Exact Mass: 122.028

Exact Mass Matches: 122.028

Found 90 metabolites which its exact mass value is equals to given mass value 122.028, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Benzoic acid

ScavengePore(TM) benzoic acid, macroporous, 40-70 mesh, extent of labeling: 0.5-1.5 mmol per g loading

C7H6O2 (122.0368)


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 MDQ71-S). The antimicrobial activity comprises a wide range of microorganisms, particularly yeasts and moulds. Undissociated benzoic acid is more effective than dissociated, thus the preservative action is more efficient in acidic foodstuffs. Typical usage levels are 500-2000 ppm. Benzoic acid is found in many foods, some of which are animal foods, common grape, lovage, and fruits. 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). It can be found in Serratia (PMID:23061754). Benzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=65-85-0 (retrieved 2024-06-28) (CAS RN: 65-85-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 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

4-hydroxybenzaldehyde

C7H6O2 (122.0368)


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

Benzaldehyde, 3-hydroxy-

C7H6O2 (122.0368)


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-Hydroxy-1-benzaldehyde

C7H6O2 (122.0368)


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

2-Hydroxy-2,4,6-cycloheptatrien-1-one

C7H6O2 (122.0368)


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].

   

Methyl propyl disulfide

Methyl propyl disulfide, >=95\\%, FG

C4H10S2 (122.0224)


Constituent of chive (Allium schoenoprasum) and other Allium subspecies Flavouring component of onion oiland is also present in cooked cabbage, French fried potato, cooked beef, roasted peanut, brussel sprouts and tomato. Methyl propyl disulfide is found in many foods, some of which are potato, nuts, chives, and brassicas. Methyl propyl disulfide is found in animal foods. Methyl propyl disulfide is a constituent of chive (Allium schoenoprasum) and other Allium species Methyl propyl disulfide is a flavouring component of onion oil. Also present in cooked cabbage, French fried potato, cooked beef, roasted peanut, brussel sprouts and tomato Methyl propyl disulfide is an organic disulfide. Methyl propyl disulfide is a natural product found in Azadirachta indica, Allium chinense, and other organisms with data available. Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2]. Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2].

   

Diethyl disulfide

1-(Ethyldisulfanyl)ethane

C4H10S2 (122.0224)


Diethyl disulfide, also known as 1,1-dithiodiethane or 3,4-dithiahexane, belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R where R and R are both alkyl groups. Diethyl disulfide is possibly neutral. Diethyl disulfide is a garlic and greasy tasting compound. Diethyl disulfide has been detected, but not quantified, in cabbages and fruits. Present in durian fruit. Diethyl disulfide is found in fruits.

   

2,3-Butanedithiol

2,3-Dimercaptobutane

C4H10S2 (122.0224)


2,3-Butanedithiol is a flavouring agent Flavouring agent

   

1,2-Bis(methylthio)ethane

Ethane, 1,2-bis(methylthio)- (9ci)

C4H10S2 (122.0224)


1,2-bis(methylthio)ethane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

3-(2-Furanyl)-2-propenal

(2Z)-3-(furan-2-yl)prop-2-enal

C7H6O2 (122.0368)


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.

   

(±)-1,3-Butanedithiol

(±)-1,3-Butanedithiol

C4H10S2 (122.0224)


1,3-Butanedithiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). Flavouring agent

   

1,2-Butanedithiol

1-Ethyl-1,2-ethanedithiol

C4H10S2 (122.0224)


(±)-1,2-Butanedithiol is a flavouring agent. It is used as a food additive

   

1,3-Benzodioxole

1,2-(Methylenedioxy)benzene

C7H6O2 (122.0368)


   

Para-Nitrophenyl

6-nitrocyclohexa-2,3,5-trien-1-yl

C6H4NO2 (122.0242)


   

Imidazotetrazine

5H-imidazo[4,5-e][1,2,3,4]tetrazine

C3H2N6 (122.0341)


   

Oxalates

diazaniumyl oxalate

C2H6N2O4 (122.0328)


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 .

   

p-Toluquinone

2-Methylcyclohexa-2,5-diene-1,4-dione

C7H6O2 (122.0368)


   

2-(Methyldisulfanyl)propane

2-(Methyldisulfanyl)propane

C4H10S2 (122.0224)


   

PHENYL FORMATE

PHENYL FORMATE

C7H6O2 (122.0368)


   

thiobenzaldehyde

thiobenzaldehyde

C7H6S (122.019)


   

Tropolone

InChI=1/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9

C7H6O2 (122.0368)


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

C7H6O2 (122.0368)


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

C7H6O2 (122.0368)


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

4-Hydroxybenzaldehyde

C7H6O2 (122.0368)


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.

   

2-Hydroxybenzaldehyde

2-Hydroxybenzaldehyde

C7H6O2 (122.0368)


   

benzoate

benzoate

C7H6O2 (122.0368)


   

Benzoic acid; LC-tDDA; CE10

Benzoic acid; LC-tDDA; CE10

C7H6O2 (122.0368)


   

Sodium Benzoate

Sodium Benzoate

C7H6O2 (122.0368)


   

Ethyl disulphide

1-(Ethyldisulfanyl)ethane

C4H10S2 (122.0224)


   

UNII:69G298U39K

2,3-Dimercaptobutane

C4H10S2 (122.0224)


   

CH3Sch2ch2Sch3

Ethane, 1,2-bis(methylthio)- (9ci)

C4H10S2 (122.0224)


   

Methyldithiopropane

1-(Methyldisulfanyl)propane

C4H10S2 (122.0224)


Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2]. Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2].

   

&beta

(2Z)-3-(furan-2-yl)prop-2-enal

C7H6O2 (122.0368)


   

butane-1,3-dithiol

(±)-1,3-Butanedithiol

C4H10S2 (122.0224)


   

FEMA 3528

1-Ethyl-1,2-ethanedithiol

C4H10S2 (122.0224)


   

1,1,2-TRIFLUORO-1,3-PENTADIENE

1,1,2-TRIFLUORO-1,3-PENTADIENE

C5H5F3 (122.0343)


   

Furylacrolein

2-Propenal,3-(2-furanyl)-, (2E)-

C7H6O2 (122.0368)


   

METHYL 2-FLUORO-3-HYDROXYPROPANOATE

METHYL 2-FLUORO-3-HYDROXYPROPANOATE

C4H7FO3 (122.0379)


   

3-PYRAZOLIDINONE HYDROCHLORIDE

3-PYRAZOLIDINONE HYDROCHLORIDE

C3H7ClN2O (122.0247)


   

2-AMINO-2-OXAZOLINE HYDROCHLORIDE

2-AMINO-2-OXAZOLINE HYDROCHLORIDE

C3H7ClN2O (122.0247)


   

benzoic acid-13C

benzoic acid-13C

C7H6O2 (122.0368)


   

2-ETHYNYL-3-METHYL-THIOPHENE

2-ETHYNYL-3-METHYL-THIOPHENE

C7H6S (122.019)


   

2-Cyano-4-fluoropyridine

2-Cyano-4-fluoropyridine

C6H3FN2 (122.028)


   

2-Cyano-5-fluoropyridine

2-Cyano-5-fluoropyridine

C6H3FN2 (122.028)


   

3-(Aminooxy)propanenitrile hydrochloride (1:1)

3-(Aminooxy)propanenitrile hydrochloride (1:1)

C3H7ClN2O (122.0247)


   

3-Fluoro-4-cyanopyridine

3-Fluoro-4-cyanopyridine

C6H3FN2 (122.028)


   

Chloro(ethyl)dimethylsilane

Chloro(ethyl)dimethylsilane

C4H11ClSi (122.0319)


   

1,4-Butanedithiol

1,4-Butanedithiol

C4H10S2 (122.0224)


   

5-Cyano-2-fluoropyridine

5-Cyano-2-fluoropyridine

C6H3FN2 (122.028)


   

benzoic acid[7-14c]

benzoic acid[7-14c]

C7H6O2 (122.0368)


   

2-Cyano-3-fluoropyridine

2-Cyano-3-fluoropyridine

C6H3FN2 (122.028)


   

2-Fluoroisonicotinonitrile

2-Fluoroisonicotinonitrile

C6H3FN2 (122.028)


   

Imidazolidin-4-one hydrochloride

Imidazolidin-4-one hydrochloride

C3H7ClN2O (122.0247)


   

4-Fluoro-nicotinonitrile

4-Fluoro-nicotinonitrile

C6H3FN2 (122.028)


   

6-Fluoro-2-pyridinecarbonitrile

6-Fluoro-2-pyridinecarbonitrile

C6H3FN2 (122.028)


   

2-Fluoronicotinonitrile

2-Fluoronicotinonitrile

C6H3FN2 (122.028)


   

3-Cyano-5-fluoropyridine

3-Cyano-5-fluoropyridine

C6H3FN2 (122.028)


   

Chloromethyltrimethylsilane

(Chloromethyl)trimethylsilane

C4H11ClSi (122.0319)


   

2-ethynyl-5-methylthiophene

2-ethynyl-5-methylthiophene

C7H6S (122.019)


   

benzoic acid-14C

benzoic acid-14C

C7H6O2 (122.0368)


   

1,3-butanedithiol

1,3-butanedithiol

C4H10S2 (122.0224)


   

Urea,N-(2-chloroethyl)-

Urea,N-(2-chloroethyl)-

C3H7ClN2O (122.0247)


   

Nitrocyclohexatriene

Nitrocyclohexatriene

C6H4NO2 (122.0242)


   

2-Ethylthioethanethiol

2-Ethylthioethanethiol

C4H10S2 (122.0224)


   

bis(Hydroxymethyl)nitramine

bis(Hydroxymethyl)nitramine

C2H6N2O4 (122.0328)


   

FR-0985

4-08-00-00251 (Beilstein Handbook Reference)

C7H6O2 (122.0368)


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.

   

AI3-38157

1-methyldisulfanylpropane

C4H10S2 (122.0224)


Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2]. Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2].

   

XL1-XL1

InChI=1\C4H10S2\c1-3-5-6-4-2\h3-4H2,1-2H

C4H10S2 (122.0224)


   

3-Formylphenol

3-Hydroxybenzaldehyde

C7H6O2 (122.0368)


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].

   

Salicylal

4-08-00-00176 (Beilstein Handbook Reference)

C7H6O2 (122.0368)


   

Benzenecarbothialdehyde

Benzenecarbothialdehyde

C7H6S (122.019)


   
   

nicotinate

nicotinate

C6H4NO2- (122.0242)


A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D018977 - Micronutrients > D014815 - Vitamins D009676 - Noxae > D000963 - Antimetabolites COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Picolinate

Picolinate

C6H4NO2- (122.0242)


A pyridinemonocarboxylate resulting from the removal of a proton from the carboxy group of picolinic acid. D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents

   

Isonicotinate

Isonicotinate

C6H4NO2- (122.0242)


A pyridinemonocarboxylate resulting from the deprotonation of the carboxy group of isonicotinic acid.

   

L-cysteinium

L-cysteinium

C3H8NO2S+ (122.0276)


The L-enantiomer of cysteinium.

   
   

D-cysteinium

D-cysteinium

C3H8NO2S+ (122.0276)


The D-enantiomer of cysteinium.

   

3H-1,2-benzodioxole

3H-1,2-benzodioxole

C7H6O2 (122.0368)


   

SALICYLALDEHYDE

SALICYLALDEHYDE

C7H6O2 (122.0368)


A hydroxybenzaldehyde carrying a hydroxy substituent at position 2.

   

DIETHYL DISULFIDE

DIETHYL DISULFIDE

C4H10S2 (122.0224)


   

1,2-Bis(methylthio)ethane

1,2-Bis(methylthio)ethane

C4H10S2 (122.0224)


   

1,3-Benzodioxole

1,3-Benzodioxole

C7H6O2 (122.0368)


   

1,2-Butanedithiol

1,2-Butanedithiol

C4H10S2 (122.0224)


   

Hydroxybenzaldehyde

Hydroxybenzaldehyde

C7H6O2 (122.0368)


   

3-methylcyclohexa-3,5-diene-1,2-dione

3-methylcyclohexa-3,5-diene-1,2-dione

C7H6O2 (122.0368)


   

benzonic acid methyl ester

NA

C7H6O2 (122.0368)


{"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"}

   

5-methylidenecyclopenta-1,3-diene-1-carboxylic acid

5-methylidenecyclopenta-1,3-diene-1-carboxylic acid

C7H6O2 (122.0368)


   

2-methylpropane-1,2-dithiol

2-methylpropane-1,2-dithiol

C4H10S2 (122.0224)


   

1-(ethylsulfanyl)ethanethiol

1-(ethylsulfanyl)ethanethiol

C4H10S2 (122.0224)