all human tissues and in all biofluids. Within a cell, p-hydroxyphenylacetic acid is primarily located in the cytoplasm and in the extracellular space. p-Hydroxyphenylacetic acid is also a microbial metabolite produced by Acinetobacter, Clostridium, Klebsiella, Pseudomonas, and Proteus. Higher levels of this metabolite are associated with an overgrowth of small intestinal bacteria from Clostridia species including C. difficile, C. stricklandii, C. lituseburense, C. subterminale, C. putrefaciens, and C. propionicum (PMID: 476929, 12173102). p-Hydroxyphenylacetic acid is detected after the consumption of whole grain. 4-hydroxyphenylacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a plant metabolite, a fungal metabolite, a human metabolite and a mouse metabolite. It is a monocarboxylic acid and a member of phenols. It is functionally related to an acetic acid. It is a conjugate acid of a 4-hydroxyphenylacetate. 4-Hydroxyphenylacetic acid is a natural product found in Guanomyces polythrix, Forsythia suspensa, and other organisms with data available. 4-Hydroxyphenylacetic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. Constituent of sweet clover (Melilotus officinalis) and yeast Hydroxyphenylacetic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=156-38-7 (retrieved 2024-07-02) (CAS RN: 156-38-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 4-hydroxyphenylacetic acid, a major microbiota-derived metabolite of polyphenols, is involved in the antioxidative action. 4-hydroxyphenylacetic acid induces expression of Nrf2[1]. 4-hydroxyphenylacetic acid, a major microbiota-derived metabolite of polyphenols, is involved in the antioxidative action. 4-hydroxyphenylacetic acid induces expression of Nrf2[1].
2-hydroxyphenylacetate
ortho-Hydroxyphenylacetic acid, also known as (o-hydroxyphenyl)acetate or 2-hydroxybenzeneacetic acid, is a member of the class of compounds known as 2(hydroxyphenyl)acetic acids. 2(Hydroxyphenyl)acetic acids are phenylacetic acids that carry a hydroxyl group at the 2-position. ortho-Hydroxyphenylacetic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). ortho-Hydroxyphenylacetic acid can be found in a number of food items such as natal plum, lemon verbena, half-highbush blueberry, and parsley, which makes ortho-hydroxyphenylacetic acid a potential biomarker for the consumption of these food products. ortho-Hydroxyphenylacetic acid can be found primarily in blood, feces, and urine. Moreover, ortho-hydroxyphenylacetic acid is found to be associated with phenylketonuria, which is an inborn error of metabolism. ortho-Hydroxyphenylacetic acid is a substrate of the enzyme oxidoreductases (EC 1.14.13.-) in the pathway styrene degradation (KEGG). ortho-Hydroxyphenylacetic acid is also a microbial metabolite. ortho-Hydroxyphenylacetic acid is a substrate of the enzyme oxidoreductases [EC 1.14.13.-] in the pathway styrene degradation. (KEGG) [HMDB]. 2-Hydroxyphenylacetic acid is found in many foods, some of which are rambutan, common oregano, burbot, and wild leek. Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 155 INTERNAL_ID 155; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 46 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2-Hydroxyphenylacetic acid is a potential biomarker for the food products, and found to be associated with phenylketonuria (PKU). 2-Hydroxyphenylacetic acid is a potential biomarker for the food products, and found to be associated with phenylketonuria (PKU).
4-Hydroxy-3-methylbenzoic acid
4-Hydroxy-3-methylbenzoic acid, also known as 4,3-cresotic acid or 4-hydroxy-m-toluic acid, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and hydroxyl groups. 4-Hydroxy-3-methylbenzoic acid is a normal organic acid identified in urine specimens from a healthy population. (PMID 8087979) [HMDB] 4-Hydroxy-3-methylbenzoic acid is a normal organic acid identified in urine specimens from a healthy population.
3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid is a rutin metabolite and an antioxidant. It has a protective biological activity in human. It is a substrate of enzyme 4-hydroxyphenylacetate 3-monooxygenase [EC 1.14.13.3] in the pathway tyrosine metabolism (KEGG, PMID 155437). 3-Hydroxyphenylacetic acid is found to be associated with phenylketonuria, which is an inborn error of metabolism. It is also a marker of gut Clostridium species. Higher levels are associated with higher levels of Clostridia (PMID: 27123458). 3-Hydroxyphenylacetic acid can also be found in Klebsiella (PMID: 1851804). 3-Hydroxyphenylacetic acid is a rutin metabolite and an antioxidant. It has a protective biological activity in human. It is a substrate of enzyme 4-hydroxyphenylacetate 3-monooxygenase [EC 1.14.13.3] in the pathway tyrosine metabolism. (KEGG, PMID 155437) [HMDB] CONFIDENCE standard compound; INTERNAL_ID 156 CONFIDENCE standard compound; INTERNAL_ID 45 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 3-Hydroxyphenylacetic acid is an endogenous metabolite.
RESORCINOL MONOACETATE
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent Same as: D02393
Methyl 2-hydroxybenzoate
Methyl salicylate appears as colorless yellowish or reddish liquid with odor of wintergreen. (USCG, 1999) Methyl salicylate is a benzoate ester that is the methyl ester of salicylic acid. It has a role as a flavouring agent, a metabolite and an insect attractant. It is a benzoate ester, a member of salicylates and a methyl ester. It is functionally related to a salicylic acid. Methyl salicylate (oil of wintergreen or wintergreen oil) is an organic ester naturally produced by many species of plants, particularly wintergreens. The compound was first extracted and isolated from plant species Gaultheria procumbens in 1843. It can be manufactured synthetically and it used as a fragrance, in foods, beverages, and liniments. It forms a colorless to yellow or reddish liquid and exhibits a characteristic odor and taste of wintergreen. For acute joint and muscular pain, methyl salicylate is used as a rubefacient and analgesic in deep heating liniments. It is used as a flavoring agent in chewing gums and mints in small concentrations and added as antiseptic in mouthwash solutions. Methyl Salicylate is a natural product found in Nepeta nepetella, Eupatorium cannabinum, and other organisms with data available. Methyl 2-hydroxybenzoate is found in beverages. Methyl 2-hydroxybenzoate is present in white wine, tea, porcini mushroom Boletus edulis, Bourbon vanilla, clary sage, red sage and fruits including cherry, apple, raspberry, papaya and plum. Methyl 2-hydroxybenzoate is found in leaves of Gaultheria procumbens (wintergreen). Methyl 2-hydroxybenzoate is a flavouring agent. Methyl 2-hydroxy benzoate is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Salicylic Acid (has active moiety); Clove Oil (part of); LIDOCAINE; MENTHOL; Methyl Salicylate (component of) ... View More ... Methyl 2-hydroxybenzoate, also known as methyl salicylate, 2-(methoxycarbonyl)phenol or 2-carbomethoxyphenol, 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. Methyl 2-hydroxybenzoate is a mint, peppermint, and wintergreen tasting compound. Methyl 2-hydroxybenzoate is found, on average, in the highest concentration within hyssops and bilberries. Methyl 2-hydroxybenzoate has also been detected, but not quantified, in several different foods, such as chinese cinnamons, tamarinds, tea, mushrooms, and roselles. Minor metabolism may occur in various tissues but hepatic metabolism constitutes the majority of metabolic processes of absorbed methyl salicylate. Methyl 2-hydroxybenzoate is a potentially toxic compound. Present in white wine, tea, porcini mushroom Boletus edulis, Bourbon vanilla, clary sage, red sage and fruits including cherry, apple, raspberry, papaya and plum. For acute joint and muscular pain, Methyl 2-hydroxybenzoate is used as a rubefacient and analgesic in deep heating liniments. This is thought to mask the underlying musculoskeletal pain and discomfort. Severe toxicity can result in acute lung injury, lethargy, coma, seizures, cerebral edema, and death. Counter-irritation is believed to cause a soothing sensation of warmth. Methyl salicylate plays a role as a signaling molecule in plants. Present in white wine, tea, porcini mushroom Boletus edulis, Bourbon vanilla, clary sage, red sage and fruits including cherry, apple, raspberry, papaya and plum. Found in leaves of Gaultheria procumbens (wintergreen). Flavouring agent. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic A benzoate ester that is the methyl ester of salicylic acid. D018501 - Antirheumatic Agents D005404 - Fixatives Same as: D01087 Acquisition and generation of the data is financially supported in part by CREST/JST. Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4]. Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4].
Phenoxyacetic acid
Phenoxyacetic acid is found in cocoa and cocoa products. Phenoxyacetic acid is a flavouring ingredient. Phenoxyacetic acid is present in cocoa bean Phenoxyacetic acid is a flavouring ingredient. It is found in cocoa and cocoa products. COVID info from PDB, Protein Data Bank KEIO_ID P129 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Phenoxyacetic acid is an endogenous metabolite.
2',4'-Dihydroxyacetophenone
Potential component of FEMA 3662. 2,4-Dihydroxyacetophenone is a flavouring ingredien Potential component of FEMA 3662. Flavouring ingredient 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite. 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite.
6-Methylsalicylic acid
A monohydroxybenzoic acid that is salicylic acid in which the hydrogen ortho to the carboxylic acid group is substituted by a methyl group. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3,4-Dihydroxyphenylacetaldehyde
3,4-Dihydroxyphenylacetaldehyde (DOPAL) is a metabolite of the monoamine oxidase-catalyzed oxidative deamination of dopamine. Aldehydes are highly reactive molecules formed during the biotransformation of numerous endogenous and exogenous compounds, including biogenic amines. DOPAL generates a free radical and activates mitochondrial permeability transition, a mechanism implicated in neuron death. There is an increasing body of evidence suggesting that these compounds are neurotoxic, and it has been recently hypothesized that neurodegenerative disorders may be associated with increased levels of this biogenic aldehyde. It is possible to speculate that reduced detoxification of 3,4- dihydroxymandelaldehyde from impaired or deficient aldehyde dehydrogenase function may be a contributing factor in the suggested neurotoxicity of these compounds. Aldehyde dehydrogenases are a group of NAD(P)+ -dependent enzymes that catalyze the oxidation of aldehydes, such as those derived from catecholamines, to their corresponding carboxylic acids. To date, 19 aldehyde dehydrogenase genes have been identified in the human genome. Mutations in these genes and subsequent inborn errors in aldehyde metabolism are the molecular basis of several diseases. Several pharmaceutical agents and environmental toxins (i.e.: 4-hydroxy-2-nonenal) are also known to disrupt or inhibit aldehyde dehydrogenase function. (PMID: 17379813, 14697885, 11164826, 16956664 [HMDB]. 3,4-Dihydroxyphenylacetaldehyde is found in many foods, some of which are asian pear, pak choy, papaya, and abiyuch. 3,4-Dihydroxyphenylacetaldehyde (DOPAL) is a metabolite of the monoamine oxidase-catalyzed oxidative deamination of dopamine. Aldehydes are highly reactive molecules formed during the biotransformation of numerous endogenous and exogenous compounds, including biogenic amines. DOPAL generates a free radical and activates mitochondrial permeability transition, a mechanism implicated in neuron death. There is an increasing body of evidence suggesting that these compounds are neurotoxic, and it has been recently hypothesized that neurodegenerative disorders may be associated with increased levels of this biogenic aldehyde. It is possible to speculate that reduced detoxification of 3,4- dihydroxymandelaldehyde from impaired or deficient aldehyde dehydrogenase function may be a contributing factor in the suggested neurotoxicity of these compounds. Aldehyde dehydrogenases are a group of NAD(P)+ -dependent enzymes that catalyze the oxidation of aldehydes, such as those derived from catecholamines, to their corresponding carboxylic acids. To date, 19 aldehyde dehydrogenase genes have been identified in the human genome. Mutations in these genes and subsequent inborn errors in aldehyde metabolism are the molecular basis of several diseases. Several pharmaceutical agents and environmental toxins (i.e.: 4-hydroxy-2-nonenal) are also known to disrupt or inhibit aldehyde dehydrogenase function. (PMID: 17379813, 14697885, 11164826, 16956664. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3',4'-Dihydroxyacetophenone
3,4-Dihydroxyacetophenone is found in coffee and coffee products. 3,4-Dihydroxyacetophenone is extracted from coffee residues. Potential component of FEMA 3662. 3,4-Dihydroxyacetophenone is a mixture of dihydroxyacetophenone isomers is used in food flavourin D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents 3',4'-Dihydroxyacetophenone (3,4-DHAP), isolated from Picea Schrenkiana Needles exhibits a strong suppressive action against tyrosinase activity, with an IC50 of 10 μM. 3',4'-Dihydroxyacetophenone (3,4-DHAP) is a vasoactive agent and antioxidant[1][2]. 3',4'-Dihydroxyacetophenone (3,4-DHAP), isolated from Picea Schrenkiana Needles exhibits a strong suppressive action against tyrosinase activity, with an IC50 of 10 μM. 3',4'-Dihydroxyacetophenone (3,4-DHAP) is a vasoactive agent and antioxidant[1][2].
2-(Hydroxymethyl)benzoic acid
2-(Hydroxymethyl)benzoic acid is found in green vegetables. 2-(Hydroxymethyl)benzoic acid is isolated from watercres
2,4'-Dihydroxyacetophenone
Potential component of FEMA 3662. 2,4-Dihydroxyacetophenone is a flavouring ingredien Potential component of FEMA 3662. Flavouring ingredient
m-Cresotic acid
A monohydroxybenzoic acid consisting of salicylic acid having a methyl group at the 4-position.
Mandelic acid
It is an isomer of cresotinic acid (2-hydroxy-3-methylbenzoic acid) and oxymethylbenzoic acid (2-methoxybenzoic acid). Derivatives of mandelic acid are formed as a result of metabolism of adrenaline and noradrenaline by monoamine oxidase and catechol-o-methyl transferase. It is also present in certain skin care products, is an intermediate molecule in the production of other biochemicals, may be used as an analytical reagent and is a precursor in the manufacture of dyes. Mandelic acid is an aromatic alpha hydroxy acid with the molecular formula C8H8O3. It is a white crystalline solid that is soluble in water and most common organic solvents. Mandelic acid is found to be associated with phenylketonuria, which is an inborn error of metabolism. It is an isomer of cresotinic acid (2-hydroxy-3-methylbenzoic acid) and oxymethylbenzoic acid (2-methoxybenzoic acid). Derivatives of mandelic acid are formed as a result of metabolism of adrenaline and noradrenaline by monoamine oxidase and catechol-o-methyl transferase. It is also present in certain skin care products, is an intermediate molecule in the production of other biochemicals, may be used as an analytical reagent and is a precursor in the manufacture of dyes. B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids Acquisition and generation of the data is financially supported in part by CREST/JST. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent KEIO_ID M057 Mandelic acid ((±)-Mandelic acid), an alpha-hydroxycarboxylic acid, has been widely used as an intermediate of pharmaceutical and fine chemicals. Mandelic acid shows antimicrobial activity and has been used for the research of urinary tract infections and vaginal trichomoniasis. Mandelic acid exhibits high sperm-immobilizing activity and low vaginal irritation[1][2].
3-Cresotinic acid
3-Cresotinic acid is a salicylic acid derivative compound with marked fibrinolytic activity in human plasma by activating its fibrinolytic system. (PMID 6040385) [HMDB] 3-Cresotinic acid is a salicylic acid derivative compound with marked fibrinolytic activity in human plasma by activating its fibrinolytic system. (PMID 6040385). D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
4-Hydroxyphenyl acetate
This compound belongs to the family of Phenol Esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Docosahexaenoic acid
Methylparaben is a 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. It has a role as a plant metabolite, an antimicrobial food preservative, a neuroprotective agent and an antifungal agent. Methylparaben is used in allergenic testing. Methylparaben is a Standardized Chemical Allergen. The physiologic effect of methylparaben is by means of Increased Histamine Release, and Cell-mediated Immunity. Methylparaben is a natural product found in Zanthoxylum beecheyanum, Rhizophora apiculata, and other organisms with data available. Methylparaben is found in alcoholic beverages. Methylparaben is an antimicrobial agent, preservative, flavouring agent. Methylparaben is a constituent of cloudberry, yellow passion fruit, white wine, botrytised wine and Bourbon vanilla. Methylparaben has been shown to exhibit anti-microbial function Methylparaben 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. (A3204). See also: Butylparaben; ethylparaben; methylparaben (component of) ... View More ... Methylparaben, also known as methyl 4-hydroxybenzoate or p-carbomethoxyphenol, 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. Methylparaben is an antimicrobial agent, preservative, and flavouring agent. methylparaben has been detected, but not quantified, in a few different foods, such as alcoholic beverages, saffrons, and fruits (particularly blueberries). It is also a constituent of cloudberry, yellow passion fruit, white wine, botrytized wine, and Bourbon vanilla. Methylparaben is the most frequently used antimicrobial preservative in cosmetics. A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. Antimicrobial agent, preservative, flavouring agent. Constituent of cloudberry, yellow passion fruit, white wine, botrytised wine and Bourbon vanilla. Methylparaben is found in saffron, alcoholic beverages, and fruits. D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, agents and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[1]. Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, agents and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[1].
2',5'-Dihydroxyacetophenone
2,5-Dihydroxyacetophenone is an aromatic ketone. 2,5-Dihydroxyacetophenone is a natural product found in Cynanchum wilfordii and Ganoderma applanatum with data available. 2,5-Dihydroxyacetophenone is a mixture of dihydroxyacetophenone isomers is used in food flavouring. Potential component of FEMA 366 2,5-Dihydroxyacetophenone, isolated from Rehmannia glutinosa, inhibits the production of inflammatory mediators in activated macrophages by blocking the ERK1/2 and NF-κB signaling pathways[1]. 2,5-Dihydroxyacetophenone, isolated from Rehmannia glutinosa, inhibits the production of inflammatory mediators in activated macrophages by blocking the ERK1/2 and NF-κB signaling pathways[1]. 2,5-Dihydroxyacetophenone, isolated from Rehmannia glutinosa, inhibits the production of inflammatory mediators in activated macrophages by blocking the ERK1/2 and NF-κB signaling pathways[1].
2-Methoxybenzoic acid
2-Methoxybenzoic acid is a flavouring agent 2-Methoxybenzoic acid, o-anisic acid, or ortho-methoxybenzoic acid is an organic compound which is an ortho carboxylic acid. It is a crystalline solid D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Flavouring agent 2-Methoxybenzoic acid (NSC 3778) is used as an internal standard of salicylic acid and its putative biosynthetic precursors in cucumber leaves. Another known use is in the synthesis of Benextramine. 2-Methoxybenzoic acid (NSC 3778) is used as an internal standard of salicylic acid and its putative biosynthetic precursors in cucumber leaves. Another known use is in the synthesis of Benextramine.
3-Methoxybenzoic acid
3-Methoxybenzoic acid is a flavouring ingredient for foods. 3-Methoxybenzoic acid is a food additive listed in the EAFUS food Additive Database (Jan. 2001 Flavouring ingredient for foods. Food additive listed in the EAFUS Food Additive Database (Jan. 2001) 3-Methoxybenzoic acid can be used in the synthesis of 3-methoxybenzoates of europium (III) and gadolinium (III).
2',6'-Dihydroxyacetophenone
Potential component of FEMA 3662. 2,6-Dihydroxyacetophenone is a flavouring ingredien Potential component of FEMA 3662. Flavouring ingredient 2,6-Dihydroxyacetophenone is an endogenous metabolite. 2,6-Dihydroxyacetophenone is an endogenous metabolite.
1-(5-Methyl-2-furanyl)-1,2-propanedione
1-(5-Methyl-2-furanyl)-1,2-propanedione is found in coffee and coffee products. 1-(5-Methyl-2-furanyl)-1,2-propanedione is a minor constituent of coffee aroma. Minor constituent of coffee aroma. 1-(5-Methyl-2-furanyl)-1,2-propanedione is found in coffee and coffee products.
Ethyl 2-furanyl diketone
Ethyl 2-furanyl diketone is found in coffee and coffee products. Ethyl 2-furanyl diketone is a minor constituent of coffee aroma. Minor constituent of coffee aroma. Ethyl 2-furanyl diketone is found in coffee and coffee products.
1-(2-Furanyl)-1,3-butanedione
1-(2-Furanyl)-1,3-butanedione is listed in the EAFUS Food Additive Database (Jan 2001) but with no current reported use. Listed in the EAFUS Food Additive Database (Jan 2001) but with no current reported use
2',3'-Dihydroxyacetophenone
Potential component of FEMA 3662. 2,3-Dihydroxyacetophenone is a flavouring ingredien Potential component of FEMA 3662. Flavouring ingredient
3',5'-Dihydroxyacetophenone
3,5-Dihydroxyacetophenone is a mixture of dihydroxyacetophenone isomers is used in food flavouring. Potential component of FEMA 366
Methyl furfuracrylate
Methyl furfuracrylate 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-Propenyl 2-furancarboxylate
2-Propenyl 2-furancarboxylate is a flavouring ingredient. Flavouring ingredient
3-Hydroxyphenylacetic acid
A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 3-Hydroxyphenylacetic acid is an endogenous metabolite.
Isovanillin
Isovanillin is a member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. It has a role as an EC 1.2.3.1 (aldehyde oxidase) inhibitor, a plant metabolite, an antidiarrhoeal drug, an antifungal agent, a HIV protease inhibitor and an animal metabolite. It is a member of phenols, a monomethoxybenzene and a member of benzaldehydes. Isovanillin is a natural product found in Ficus erecta var. beecheyana, Sphallerocarpus gracilis, and other organisms with data available. A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. D004791 - Enzyme Inhibitors Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3]. Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3].
2-Hydroxy-4-methoxybenzaldehyde
2-Hydroxy-4-methoxybenzaldehyde is a member of methoxybenzenes and a member of phenols. 2-Hydroxy-4-methoxybenzaldehyde is a natural product found in Tarenna attenuata, Juglans nigra, and other organisms with data available. 2-hydroxy-4-methoxybenzaldehyde, also known as 4-methoxysalicylaldehyde or 2-hydroxy-P-anisaldehyde, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 2-hydroxy-4-methoxybenzaldehyde is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxy-4-methoxybenzaldehyde is a vanillin tasting compound found in black walnut, which makes 2-hydroxy-4-methoxybenzaldehyde a potential biomarker for the consumption of this food product. 2-hydroxy-4-methoxybenzaldehyde is a chemical compound and an isomer of vanillin. Urolithin M7, one of the urolithins, has also been synthesized from 2-hydroxy-4-methoxybenzaldehyde using the inverse electron-demand Diels–Alder reaction . 2-Hydroxy-4-methoxybenzaldehyde, a chemical compound and an isomer of Vanillin, could be used to synthesis Urolithin M7[1]. 2-hydroxy-4-methoxybenzaldehyde is a potent tyrosinase inhibitor from three East African medicinal plants, Mondia whitei, Rhus vulgaris Meikle, and Sclerocarya caffra Sond[2]. 2-Hydroxy-4-methoxybenzaldehyde, a chemical compound and an isomer of Vanillin, could be used to synthesis Urolithin M7[1]. 2-hydroxy-4-methoxybenzaldehyde is a potent tyrosinase inhibitor from three East African medicinal plants, Mondia whitei, Rhus vulgaris Meikle, and Sclerocarya caffra Sond[2].
4-Hydroxyphenylacetic acid
4-hydroxyphenylacetic acid, a major microbiota-derived metabolite of polyphenols, is involved in the antioxidative action. 4-hydroxyphenylacetic acid induces expression of Nrf2[1]. 4-hydroxyphenylacetic acid, a major microbiota-derived metabolite of polyphenols, is involved in the antioxidative action. 4-hydroxyphenylacetic acid induces expression of Nrf2[1].
MANDELIC ACID
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives A 2-hydroxy monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxyl groups. D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. Mandelic acid ((±)-Mandelic acid), an alpha-hydroxycarboxylic acid, has been widely used as an intermediate of pharmaceutical and fine chemicals. Mandelic acid shows antimicrobial activity and has been used for the research of urinary tract infections and vaginal trichomoniasis. Mandelic acid exhibits high sperm-immobilizing activity and low vaginal irritation[1][2].
Vanillin
CONFIDENCE standard compound; INTERNAL_ID 952; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3579; ORIGINAL_PRECURSOR_SCAN_NO 3578 D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 952; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3566; ORIGINAL_PRECURSOR_SCAN_NO 3561 CONFIDENCE standard compound; INTERNAL_ID 952; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3549; ORIGINAL_PRECURSOR_SCAN_NO 3546 CONFIDENCE standard compound; INTERNAL_ID 952; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3560; ORIGINAL_PRECURSOR_SCAN_NO 3556 CONFIDENCE standard compound; INTERNAL_ID 952; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3573; ORIGINAL_PRECURSOR_SCAN_NO 3570 CONFIDENCE standard compound; INTERNAL_ID 952; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3577; ORIGINAL_PRECURSOR_SCAN_NO 3575 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.504 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.503 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.500 Vanillin (p-Vanillin) is a single molecule extracted from vanilla beans and also a popular odor used widely in perfume, food and medicine. Vanillin (p-Vanillin) is a single molecule extracted from vanilla beans and also a popular odor used widely in perfume, food and medicine.
3-hydroxy-2,5-dimethylcyclohexa-2,5-diene-1,4-dione
2,4-Dihydroxy-6-methylbenzaldehyde
A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogen at position 6 has been replaced by a methyl group. It is a fungal metabolite isolated from Grifola frondosa and Phlebiopsis gigantea.
3',4'-Dihydroxyacetophenone
3,4-Dihydroxyacetophenone is found in coffee and coffee products. 3,4-Dihydroxyacetophenone is extracted from coffee residues. Potential component of FEMA 3662. 3,4-Dihydroxyacetophenone is a mixture of dihydroxyacetophenone isomers is used in food flavourin 3,4-dihydroxyacetophenone is a member of acetophenones. It has a role as a metabolite. 3,4-Dihydroxyacetophenone is a natural product found in Vincetoxicum atratum, Picea obovata, and other organisms with data available. D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents 3',4'-Dihydroxyacetophenone (3,4-DHAP), isolated from Picea Schrenkiana Needles exhibits a strong suppressive action against tyrosinase activity, with an IC50 of 10 μM. 3',4'-Dihydroxyacetophenone (3,4-DHAP) is a vasoactive agent and antioxidant[1][2]. 3',4'-Dihydroxyacetophenone (3,4-DHAP), isolated from Picea Schrenkiana Needles exhibits a strong suppressive action against tyrosinase activity, with an IC50 of 10 μM. 3',4'-Dihydroxyacetophenone (3,4-DHAP) is a vasoactive agent and antioxidant[1][2].
m-Anisic-acid
[Raw Data] CB243_m-Anisic-acid_pos_50eV_rep000008.txt [Raw Data] CB243_m-Anisic-acid_pos_40eV_rep000008.txt [Raw Data] CB243_m-Anisic-acid_pos_30eV_rep000008.txt [Raw Data] CB243_m-Anisic-acid_pos_20eV_rep000008.txt [Raw Data] CB243_m-Anisic-acid_pos_10eV_rep000008.txt 3-Methoxybenzoic acid can be used in the synthesis of 3-methoxybenzoates of europium (III) and gadolinium (III).
O-Anisic acid
Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2681; CONFIDENCE confident structure IPB_RECORD: 304; CONFIDENCE confident structure
3-Hydroxyphenylacetate
3-Hydroxyphenylacetic acid is an endogenous metabolite.
2-Hydroxyphenylacetic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2-Hydroxyphenylacetic acid is a potential biomarker for the food products, and found to be associated with phenylketonuria (PKU). 2-Hydroxyphenylacetic acid is a potential biomarker for the food products, and found to be associated with phenylketonuria (PKU). D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. D-(-)-Mandelic acid is a natural compound isolated from bitter almonds.
Uromaline
Mandelic acid ((±)-Mandelic acid), an alpha-hydroxycarboxylic acid, has been widely used as an intermediate of pharmaceutical and fine chemicals. Mandelic acid shows antimicrobial activity and has been used for the research of urinary tract infections and vaginal trichomoniasis. Mandelic acid exhibits high sperm-immobilizing activity and low vaginal irritation[1][2].
D-(-)-MANDELIC ACID
D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. D-(-)-Mandelic acid is a natural compound isolated from bitter almonds.
Methyl Salicylate
Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4]. Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4].
2,4-DIHYDROXYACETOPHENONE
A dihydroxyacetophenone that is acetophenone carrying hydroxy substituents at positions 2 and 4. 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite. 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite.
2,6-Dihydroxyacetophenone
2,6-Dihydroxyacetophenone is an endogenous metabolite. 2,6-Dihydroxyacetophenone is an endogenous metabolite.
3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid is an endogenous metabolite.
p-Anisic acid
p-Anisic acid (4-Methoxybenzoic acid) is one of the isomers of anisic acid, with anti-bacterial and antiseptic properties[1]. p-Anisic acid (4-Methoxybenzoic acid) is one of the isomers of anisic acid, with anti-bacterial and antiseptic properties[1].
4-Hydroxy-3-methylbenzoic acid
A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methyl group at position 3. 4-Hydroxy-3-methylbenzoic acid is a normal organic acid identified in urine specimens from a healthy population.
4-Acetoxyphenol
A phenyl acetate obtained by formal condensation of the carboxy group of acetic acid with one of the hydroxy groups of hydroquinone. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Methylparaben
Prodelphinidin trimer gc-c-c is a member of the class of compounds known as biflavonoids and polyflavonoids. Biflavonoids and polyflavonoids are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3-C3, and C6-C8. Prodelphinidin trimer gc-c-c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Prodelphinidin trimer gc-c-c can be found in beer, which makes prodelphinidin trimer gc-c-c a potential biomarker for the consumption of this food product. D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens CONFIDENCE standard compound; INTERNAL_ID 1106; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3579; ORIGINAL_PRECURSOR_SCAN_NO 3578 CONFIDENCE standard compound; INTERNAL_ID 1106; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3566; ORIGINAL_PRECURSOR_SCAN_NO 3561 CONFIDENCE standard compound; INTERNAL_ID 1106; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3549; ORIGINAL_PRECURSOR_SCAN_NO 3546 CONFIDENCE standard compound; INTERNAL_ID 1106; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3560; ORIGINAL_PRECURSOR_SCAN_NO 3556 CONFIDENCE standard compound; INTERNAL_ID 1106; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3573; ORIGINAL_PRECURSOR_SCAN_NO 3570 CONFIDENCE standard compound; INTERNAL_ID 1106; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3577; ORIGINAL_PRECURSOR_SCAN_NO 3575 CONFIDENCE standard compound; INTERNAL_ID 2371 Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, agents and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[1]. Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, agents and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[1].
Resacetophenone
2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite. 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite.
RESORCINOL MONOACETATE
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent Same as: D02393
Mandelate
Mandelic acid ((±)-Mandelic acid), an alpha-hydroxycarboxylic acid, has been widely used as an intermediate of pharmaceutical and fine chemicals. Mandelic acid shows antimicrobial activity and has been used for the research of urinary tract infections and vaginal trichomoniasis. Mandelic acid exhibits high sperm-immobilizing activity and low vaginal irritation[1][2].
2-Hydroxyphenylacetate
D-(-)-Mandelic acid is a natural compound isolated from bitter almonds. D-(-)-Mandelic acid is a natural compound isolated from bitter almonds.
3-Methylsalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
2-Anisic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 2-Methoxybenzoic acid (NSC 3778) is used as an internal standard of salicylic acid and its putative biosynthetic precursors in cucumber leaves. Another known use is in the synthesis of Benextramine. 2-Methoxybenzoic acid (NSC 3778) is used as an internal standard of salicylic acid and its putative biosynthetic precursors in cucumber leaves. Another known use is in the synthesis of Benextramine.
4-hydroxyphenylacetate
4-hydroxyphenylacetic acid, a major microbiota-derived metabolite of polyphenols, is involved in the antioxidative action. 4-hydroxyphenylacetic acid induces expression of Nrf2[1]. 4-hydroxyphenylacetic acid, a major microbiota-derived metabolite of polyphenols, is involved in the antioxidative action. 4-hydroxyphenylacetic acid induces expression of Nrf2[1].
4,3-Cresotic acid
4-Hydroxy-3-methylbenzoic acid is a normal organic acid identified in urine specimens from a healthy population.
3-Anisic acid
3-Methoxybenzoic acid can be used in the synthesis of 3-methoxybenzoates of europium (III) and gadolinium (III).
Acetylquinol
2,5-Dihydroxyacetophenone, isolated from Rehmannia glutinosa, inhibits the production of inflammatory mediators in activated macrophages by blocking the ERK1/2 and NF-κB signaling pathways[1]. 2,5-Dihydroxyacetophenone, isolated from Rehmannia glutinosa, inhibits the production of inflammatory mediators in activated macrophages by blocking the ERK1/2 and NF-κB signaling pathways[1]. 2,5-Dihydroxyacetophenone, isolated from Rehmannia glutinosa, inhibits the production of inflammatory mediators in activated macrophages by blocking the ERK1/2 and NF-κB signaling pathways[1].
1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-, (3aR,7aR)-rel-
5-Methylsalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tetracyclo[3.2.0.02,7.04,6]heptane-2-carboxylic acid, 3-hydroxy- (9CI)
anti-5-Carboxytricyclo[2.2.1.0](2,6)-heptan-3-one.
2-methyl-4-methylidene-3-oxocyclopentene-1-carboxylic acid
(1R,2S,4R,6S,7R)-(+)-3-oxotricyclo[2,2,1,02,6]heptane-7-carboxylic acid
birch-me
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018501 - Antirheumatic Agents D005404 - Fixatives Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4]. Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4].
Zimco
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants Vanillin (p-Vanillin) is a single molecule extracted from vanilla beans and also a popular odor used widely in perfume, food and medicine. Vanillin (p-Vanillin) is a single molecule extracted from vanilla beans and also a popular odor used widely in perfume, food and medicine.
Betula
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018501 - Antirheumatic Agents D005404 - Fixatives Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4]. Methyl Salicylate (Wintergreen oil) is a topical analgesic and anti-inflammatory agent. Also used as a pesticide, a denaturant, a fragrance ingredient, and a flavoring agent in food and tobacco products[1]. A systemic acquired resistance (SAR) signal in tobacco[2]. A topical nonsteroidal anti-inflammatory agent (NSAID). Methyl salicylate lactoside is a COX inhibitor[4].
4-HPA
D009676 - Noxae > D002273 - Carcinogens 4-hydroxyphenylacetic acid, a major microbiota-derived metabolite of polyphenols, is involved in the antioxidative action. 4-hydroxyphenylacetic acid induces expression of Nrf2[1]. 4-hydroxyphenylacetic acid, a major microbiota-derived metabolite of polyphenols, is involved in the antioxidative action. 4-hydroxyphenylacetic acid induces expression of Nrf2[1].
Abiol
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, agents and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[1]. Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, agents and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[1].
ANISIC ACID
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS p-Anisic acid (4-Methoxybenzoic acid) is one of the isomers of anisic acid, with anti-bacterial and antiseptic properties[1]. p-Anisic acid (4-Methoxybenzoic acid) is one of the isomers of anisic acid, with anti-bacterial and antiseptic properties[1].
AI3-38507
2-Hydroxy-4-methoxybenzaldehyde, a chemical compound and an isomer of Vanillin, could be used to synthesis Urolithin M7[1]. 2-hydroxy-4-methoxybenzaldehyde is a potent tyrosinase inhibitor from three East African medicinal plants, Mondia whitei, Rhus vulgaris Meikle, and Sclerocarya caffra Sond[2]. 2-Hydroxy-4-methoxybenzaldehyde, a chemical compound and an isomer of Vanillin, could be used to synthesis Urolithin M7[1]. 2-hydroxy-4-methoxybenzaldehyde is a potent tyrosinase inhibitor from three East African medicinal plants, Mondia whitei, Rhus vulgaris Meikle, and Sclerocarya caffra Sond[2].
614-75-5
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2-Hydroxyphenylacetic acid is a potential biomarker for the food products, and found to be associated with phenylketonuria (PKU). 2-Hydroxyphenylacetic acid is a potential biomarker for the food products, and found to be associated with phenylketonuria (PKU).
89-84-9
2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite. 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite.
AI3-20226
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 2-Methoxybenzoic acid (NSC 3778) is used as an internal standard of salicylic acid and its putative biosynthetic precursors in cucumber leaves. Another known use is in the synthesis of Benextramine. 2-Methoxybenzoic acid (NSC 3778) is used as an internal standard of salicylic acid and its putative biosynthetic precursors in cucumber leaves. Another known use is in the synthesis of Benextramine.
2-Hydroxycyclohepta-1,4,6-triene-1-carboxylic acid
1-Hydroxy-5-methyl-8-oxabicyclo(3.2.1)octa-3,6-dien-2-one
PHENOXYACETIC ACID
A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Phenoxyacetic acid is an endogenous metabolite.
3,4-Dihydroxyphenylacetaldehyde
A phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2(6H)-Benzofuranone, 7,7a-dihydro-6-hydroxy-, (6S,7aR)-
3-Methylsalicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position. C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
3-METHOXYBENZOIC ACID
A methoxybenzoic acid that is benzoic acid substituted by a methoxy group at position 3. 3-Methoxybenzoic acid can be used in the synthesis of 3-methoxybenzoates of europium (III) and gadolinium (III).
(2-Hydroxyphenyl)acetic acid
A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria.
ortho-vanillin
A member of the class of benzaldehydes that is salicylaldehyde substituted by a methoxy group at position 3.
3′,5′-Dimethoxyacetophenone
3′,5′-Dimethoxyacetophenone is a natural ketone compound with antioxidant activities. 3′,5′-Dimethoxyacetophenone is a building block in the chemical synthesis[1]. 3′,5′-Dimethoxyacetophenone is a natural ketone compound with antioxidant activities. 3′,5′-Dimethoxyacetophenone is a building block in the chemical synthesis[1].
(6r,7ar)-6-hydroxy-7,7a-dihydro-6h-1-benzofuran-2-one
(6r,7as)-6-hydroxy-6h,7h,7ah-cyclopenta[b]pyran-2-one
2-hydroxy-5-methoxy-benzyldehyde
{"Ingredient_id": "HBIN005765","Ingredient_name": "2-hydroxy-5-methoxy-benzyldehyde","Alias": "NA","Ingredient_formula": "C8H8O3","Ingredient_Smile": "COC1=CC(=C(C=C1)O)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10383","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-methoxy-4-hydroxybenzaldehyd
{"Ingredient_id": "HBIN008798","Ingredient_name": "3-methoxy-4-hydroxybenzaldehyd","Alias": "NA","Ingredient_formula": "C8H8O3","Ingredient_Smile": "COC1=C(C=CC(=C1)C=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35059","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-methyl-2,6-dihydroxy-benzaldehyde
{"Ingredient_id": "HBIN010664","Ingredient_name": "4-methyl-2,6-dihydroxy-benzaldehyde","Alias": "NA","Ingredient_formula": "C8H8O3","Ingredient_Smile": "COC1=C(C=C(C=C1)O)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14290","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-7,7α-dihydro-2(6h)-benzofuranone
{"Ingredient_id": "HBIN012406","Ingredient_name": "6-hydroxy-7,7\u03b1-dihydro-2(6h)-benzofuranone","Alias": "NA","Ingredient_formula": "C8H8O3","Ingredient_Smile": "C1C(C=CC2=CC(=O)OC21)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9996","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6R,7aR)-6-hydroxy-7,7a-dihydro-6H-benzofuran-2-one
{"Ingredient_id": "HBIN012774","Ingredient_name": "(6R,7aR)-6-hydroxy-7,7a-dihydro-6H-benzofuran-2-one","Alias": "(6R,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one; 2(6H)-benzofuranone, 7,7a-dihydro-6-hydroxy-, (6R,7aR)-; rel-(6R,7aR)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one; InChI=1/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7+/m0/s","Ingredient_formula": "C8H8O3","Ingredient_Smile": "C1C(C=CC2=CC(=O)OC21)O","Ingredient_weight": "152.15 g/mol","OB_score": "57.39314188","CAS_id": "NA","SymMap_id": "SMIT12261","TCMID_id": "NA","TCMSP_id": "MOL011342","TCM_ID_id": "NA","PubChem_id": "639165","DrugBank_id": "NA"}
(7R)-mandelic acid 7-O-β-D-glucopyranoside
{"Ingredient_id": "HBIN013460","Ingredient_name": "(7R)-mandelic acid 7-O-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C8H8O3","Ingredient_Smile": "C1=CC=C(C=C1)C(C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38955","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anisic
{"Ingredient_id": "HBIN016182","Ingredient_name": "anisic","Alias": "NA","Ingredient_formula": "C8H8O3","Ingredient_Smile": "COC1=CC=C(C=C1)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33589","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Birch acid
{"Ingredient_id": "HBIN018545","Ingredient_name": "Birch acid","Alias": "NA","Ingredient_formula": "C8H8O3","Ingredient_Smile": "COC(=O)C1=CC=CC=C1O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36685","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
