Exact Mass: 222.014
Exact Mass Matches: 222.014
Found 500 metabolites which its exact mass value is equals to given mass value 222.014,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isofraxidin
Isofraxidin, also known as 6,8-dimethoxy-7-hydroxycoumarin or 7-hydroxy-6,8-dimethoxy-2h-1-benzopyran-2-one, is a member of the class of compounds known as 7-hydroxycoumarins. 7-hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. Isofraxidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isofraxidin can be found in muskmelon, tarragon, and watermelon, which makes isofraxidin a potential biomarker for the consumption of these food products. Isofraxidin is a chemical compound found in a variety of plants including Eleutherococcus senticosus . Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].
Fraxidin
Fraxidin is a hydroxycoumarin. Fraxidin is a natural product found in Artemisia minor, Melilotus messanensis, and other organisms with data available. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2344 Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2]. Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2].
Acetazolamide
One of the carbonic anhydrase inhibitors that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337) S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EC - Carbonic anhydrase inhibitors D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics CONFIDENCE standard compound; EAWAG_UCHEM_ID 3011
2-succinylbenzoate
O-succinylbenzoate, also known as 4-(2-carboxyphenyl)-4-oxobutyric acid or 2-(3-carboxypropionyl)benzoic acid, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. O-succinylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). O-succinylbenzoate can be synthesized from benzoic acid. O-succinylbenzoate can also be synthesized into 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA. O-succinylbenzoate can be found in a number of food items such as nectarine, green bean, japanese persimmon, and rye, which makes O-succinylbenzoate a potential biomarker for the consumption of these food products. O-succinylbenzoate may be a unique E.coli metabolite.
6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid
Bromisoval
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic Same as: D01391
2,4'-Dichlorobiphenyl
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
2,6-Dichlorobiphenyl
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
Tert-Butylbicyclophosphorothionate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
3-Deoxy-D-Lyxo-Heptopyran-2-ularic Acid
Isofraxidin
Isofraxidin is a hydroxycoumarin. Isofraxidin is a natural product found in Artemisia alba, Artemisia assoana, and other organisms with data available. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate is a flavouring agent with hydrolysed vegetable-type aroma and flavour. Flavouring agent with hydrolysed vegetable-type aroma and flavour
2-Hydroxy-5-(trifluoromethoxy)benzoic Acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2-Thenoyltrifluoroacetone
D064449 - Sequestering Agents > D002614 - Chelating Agents
3,3'-Dichlorobiphenyl
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
N-Chlorothylnitrosourea sarcosinamide
D000970 - Antineoplastic Agents
N-(Tetrahydro-2-oxo-3-thienyl)-3-pyridinecarboxamide
p-Coumaroyl glycolic acid
P-coumaroyl glycolic acid is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. P-coumaroyl glycolic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). P-coumaroyl glycolic acid can be found in lentils, which makes P-coumaroyl glycolic acid a potential biomarker for the consumption of this food product.
Fraxinol
Fraxinol is a member of the class of compounds known as hydroxycoumarins. Hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Fraxinol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Fraxinol can be found in sour cherry, which makes fraxinol a potential biomarker for the consumption of this food product. Fraxinol is a natural product found in Elsholtzia bodinieri, Prunus prostrata, and other organisms with data available. Fraxinol is isolated from Lobelia chinensis[1]. Fraxinol is isolated from Lobelia chinensis[1].
6-Amino-4-(methylthio)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
(+-)-2c-Chlor-1-hydroxy-cyclohexan-dicarbonsaeure-(1r.2t)|(+-)-2c-chloro-1-hydroxy-cyclohexane-dicarboxylic acid-(1r.2t)
2,3,5,8-tetrahydroxy-1,4-naphthoquinone|2,3,5,8-Tetrahydroxy-[1,4]naphthochinon|2,3,5,8-tetrahydroxy-[1,4]naphthoquinone|2,3-Dihydroxy-naphthazarin|2,3-dihydroxynaphthazarin|spinazarin|spinazarine
2-Quinoxalinecarboxylic acid, 6-chloro-, methyl ester
acetazolamide
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EC - Carbonic anhydrase inhibitors D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2118; ORIGINAL_PRECURSOR_SCAN_NO 2116 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2116; ORIGINAL_PRECURSOR_SCAN_NO 2114 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2122; ORIGINAL_PRECURSOR_SCAN_NO 2121 INTERNAL_ID 366; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2122; ORIGINAL_PRECURSOR_SCAN_NO 2121 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2106; ORIGINAL_PRECURSOR_SCAN_NO 2104 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2172; ORIGINAL_PRECURSOR_SCAN_NO 2170 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2116; ORIGINAL_PRECURSOR_SCAN_NO 2112 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4436; ORIGINAL_PRECURSOR_SCAN_NO 4434 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4453; ORIGINAL_PRECURSOR_SCAN_NO 4450 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4473; ORIGINAL_PRECURSOR_SCAN_NO 4469 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4469; ORIGINAL_PRECURSOR_SCAN_NO 4466 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4488; ORIGINAL_PRECURSOR_SCAN_NO 4483 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4487; ORIGINAL_PRECURSOR_SCAN_NO 4484
1-(2-chloro-6-methylphenyl)-2,2,2-trifluoroethanone
METHYL 2-HYDROXY-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
1h-benzimidazole-5-carboxylic acid, 2,3-dihydro-2-thioxo-, ethyl ester
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate
2-Chloro-4-(1h-pyrazol-1-yl)benzenecarboxylic acid
2-CHLORO-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBALDEHYDE
2,2,2-Trifluoro-1-(3-fluoro-5-methoxyphenyl)ethanone
1-[2-(METHYLTHIO)-5-(TRIFLUOROMETHYL)PHENYL!HYDRAZINE, TECH
1,2-Benzisoxazole-3-carboxylicacid, 6-nitro-, methyl ester
6-(Chloromethyl)-2-(2-pyrazinyl)-4(3H)-pyrimidinone
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
1-ETHYL-3,5-DIMETHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE
methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
[3-hydroxy-5-(trifluoromethoxy)phenyl]boronic acid
ETHYL 2-(2-AMINO-1,3-THIAZOL-4-YL)ACETATE HYDROCHLORIDE
Methyl 4-chloro-3-hydroxy-5-methoxythiophene-2-carboxylate
ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate,hydrochloride
2-methoxy-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
7-Chloro-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
7-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
5-(2,2,2-Trifluoroacetamido)-1H-pyrazole-4-carboxamide
METHYL 4-(METHYLTHIO)-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLATE
4-Chloro-7-fluoro-6-hydroxy-3-quinolinecarbonitrile
METHYL 4-(METHYLTHIO)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
6-CHLORO-2-(TRIFLUOROMETHYL)- [1,2,4]TRIAZOLO[1,5-B]PYRIDAZINE
1,3-DIHYDRO-IMIDAZOL-2-ONE-5-(3-FLUORO) PHENYL-4-CARBOXYLIC ACID
2-CHLORO-3-METHYL-6-(PYRIMIDIN-4-YL)PYRIMIDIN-4(3H)-ONE
6,7-DIHYDRO-2H,5H,5H-SPIRO[1-BENZOTHIOPHENE-4,4-IMIDAZOLIDINE]-2,5-DIONE
5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione
5-Chloro-N-cyclopropyl-3-fluoropyridin-2-amine hydrochloride
7-Benzothiazolecarboxylicacid,2-amino-,ethylester(9CI)
7-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
O-[4-nitro-2-(trifluoromethyl)phenyl]hydroxylamine
5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-2-amine dihydrochloride
4-Hydroxy-1H-pyrrolo[2,3-b]pyridine-2,3-dicarboxylic acid
2,3-Dichlorobiphenyl
D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls
4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)BENZOYL CHLORIDE 97+
[1]Benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione,5,6,7,8-tetrahydro-
4a,7a-dihydrothieno[2,3-f][1]benzothiole-4,8-dione
6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
5-CHLORO-2-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[1,5-F]PYRIMIDINE
2-Methanesulfonic acid 5-chloropyrazinylmethylester
[2-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]amine hydrochloride
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-6-(trifluoromethyl)-
2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
Methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
n-(2-chloropyridin-3-yl)-1h-imidazole-5-carboxamide
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone
6-Chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
METHYL 7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLATE
2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)acetonitrile
4,6(1H,5H)-Pyrimidinedione,5-(2-furanylmethylene)dihydro-2-thioxo-
1-(4-chloro-3-methylphenyl)-2,2,2-trifluoroethanone
1-ISOPROPYL-3-METHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE
6-CHLORO-3-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Sarmustine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
1,1,1-Trifluoro-4-hydroxy-4-(2-thienyl)-3-buten-2-one
2-[(Z)-3-carboxy-3-oxoprop-1-enyl]-5-methyl-6-oxo-1H-pyridin-3-olate
(3R)-4-(2-aminophenyl)-3-hydroxy-2,4-dioxobutanoate
(2S,4R,5R,6S)-2,4,5-trihydroxyoxane-2,6-dicarboxylic acid
(2Z,4E)-2-hydroxy-6-oxo-6-sulfohexa-2,4-dienoic acid
Se-butyl pentaneselenoate
An organoselenium compound obtained by the formal condensation of butane-1-selenol with pentanoic acid.
1-(2-Thienyl)-3-hydroxy-4,4,4-trifluoro-2-butene-1-one
Tert-Butylbicyclophosphorothionate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
(5-Oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid
An organosulfonic acid that consists of 5-oxo-2-furylacetic acid bearing a sulfo group at position 2.
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate
A dioxo monocarboxylic acid anion that is the conjugate base of 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid resulting from the deprotonation of the carboxy group. Major species at pH 7.3.
