Exact Mass: 122.0368
Exact Mass Matches: 122.0368
Found 64 metabolites which its exact mass value is equals to given mass value 122.0368,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Benzoic acid
Benzoic acid appears as a white crystalline solid. Slightly soluble in water. The primary hazard is the potential for environmental damage if released. Immediate steps should be taken to limit spread to the environment. Used to make other chemicals, as a food preservative, and for other uses.
Benzoic acid is a compound comprising a benzene ring core carrying a carboxylic acid substituent. It has a role as an antimicrobial food preservative, an EC 3.1.1.3 (triacylglycerol lipase) inhibitor, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, a plant metabolite, a human xenobiotic metabolite, an algal metabolite and a drug allergen. It is a conjugate acid of a benzoate.
A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. As the sodium salt form, sodium benzoate is used as a treatment for urea cycle disorders due to its ability to bind amino acids. This leads to excretion of these amino acids and a decrease in ammonia levels. Recent research shows that sodium benzoate may be beneficial as an add-on therapy (1 gram/day) in schizophrenia. Total Positive and Negative Syndrome Scale scores dropped by 21\\\\\% compared to placebo.
Benzoic acid is a Nitrogen Binding Agent. The mechanism of action of benzoic acid is as an Ammonium Ion Binding Activity.
Benzoic acid, C6H5COOH, is a colourless crystalline solid and the simplest aromatic carboxylic acid. Benzoic acid occurs naturally free and bound as benzoic acid esters in many plant and animal species. Appreciable amounts have been found in most berries (around 0.05\\\\\%). Cranberries contain as much as 300-1300 mg free benzoic acid per kg fruit. Benzoic acid is a fungistatic compound that is widely used as a food preservative. It often is conjugated to glycine in the liver and excreted as hippuric acid. Benzoic acid is a byproduct of phenylalanine metabolism in bacteria. It is also produced when gut bacteria process polyphenols (from ingested fruits or beverages).
A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.
See also: Salicylic Acid (active moiety of); Benzoyl Peroxide (active moiety of); Sodium Benzoate (active moiety of) ... View More ...
Widespread in plants especies in essential oils and fruits, mostly in esterified formand is also present in butter, cooked meats, pork fat, white wine, black and green tea, mushroom and Bourbon vanilla. It is used in foodstuffs as antimicrobial and flavouring agent and as preservative. In practical food preservation, the Na salt of benzoic acid is the most widely used form (see
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde, also known as 4-formylphenol or 4-hydroxybenzenecarbonal, belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. 4-Hydroxybenzaldehyde exists in all living organisms, ranging from bacteria to humans. 4-Hydroxybenzaldehyde is a sweet, almond, and balsam tasting compound. 4-Hydroxybenzaldehyde is found, on average, in the highest concentration within vinegars and oats. 4-Hydroxybenzaldehyde has also been detected, but not quantified, in several different foods, such as cardoons, colorado pinyons, oyster mushrooms, common chokecherries, and potato. This could make 4-hydroxybenzaldehyde a potential biomarker for the consumption of these foods. 4-hydroxybenzaldehyde is a hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. It has a role as a plant metabolite, a mouse metabolite and an EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor. 4-Hydroxybenzaldehyde is a natural product found in Ficus septica, Visnea mocanera, and other organisms with data available. Occurs naturally combined in many glycosides. Constituent of vanillin. Isol. in free state from opium poppy (Papaver somniferum) A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. 4-Hydroxybenzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=123-08-0 (retrieved 2024-07-02) (CAS RN: 123-08-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.
3-Hydroxybenzaldehyde
3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3. 3-Hydroxybenzaldehyde is a natural product found in Rhytidoponera metallica, Marchantia polymorpha, and other organisms with data available. 3-Hydroxybenzaldehyde, also known as 3-hydroxybenzaldehyde or m-hydroxybenzaldehyde, is an organic compound belonging to the class of aromatic aldehydes. Its chemical formula is C7H6O2 and it is characterized by a benzene ring with a hydroxyl group (-OH) and an aldehyde group (-CHO) attached at the meta position on the ring. Biologically, 3-hydroxybenzaldehyde has been found to possess several interesting properties: 1. **Antioxidant Activity**: It exhibits antioxidant properties, which means it can neutralize harmful free radicals in the body. This can be beneficial in reducing oxidative stress, which is associated with various diseases and aging. 2. **Antimicrobial Effects**: 3-Hydroxybenzaldehyde has shown antimicrobial activity against a range of microorganisms, including bacteria and fungi. This makes it a potential candidate for the development of new antimicrobial agents. 3. **Anti-inflammatory Properties**: Some studies have indicated that this compound may have anti-inflammatory effects, which could be useful in the treatment of inflammatory conditions. 4. **Cytotoxicity**: It has been observed to have cytotoxic effects on certain types of cancer cells, suggesting a potential role in cancer therapy. However, more research is needed in this area. 5. **Enzyme Inhibition**: 3-Hydroxybenzaldehyde can inhibit the activity of certain enzymes, which may have implications in the management of conditions where these enzymes play a pathological role. It's important to note that while 3-hydroxybenzaldehyde has these biological properties, its use in practical applications, especially in a medical context, is still largely experimental and requires further research. The compound's effects and safety profile need to be thoroughly evaluated before it can be considered for widespread use in therapeutic or preventive treatments. 3-Hydroxybenzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=100-83-4 (retrieved 2024-08-06) (CAS RN: 100-83-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1]. 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1]. 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1].
2-Hydroxybenzaldehyde
2-Hydroxybenzaldehyde, also known as salicylal or O-formylphenol, belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. 2-Hydroxybenzaldehyde is a cinnamon, cooling, and medical tasting compound. 2-Hydroxybenzaldehyde is found, on average, in the highest concentration within peppermints. 2-Hydroxybenzaldehyde has also been detected, but not quantified, in several different foods, such as common buckwheats, garden tomato (var.), herbs and spices, and tea. This could make 2-hydroxybenzaldehyde a potential biomarker for the consumption of these foods. 2-Hydroxybenzaldehyde is a potentially toxic compound. Present in cinnamon (Cinnamomum versum). Flavouring ingredient. 2-Hydroxybenzaldehyde is found in many foods, some of which are garden tomato (variety), herbs and spices, common buckwheat, and tea.
Tropolone
Tropolone, a ?tropone derivative with a?hydroxyl group?in the 2-position, is a precursor?of manyazulene derivatives such as?methyl 2-methylazulene-1-carboxylate[1]. Tropolone is a potent inhibitor of mushroom tyrosinase with a IC50 of 0.4 μM, and the inhibition can be reversed by dialysis or by excess CU2+[2].
3-(2-Furanyl)-2-propenal
3-(2-Furanyl)-2-propenal is found in alcoholic beverages. 3-(2-Furanyl)-2-propenal is present in rum and coffee. 3-(2-Furanyl)-2-propenal is a flavouring ingredient. Present in rum and coffee. Flavouring ingredient. 3-(2-Furanyl)-2-propenal is found in alcoholic beverages and coffee and coffee products.
Thiodiglycol
Thiodiglycol, or bis(2-hydroxyethyl)sulfide (also known as 2,2-thiodiethanol or TDE), is a viscous, clear to pale-yellow liquid used as a solvent. Its chemical formula is C4H10O2S, or HOCH2CH2SCH2CH2OH. It is miscible with acetone, alcohols, and chloroform. It is soluble in benzene, ether, and tetrachloromethane. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors
Oxalates
Oxalates is slightly soluble (in water) and a moderately basic compound (based on its pKa). Oxalates can be found in cocoa bean and purslane, which makes oxalates a potential biomarker for the consumption of these food products. Oxalate (IUPAC: ethanedioate) is the dianion with the formula C 2O2‚àí 4, also written (COO)2‚àí 2. Either name is often used for derivatives, such as salts of oxalic acid, for example sodium oxalate Na2C2O4, or dimethyl oxalate ((CH3)2C2O4). Oxalate also forms coordination compounds where it is sometimes abbreviated as ox . Oxalates is slightly soluble (in water) and a moderately basic compound (based on its pKa). Oxalates can be found in cocoa bean and purslane, which makes oxalates a potential biomarker for the consumption of these food products. Oxalate (IUPAC: ethanedioate) is the dianion with the formula C 2O2− 4, also written (COO)2− 2. Either name is often used for derivatives, such as salts of oxalic acid, for example sodium oxalate Na2C2O4, or dimethyl oxalate ((CH3)2C2O4). Oxalate also forms coordination compounds where it is sometimes abbreviated as ox .
Tropolone
Tropolone is a cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. It has a role as a bacterial metabolite, a toxin and a fungicide. It is a cyclic ketone, an enol and an alpha-hydroxy ketone. It derives from a hydride of a cyclohepta-1,3,5-triene. A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS). A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. Tropolone, a ?tropone derivative with a?hydroxyl group?in the 2-position, is a precursor?of manyazulene derivatives such as?methyl 2-methylazulene-1-carboxylate[1]. Tropolone is a potent inhibitor of mushroom tyrosinase with a IC50 of 0.4 μM, and the inhibition can be reversed by dialysis or by excess CU2+[2].
p-Hydroxybenzaldehyde
p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.
Benzoic Acid
Benzoic acid is an aromatic alcohol existing naturally in many plants and is a common additive to food, drinks, cosmetics and other products. It acts as preservatives through inhibiting both bacteria and fungi. Benzoic acid is an aromatic alcohol existing naturally in many plants and is a common additive to food, drinks, cosmetics and other products. It acts as preservatives through inhibiting both bacteria and fungi.
4-Hydroxybenzaldehyde
p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.
thiodiglycol
A diol that is pentane-1,5-diol in which the methylene group at position 3 is replaced by a sulfur atom C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors
DIETHYL SULFONE
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D004071 - Digitalis Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
FR-0985
p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.
3-Formylphenol
3-Hydroxybenzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=100-83-4 (retrieved 2024-08-06) (CAS RN: 100-83-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1]. 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1]. 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1].
benzonic acid methyl ester
{"Ingredient_id": "HBIN017800","Ingredient_name": "benzonic acid methyl ester","Alias": "NA","Ingredient_formula": "C7H6O2","Ingredient_Smile": "C1=CC=C(C=C1)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
