Exact Mass: 302.0113

Exact Mass Matches: 302.0113

Found 36 metabolites which its exact mass value is equals to given mass value 302.0113, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Ellagic acid

6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione

C14H6O8 (302.0063)


Ellagic acid appears as cream-colored needles (from pyridine) or yellow powder. Odorless. (NTP, 1992) Ellagic acid is an organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. It has a role as an antioxidant, a food additive, a plant metabolite, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor, an EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor, an EC 2.4.1.1 (glycogen phosphorylase) inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor, an EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor, an EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor, an EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor, a skin lightening agent, a fungal metabolite, an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor and a geroprotector. It is an organic heterotetracyclic compound, a cyclic ketone, a lactone, a member of catechols and a polyphenol. It is functionally related to a gallic acid. Ellagic acid is present in several fruits such as cranberries, strawberries, raspberries, and pomegranates. In pomegranates, there are several therapeutic compounds but ellagic acid is the most active and abundant. Ellagic acid is also present in vegetables. Ellagic acid is an investigational drug studied for treatment of Follicular Lymphoma (phase 2 trial), protection from brain injury of intrauterine growth restricted babies (phase 1 and 2 trial), improvement of cardiovascular function in adolescents who are obese (phase 2 trial), and topical treatment of solar lentigines. Ellagic acids therapeutic action mostly involves antioxidant and anti-proliferative effects. Ellagic acid is a natural product found in Fragaria chiloensis, Metrosideros perforata, and other organisms with data available. Ellagic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A fused four ring compound occurring free or combined in galls. Isolated from the kino of Eucalyptus maculata Hook and E. Hemipholia F. Muell. Activates Factor XII of the blood clotting system which also causes kinin release; used in research and as a dye. Ellagic acid is an organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. It has a role as an antioxidant, a food additive, a plant metabolite, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor, an EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor, an EC 2.4.1.1 (glycogen phosphorylase) inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor, an EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor, an EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor, an EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor, a skin lightening agent, a fungal metabolite and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is an organic heterotetracyclic compound, a cyclic ketone, a lactone, a member of catechols and a polyphenol. It derives from a gallic acid. Ellagic acid, also known as ellagate, belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. The antiproliferative and antioxidant properties of ellagic acid have spurred preliminary research into the potential health benefits of ellagic acid consumption. Ellagic acids therapeutic action mostly involves antioxidant and anti-proliferative/anti-cancer effects. Ellagic acid is found, on average, in the highest concentration within a few different foods, such as chestnuts, common walnuts, and japanese walnuts and in a lower concentration in whiskies, arctic blackberries, and cloudberries. Ellagic acid has also been detected, but not quantified in several different foods, such as lowbush blueberries, bilberries, guava, strawberry guava, and bog bilberries. An organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. Widely distributed in higher plants especies dicotyledons. Intestinal astringent, dietary role disputed. Nutriceutical with anticancer and antioxidation props. Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM. Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM.

   

Clofentezine

3,6-Bis(O-chlorophenyl)-1,2,4,5-tetrazine

C14H8Cl2N4 (302.0126)


   

Ethacrynic acid

2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid

C13H12Cl2O4 (302.0113)


A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic. [PubChem] C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CC - Aryloxyacetic acid derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D004791 - Enzyme Inhibitors

   

Malathion monocarboxylic acid

3-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-4-ethoxy-4-oxobutanoic acid

C8H15O6PS2 (302.0048)


Malathion monocarboxylic acid is a metabolite of malathion. Malathion is an organophosphate parasympathomimetic which binds irreversibly to cholinesterase. Malathion is an insecticide of relatively low human toxicity; however, a 2010 study has shown that children with higher levels of organophosphate pesticide metabolites in their urine are more likely to have attention deficit hyperactivity disorder. In the former USSR it was known as carbophos, in New Zealand and Australia as maldison and in South Africa as mercaptothion. (Wikipedia)

   

O,O-Dimethyl malathion

1,4-dimethyl 2-{[dimethoxy(sulfanylidene)-lambda5-phosphanyl]sulfanyl}butanedioate

C8H15O6PS2 (302.0048)


   

9-(6-Sulfanylidene-3H-purin-9-yl)-3H-purine-6-thione

9-(6-Sulphanylidene-3H-purin-9-yl)-3H-purine-6-thione

C10H6N8S2 (302.0157)


   

2-Hydroxy-4-phosphonooxy-butan-1,2,4-tricarbonsaeure|2-hydroxy-4-phosphonooxy-butane-1,2,4-tricarboxylic acid

2-Hydroxy-4-phosphonooxy-butan-1,2,4-tricarbonsaeure|2-hydroxy-4-phosphonooxy-butane-1,2,4-tricarboxylic acid

C7H11O11P (302.0039)


   

ZINC86860227

ZINC86860227

C14H6O8 (302.0063)


   

Ellagic Acid

Ellagic Acid

C14H6O8 (302.0063)


Origin: Plant, Ellagic acids, Benzopyranoids, Pyrans Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM. Ellagic acid is a natural antioxidant, and acts as a potent and ATP-competitive CK2 inhibitor, with an IC50 of 40 nM and a Ki of 20 nM.

   

Ellagic Acid_major

Ellagic Acid_major

C14H6O8 (302.0063)


   

Clofentezine

Pesticide4_Clofentezine_C14H8Cl2N4_1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-

C14H8Cl2N4 (302.0126)


   

ETHACRYNIC ACID

ETHACRYNIC ACID

C13H12Cl2O4 (302.0113)


C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CC - Aryloxyacetic acid derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D004791 - Enzyme Inhibitors

   

6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde

6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde

C15H8Cl2N2O (302.0014)


   

2,5-bis(trifluoromethyl)terephthalic acid

2,5-bis(trifluoromethyl)terephthalic acid

C10H4F6O4 (302.0014)


   

4,4,5,5,6,6,7,7-OCTAFLUORO-3-OXOHEPTANOIC ACID METHYL ESTER

4,4,5,5,6,6,7,7-OCTAFLUORO-3-OXOHEPTANOIC ACID METHYL ESTER

C8H6F8O3 (302.0189)


   
   

9H-Purine,6,6-dithiodi-

9H-Purine,6,6-dithiodi-

C10H6N8S2 (302.0157)


   

2-bromo-1-(4-phenyldiazenylphenyl)ethanone

2-bromo-1-(4-phenyldiazenylphenyl)ethanone

C14H11BrN2O (302.0055)


   

3-BROMO-2-(4-METHOXY-PHENYL)-IMIDAZO[1,2-A]PYRIDINE

3-BROMO-2-(4-METHOXY-PHENYL)-IMIDAZO[1,2-A]PYRIDINE

C14H11BrN2O (302.0055)


   

4-(5-chloro-2-(methylthio)thiazolo[4,5-d]pyrimidin-7-yl)morpholine

4-(5-chloro-2-(methylthio)thiazolo[4,5-d]pyrimidin-7-yl)morpholine

C10H11ClN4OS2 (302.0063)


   

6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

C14H11BrN2O (302.0055)


   

3-(2-Bromo-4-ethoxy-5-methoxyphenyl)propanoic acid

3-(2-Bromo-4-ethoxy-5-methoxyphenyl)propanoic acid

C12H15BrO4 (302.0154)


   

1-(2-CHLORO-6-METHYL-4-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE

1-(2-CHLORO-6-METHYL-4-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE

C11H11ClN2O4S (302.0128)


   

(4-bromophenyl)sulfanyl-tert-butyl-dimethylsilane

(4-bromophenyl)sulfanyl-tert-butyl-dimethylsilane

C12H19BrSSi (302.016)


   

(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid

(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid

C13H12Cl2O4 (302.0113)


   

3-Chloro-2-((S)-pyrrolidin-3-yloxy)-5-trifluoroMethyl-pyridine hydrochloride

3-Chloro-2-((S)-pyrrolidin-3-yloxy)-5-trifluoroMethyl-pyridine hydrochloride

C10H11Cl2F3N2O (302.02)


   

1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBONYL CHLORIDE HYDROCHLORIDE

1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBONYL CHLORIDE HYDROCHLORIDE

C12H12Cl2N2OS (302.0047)


   

malathion monocarboxylic acid

Butanedioic acid, ((dimethoxyphosphinothioyl)thio)-, monoethyl ester

C8H15O6PS2 (302.0048)


   

4-CHLORO-2-(3-CHLORO-4-FLUOROPHENYL)-5-(1-METHYL-HYDRAZINO)-3-(2H)-PYRIDAZINONE

4-CHLORO-2-(3-CHLORO-4-FLUOROPHENYL)-5-(1-METHYL-HYDRAZINO)-3-(2H)-PYRIDAZINONE

C11H9Cl2FN4O (302.0137)


   

8-(BENZYLOXY)-3-BROMOIMIDAZO[1,2-A]PYRIDINE

8-(BENZYLOXY)-3-BROMOIMIDAZO[1,2-A]PYRIDINE

C14H11BrN2O (302.0055)


   

O,O-Dimethyl malathion

O,O-Dimethyl malathion

C8H15O6PS2 (302.0048)


   

6-(Difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid

6-(Difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid

C12H9F2O5P (302.0156)


   

Reomax

Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova [Czech]

C13H12Cl2O4 (302.0113)


C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CC - Aryloxyacetic acid derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D004791 - Enzyme Inhibitors

   

(5-Bromo-2-propoxyphenyl)methyl carbamimidothioate

(5-Bromo-2-propoxyphenyl)methyl carbamimidothioate

C11H15BrN2OS (302.0088)


   

(5,6-dimethoxy-2-oxochromen-7-yl)oxidanesulfonic acid

(5,6-dimethoxy-2-oxochromen-7-yl)oxidanesulfonic acid

C11H10O8S (302.0096)