Exact Mass: 301.9982

Exact Mass Matches: 301.9982

Found 33 metabolites which its exact mass value is equals to given mass value 301.9982, 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.

   

Erythrityl Tetranitrate

(2R*,3S)-rel-1,2,3,4-butanetetroltetranitric acid

C4H6N4O12 (301.9982)


Erythrityl Tetranitrate is only found in individuals that have used or taken this drug. It is a vasodilator with general properties similar to nitroglycerin. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1020)Similar to other nitrites and organic nitrates, erythrityl tetranitrate is converted to an active intermediate compound which activates the enzyme guanylate cyclase. This stimulates the synthesis of cyclic guanosine 3,5-monophosphate (cGMP) which then activates a series of protein kinase-dependent phosphorylations in the smooth muscle cells, eventually resulting in the dephosphorylation of the myosin light chain of the smooth muscle fiber. The subsequent release of calcium ions results in the relaxation of the smooth muscle cells and vasodilation. C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

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)


   

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)


   

Nitroerythrol

(2S,3R)-2,3,4-tris(nitrooxy)butyl nitrate

C4H6N4O12 (301.9982)


C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

1-(2,5-Dichlorophenyl)piperazine dihydrochloride

1-(2,5-Dichlorophenyl)piperazine dihydrochloride

C10H14Cl4N2 (301.9911)


   

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

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

C15H8Cl2N2O (302.0014)


   

1-(3,5-DICHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROLE

1-(3,5-DICHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROLE

C10H14Cl4N2 (301.9911)


   

1h,6h-perfluorohexane

1h,6h-perfluorohexane

C6H2F12 (301.9965)


   

2,5-bis(trifluoromethyl)terephthalic acid

2,5-bis(trifluoromethyl)terephthalic acid

C10H4F6O4 (302.0014)


   

4-chlorophenyl 2,5-difluorobenzyl sulfone

4-chlorophenyl 2,5-difluorobenzyl sulfone

C13H9ClF2O2S (301.998)


   

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)


   

1-(2,3,4,5,6-PENTAMETHYLPHENYL)-2-PHENYLETHANE-1,2-DIONE

1-(2,3,4,5,6-PENTAMETHYLPHENYL)-2-PHENYLETHANE-1,2-DIONE

C10H14Cl4N2 (301.9911)


   

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)


   

1-(4-Bromophenyl)-3-phenyl-1,3-propanedione

1-(4-Bromophenyl)-3-phenyl-1,3-propanedione

C15H11BrO2 (301.9942)


   

6-Bromo-4-phenylchroman-2-one

6-Bromo-4-phenylchroman-2-one

C15H11BrO2 (301.9942)


   

1,3-Propanedione,2-bromo-1,3-diphenyl-

1,3-Propanedione,2-bromo-1,3-diphenyl-

C15H11BrO2 (301.9942)


   

3-Iodo-4-isopropoxy-1H-pyrrolo[2,3-b]pyridine

3-Iodo-4-isopropoxy-1H-pyrrolo[2,3-b]pyridine

C10H11IN2O (301.9916)


   

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

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

C12H12Cl2N2OS (302.0047)


   

Triethyl phosphonobromoacetate

Triethyl phosphonobromoacetate

C8H16BrO5P (301.9919)


   

malathion monocarboxylic acid

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

C8H15O6PS2 (302.0048)


   

4-(BROMOMETHYL)BENZIL

4-(BROMOMETHYL)BENZIL

C15H11BrO2 (301.9942)


   

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-Bromoflavanone

6-Bromoflavanone

C15H11BrO2 (301.9942)


   

eritrityl tetranitrate

Erythrityl Tetranitrate

C4H6N4O12 (301.9982)


C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents