Exact Mass: 252.0422568
Exact Mass Matches: 252.0422568
Found 500 metabolites which its exact mass value is equals to given mass value 252.0422568,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thiacloprid
C10H9ClN4S (252.02364239999997)
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7159; ORIGINAL_PRECURSOR_SCAN_NO 7155 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7152; ORIGINAL_PRECURSOR_SCAN_NO 7150 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7161; ORIGINAL_PRECURSOR_SCAN_NO 7158 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7190; ORIGINAL_PRECURSOR_SCAN_NO 7188 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7200; ORIGINAL_PRECURSOR_SCAN_NO 7197 CONFIDENCE standard compound; INTERNAL_ID 52; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7197; ORIGINAL_PRECURSOR_SCAN_NO 7195 INTERNAL_ID 52; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7197; ORIGINAL_PRECURSOR_SCAN_NO 7195 CONFIDENCE standard compound; INTERNAL_ID 3024 CONFIDENCE standard compound; INTERNAL_ID 8424 CONFIDENCE standard compound; INTERNAL_ID 4044 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2954 EAWAG_UCHEM_ID 2954; CONFIDENCE standard compound
Deoxyinosine
C10H12N4O4 (252.08585119999998)
Deoxyinosine is a nucleoside that is formed when hypoxanthine is attached to a deoxyribose ring (also known as a ribofuranose) via a beta-N9-glycosidic bond. Deoxyinosine is found in DNA while inosine is found in RNA. Inosine is a nucleic acid important for RNA editing. Adenosine deaminase (ADA) catalyzes the conversion of adenosine and deoxyadenosine to inosine and deoxyinosine, respectively. ADA-deficient individuals suffer from severe combined immunodeficiency (SCID) and are unable to produce significant numbers of mature T or B lymphocytes. This occurs as a consequence of the accumulation of ADA substrates or their metabolites. Inosine is also an intermediate in a chain of purine nucleotides reactions required for muscle movements. Moreover, deoxyinosine is found to be associated with purine nucleoside phosphorylase (PNP) deficiency, which is an inborn error of metabolism. Isolated from Phaseolus vulgaris (kidney bean). 2-Deoxyinosine is found in pulses, yellow wax bean, and green bean. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency. 2’-deoxyadenosine inhibits the growth of human colon-carcinoma cell lines and is found to be associated with purine nucleoside phosphorylase (PNP) deficiency.
3,3'-Dichlorobenzidine
C12H10Cl2N2 (252.02210000000002)
CONFIDENCE standard compound; INTERNAL_ID 2424 CONFIDENCE standard compound; INTERNAL_ID 49 D009676 - Noxae > D002273 - Carcinogens
Nebularine
C10H12N4O4 (252.08585119999998)
Nebularine, also known as purine riboside is found in mushrooms. Nebularine can be isolated from the mushroom Clitocybe nebularis (clouded agaric). Nebularine is a nucleoside analog that is used in a variety of enzyme studies. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents KEIO_ID P081; [MS2] KO009216 KEIO_ID P081
7-methoxyisoflavone
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.174 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.177 7-Methoxyisoflavone is an isoflavone derivative and also an activator of adenosine monophosphate-activated protein kinase (AMPK).
4-O-Methylisoflavone
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 4.
5-Hydroxy-N-formylkynurenine
C11H12N2O5 (252.07461819999997)
5-Hydroxy-N-formylkynurenine is an intermediate in tryptophan metabolism. 5-Hydroxy-N-formylkynurenine is converted from 5-Hydroxy-L-tryptophan via the enzyme, indoleamine 2,3-dioxygenase [EC:1.13.11.52]. [HMDB] 5-Hydroxy-N-formylkynurenine is an intermediate in tryptophan metabolism. 5-Hydroxy-N-formylkynurenine is converted from 5-Hydroxy-L-tryptophan via the enzyme, indoleamine 2,3-dioxygenase [EC:1.13.11.52].
2-Hydroxy-6-oxo-6-(4-chlorophenyl)hexa-2,4-dienoic acid
C12H9ClO4 (252.01893439999998)
S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine
3-Methoxyflavone
The parent member of the class of 3-methoxyflavones that is flavone which carries a methoxy group at the 3-position.
5-Deoxyinosine
C10H12N4O4 (252.08585119999998)
A 5-deoxyribonucleoside in which hypoxanthine is attached to 5-deoxyribofuranose via a beta-N(9)-glycosidic bond.
Tretazicar
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent COVID info from PDB, Protein Data Bank D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid
2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid is found in cereals and cereal products. 2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid is a constituent of Eleusine coracana (finger millet). Constituent of Eleusine coracana (finger millet). 2-O-(E-p-Hydroxycinnamoyl)-(x)-glyceric acid is found in cereals and cereal products.
7-Hydroxy-2-methylisoflavone
7-Hydroxy-2-methylisoflavone is found in herbs and spices. 7-Hydroxy-2-methylisoflavone is isolated from roots of Glycyrrhiza glabra (licorice). Isolated from roots of Glycyrrhiza glabra (licorice). 7-Hydroxy-2-methylisoflavone is found in tea and herbs and spices.
Cysteinyl-Methionine
Cysteinyl-Methionine is a dipeptide composed of cysteine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Methionyl-Cysteine
Methionyl-Cysteine is a dipeptide composed of methionine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxyzileuton
Hydroxyzileuton is only found in individuals that have used or taken Zileuton. Hydroxyzileuton is a metabolite of Zileuton. Hydroxyzileuton belongs to the family of Benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).
Zileuton sulfoxide
Zileuton sulfoxide is only found in individuals that have used or taken Zileuton. Zileuton sulfoxide is a metabolite of Zileuton. Zileuton sulfoxide belongs to the family of Benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).
Anisindione
Anisindione is a synthetic anticoagulant and an indanedione derivative. It prevents the formation of active procoagulation factors II, VII, IX, and X, as well as the anticoagulant proteins C and S, in the liver by inhibiting the vitamin K-mediated gamma-carboxylation of precursor proteins. C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
Nigakinone
Nigakinone is an alkaloid from the wood of Picrasma excelsa (Jamaican quassiawood
N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine
C11H12N2O5 (252.07461819999997)
N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine is found in mushrooms. N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine is isolated from the mushroom Agaricus bisporus (button mushroom Isolated from the mushroom Agaricus bisporus (button mushroom). N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine is found in mushrooms.
Mono-(3-carboxypropyl) phthalate
Mono-(3-carboxypropyl) phthalate is also known as mono(3-carboxypropyl) phthalic acid. It is a non-specific metabolite of several phthalates, a metabolite of mono-n-butyl phthalate (MnBP), a secondary metabolite of di-n-butyl phthalate (DnBP), a metabolite of mono-n-octyl phthalate (MnOP), and a secondary metabolite of di-n-octyl phthalate (DnOP). It is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Mono(3-carboxypropyl) phthalate is considered to be slightly soluble (in water) and acidic. (ChemoSummarizer)
2-(Trifluoromethyl)benzhydrol
C14H11F3O (252.07619519999997)
3'-Deoxyinosine
C10H12N4O4 (252.08585119999998)
N-[1-(Hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide
C11H12N2O5 (252.07461819999997)
5-Ethynyl-2'-deoxyuridine
C11H12N2O5 (252.07461819999997)
Cndac
C10H12N4O4 (252.08585119999998)
6,7-Dinitro-1,4-dihydroquinoxaline-2,3-dione
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists DNQX (FG 9041), a quinoxaline derivative, is a selective, potent competitive non-NMDA glutamate receptor antagonist (IC50s = 0.5, 2 and 40 μM for AMPA, kainate and NMDA receptors, respectively)[1].
[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] 2-hydroxypropanoate
Thiacloprid
C10H9ClN4S (252.02364239999997)
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals
Thymine dimer
C10H12N4O4 (252.08585119999998)
Tretazicar
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent COVID info from PDB, Protein Data Bank D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-(3-Methylbutoxy)-4-oxo-2,2-bis(sulfanyl)butanoic acid
Tamarindienal
Tamarindienal is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Tamarindienal can be found in tamarind, which makes tamarindienal a potential biomarker for the consumption of this food product.
9,10-Dihydro-1-hydroxy-9,10-dioxo-2-anthracenecarboxaldehyde
7-Methoxyflavone
7-Methoxyflavone is a compound isolated from Zornia brasiliensis. 7-Methoxyflavone has peripheral antinociceptive activity. 7-Methoxyflavone inhibits paw-licking time in the neurogenic phase of the formalin pain response (65.6\%) and did not decrease the nociceptive response in the inflammatory phase[1].
2-[2-(2-Cyano-3-fluoroanilino)-2-oxoethoxy]acetic acid
C11H9FN2O4 (252.05463259999996)
2,4-dichloro-N-(pyridin-3-ylmethyl)aniline
C12H10Cl2N2 (252.02210000000002)
4,6-Bis(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
6-Methylflavonol
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.301 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.299
7-Hydroxy-3-methylflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.155 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.156
7-Hydroxy-6-methoxy-4-(methylthio)-5-methylcoumarin
C12H12O4S (252.04562719999998)
4-O-((1S)-1-carboxyethyl)-D-mannose|4-O-(1-Carboxyethyl)mannose|4-O-(1-carboxyethyl)-D-mannose|4-O-(1-carboxyethyl)mannose|4-O-<1-carboxyethyl>mannose
9-(Hydroxymethyl)-10-vinyl-3H-naphtho[2,1-b]pyran-3-one
2,7-dihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one|unifloranthrone
8-Hydroxy-9-methyl-10-vinyl-3H-naphtho[2,1-b]pyran-3-one
3,8-Dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid
7-Methyl-8-hydroxy-10-vinyl-3H-naphtho[2,1-b]pyran-3-one
1-(5-(5-Chloro-2-hydroxyphenyl)thiophen-2-yl)ethan-1-one
2-Bromo-N-methyltryptamine
C11H13BrN2 (252.02620380000002)
A natural product found in Paramuricea clavata.
(E)-4-methoxy-2-(3,4-dihydroxybenzylidene)-4-oxobutanoic acid|sissooic acid
6-bromo-N-methyltryptamine
C11H13BrN2 (252.02620380000002)
A natural product found in Paramuricea clavata.
3-((Xi)-Benzyliden)-6-methoxy-3H-benzofuran-2-on|3-Benzyliden-6-methoxy-cumaran-2-on|3-Benzylidene-6-methoxy-2(3H)-benzofuranone|3-benzylidene-6-methoxy-3H-benzofuran-2-one|6-methoxy-isoaurone|6-methoxyisoaurone
1-Methyl-4-(4-methoxyphenyl)-4-hydroxy-5-thioxoimidazolidin-2-one
1-hydroxy-3-ethyl-9,10-anthraquinone|3-Aethyl-1-hydroxy-anthrachinon|3-ethyl-1-hydroxy-anthraquinone|cordifoliol
Anthraquinone-2-carboxylic acid
Anthraquinone-2-carboxylic acid is a major anthraquinone isolated from Brazilian taheebo, with anti-inflammatory activity and antinociceptive[1]. Anthraquinone-2-carboxylic acid is a major anthraquinone isolated from Brazilian taheebo, with anti-inflammatory activity and antinociceptive[1].
2-(4-Hydroxyphenyl)-3-methylbenzofuran-5-carbaldehyde
A1-00200
7-Methoxyflavone is a member of flavonoids and an ether. 7-Methoxyflavone is a natural product found in Ziziphus mauritiana, Conchocarpus heterophyllus, and other organisms with data available. 7-Methoxyflavone is a compound isolated from Zornia brasiliensis. 7-Methoxyflavone has peripheral antinociceptive activity. 7-Methoxyflavone inhibits paw-licking time in the neurogenic phase of the formalin pain response (65.6\%) and did not decrease the nociceptive response in the inflammatory phase[1].
Oprea1_109952
3-Methoxyflavone is a flavonoid compound isolated from Artemisia incanescens with antiviral activity[1][2].
AQCA-9,10
Anthraquinone-2-carboxylic acid is a natural product found in Handroanthus impetiginosus with data available. Anthraquinone-2-carboxylic acid is a major anthraquinone isolated from Brazilian taheebo, with anti-inflammatory activity and antinociceptive[1]. Anthraquinone-2-carboxylic acid is a major anthraquinone isolated from Brazilian taheebo, with anti-inflammatory activity and antinociceptive[1].
2-Morpholinothiobenzothiazole
C11H12N2OS2 (252.03910219999997)
CONFIDENCE standard compound; INTERNAL_ID 2878 CONFIDENCE standard compound; INTERNAL_ID 8842
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3(2H)-one
2-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000847204]
5-methoxy-2-phenylchromen-4-one [IIN-based on: CCMSLIB00000847375]
5-methoxy-2-phenylchromen-4-one [IIN-based: Match]
2-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]
(E)-Thiacloprid
C10H9ClN4S (252.02364239999997)
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy-
2-carboxylic acid derivative of Oxamniquine
C11H12N2O5 (252.07461819999997)
gamma-L-Glutaminyl-3,4-benzoquinone
C11H12N2O5 (252.07461819999997)
2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid
4-(Chloromethyl)-5-methyl-2-(4-nitrophenyl)-1,3-oxazole
C11H9ClN2O3 (252.03016739999998)
2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
6-fluoro-2,3-dihydro-2H,5H-spiro[imidazolidine-4,4-thiochromene]-2,5-dione
C11H9FN2O2S (252.03687459999998)
2-CHLORO-5,7-DIMETHOXY-[1,4]NAPHTHOQUINONE
C12H9ClO4 (252.01893439999998)
6-Chloro-1,2-dihydro-2-oxospiro[4H-3,1-benzoxazin-4,4-piperidine]
C12H13ClN2O2 (252.06655080000002)
5-Chloro-3-phenyl-1H-indole-2-carbonitrile
C15H9ClN2 (252.04542239999998)
(4-Trifluoromethylbiphenyl-4-yl)methanol
C14H11F3O (252.07619519999997)
ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate
4-(4-amino-2-chlorophenyl)-3-chloroaniline
C12H10Cl2N2 (252.02210000000002)
3-amino-4-hydroxy-5-nitrobenzenesulfonic acid,hydrate
3-ALLYL-5,6-DIMETHYL-2-THIOXO-2,3-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE
C11H12N2OS2 (252.03910219999997)
4,4-Dichlorobenzhydrol
C13H10Cl2O (252.01086700000002)
A secondary alcohol that is diphenylmethanol which carries chloro groups at positions 4 and 4. It is a metabolite of the insecticide DDT.
Glycine,N-(4-nitrobenzoyl)-, ethyl ester
C11H12N2O5 (252.07461819999997)
1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
Ethyl 3-amino-4-methoxythieno[2,3-b]pyridine-2-carboxylate
6-chloro-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
C11H9ClN2OS (252.01240939999997)
2-(CHLOROMETHYL)-1H-PERIMIDINE HYDROCHLORIDE
C12H10Cl2N2 (252.02210000000002)
Methyl 2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
C11H9FN2O2S (252.03687459999998)
6-Bromo-4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one
C12H13BrO (252.01497080000001)
p-tolyl 2-(trimethylsilyl)ethynyl!
C12H16O2SSi (252.06402359999998)
(S)-3-AMINO-4-(PYRIDIN-4-YL)BUTANOIC ACID DIHYDROCHLORIDE
4-AMINO-5-(3,5-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-[(4-FLUOROBENZYL)OXY]-2-THIOPHENECARBOXYLIC ACID
C12H9FO3S (252.02564159999997)
DIMETHYL(N,N,N,N-TETRAMETHYLETHYLENEDIAMINE)PALLADIUM(II)
[tert-butyl(dimethyl)silyl] 2-bromoacetate
C8H17BrO2Si (252.01811220000002)
Benzenemethanol, a-phenyl-a-(trifluoromethyl)-
C14H11F3O (252.07619519999997)
3-(2-PHENYL-THIAZOL-4-YL)-PHENYLAMINE
C15H12N2S (252.07211519999998)
(S)-(+)-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride
C10H8ClF3O2 (252.01648939999998)
Ethyl 4-fluoro-7-nitro-1H-indole-2-carboxylate
C11H9FN2O4 (252.05463259999996)
1-(4-Chlorophenyl)-4-oxocyclohexanecarboxylic acid
1,2,3,4-Tetramethyl-1,2,3,4-cyclobutanetetracarboxylic Dianhydride
2-(4-FLUOROPHENYL)PIPERAZINE 2HCL
C10H15Cl2FN2 (252.05962619999997)
1-METHYL-4-(S-TRIFLUOROMETHYL-[1,3,4]THIODIAZOL-Z-YL)PIPERAZINE
C8H11F3N4S (252.06564819999997)
5-Amino-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-acetamide
C10H9FN4OS (252.04810759999995)
5-morpholino-2-nitrobenzenecarboxylic acid
C11H12N2O5 (252.07461819999997)
5-CHLORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C12H13ClN2O2 (252.06655080000002)
(4-TRIFLUOROMETHYLBIPHENYL-3-YL)METHANOL
C14H11F3O (252.07619519999997)
3-bromo-2-tert-butylimidazo[1,2-a]pyridine
C11H13BrN2 (252.02620380000002)
(3,4-DIMETHYLTHIENO[2,3-B]THIOPHEN-2-YL)METHANOL
C13H10Cl2O (252.01086700000002)
2-Methoxyethyl 2-aminobenzo[d]thiazole-6-carboxylate
1-Diazo-2-naphthol-4-sulfonic acid
C10H8N2O4S (252.02047679999998)
5-Amino-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-acetamide
C10H9FN4OS (252.04810759999995)
Hydrazine,1,2-bis(4-chlorophenyl)-
C12H10Cl2N2 (252.02210000000002)
4-(Diacetoxymethyl)phenylboronic acid
C11H13BO6 (252.08051480000003)
4-chloro-7-Methoxyquinazolin-6-yl acetate
C11H9ClN2O3 (252.03016739999998)
6,6-BIS(CHLOROMETHYL)-2,2-BIPYRIDINE
C12H10Cl2N2 (252.02210000000002)
Ethyl 2-(3-chloro-2-fluorophenyl)-2,2-difluoroacetate
C10H8ClF3O2 (252.01648939999998)
N-(4-CHLOROBENZO[D]THIAZOL-2-YL)CYCLOPROPANECARBOXAMIDE
C11H9ClN2OS (252.01240939999997)
4,6-DICHLORO-3-(4-ETHYLPHENYL)-PYRIDAZINE
C12H10Cl2N2 (252.02210000000002)
naproxen sodium
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
4-Amidinophenylmethanesulfonyl fluoride hydrochloride
(2,3,5,6-TETRAFLUORO-4-ISOPROPOXYPHENYL)BORONIC ACID
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(PHENYLMETHYL)-
1-(4-methoxy-2,5-dimethylbenzyl)hydrazine dihydrochloride
5-(4-chloro-2-methylphenyl)thiophene-2-carboxylic acid
1-(4-Bromo-1H-indol-3-yl)-N,N-dimethylmethanamine
C11H13BrN2 (252.02620380000002)
4,4-Bis(chloromethyl)-2,2-bipyridine
C12H10Cl2N2 (252.02210000000002)
(E)-6-BROMO-3-((2-METHYLHYDRAZONO)METHYL)IMIDAZO[1,2-A]PYRIDINE
3-(5-bromo-1H-indol-3-yl)propan-1-amine
C11H13BrN2 (252.02620380000002)
3-(4-DIMETHYLAMINO-PHENYL)-2-THIOXO-THIAZOLIDIN-4-ONE
C11H12N2OS2 (252.03910219999997)
4-[alpha-(4-Cyanophenyl)-chloromethyl]-benzonitrile
C15H9ClN2 (252.04542239999998)
ethyl 5-(3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate
C11H9ClN2O3 (252.03016739999998)
2-acetamido-3-(4-nitrophenyl)propanoic acid
C11H12N2O5 (252.07461819999997)
(R)-2-Acetamido-3-(4-nitrophenyl)propanoic acid
C11H12N2O5 (252.07461819999997)
(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(2,5-DIMETHOXY-PHENYL)-AMINE
5-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
C11H9ClN2OS (252.01240939999997)
3-(6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)PROPANOIC ACID
5,6-DIMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
C12H12O4S (252.04562719999998)
Ethyl 2-Amino-2-(2-pyridinyl)acetate Dihydrochloride
6-Bromo-1-isopropyl-2-methyl-1H-benzo[d]imidazole
C11H13BrN2 (252.02620380000002)
7-ACETOXY-4-CHLORO-6-METHOXYQUINAZOLINE
C11H9ClN2O3 (252.03016739999998)
5-(4-CHLORO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID
C12H9ClO4 (252.01893439999998)
4-AMINO-5-(3,4-DIMETHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
3-(6-chloro-4-oxochromen-3-yl)propanoic acid
C12H9ClO4 (252.01893439999998)
7-Acetamido-8-nitro-3,4-Dihydro-2H-1,5-benzodioxepine
C11H12N2O5 (252.07461819999997)
Methyl (6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)(oxo)acet ate
C11H9ClN2O3 (252.03016739999998)
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-2-(1,1-dimethylethyl)-
C11H13BrN2 (252.02620380000002)
3-ALLYL-7-CHLORO-2-MERCAPTO-3H-QUINAZOLIN-4-ONE
C11H9ClN2OS (252.01240939999997)
methyl (Z)-5-chloro-3-hydroxy-2-methylidene-5-phenylpent-4-enoate
5-(2-CHLORO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID
C12H9ClO4 (252.01893439999998)
5-((4-NITROPHENOXY)METHYL)-1,3,4-THIADIAZOL-2-AMINE
2-bromo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
C12H13BrO (252.01497080000001)
2-(4-methyl-2-oxochromen-7-yl)oxyacetyl chloride
C12H9ClO4 (252.01893439999998)
3-Chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1H)-pyridinone
C11H9ClN2O3 (252.03016739999998)
1-(3-chloropropyl)piperazine,hydrate,dihydrochloride
5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
C10H8N2O4S (252.02047679999998)
3-(4-CHLORO-PHENYL)-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
C11H9ClN2O3 (252.03016739999998)
Benzenemethanol, a-phenyl-4-(trifluoromethyl)-
C14H11F3O (252.07619519999997)
ethyl 3-(3-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
C11H9ClN2O3 (252.03016739999998)
(R)-3-AMINO-4-(PYRIDIN-4-YL)BUTANOIC ACID DIHYDROCHLORIDE
(S)-3-AMINO-4-(PYRIDIN-3-YL)BUTANOIC ACID DIHYDROCHLORIDE
1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID,4-CHLORO-, 1,1-DIMETHYLETHYL ESTER
C12H13ClN2O2 (252.06655080000002)
Ethyl 2-(chlorosulfonyl)-1-cyclohexene-1-carboxylate
Mono(3-carboxypropyl) Phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 4-hydroxybutyric acid.
Methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
C11H9FN2O2S (252.03687459999998)
Methyl 2-amino-5-(2-fluorophenyl)-1,3-thiazole-4-carboxylate
C11H9FN2O2S (252.03687459999998)
Ethyl 2-Amino-2-(4-pyridinyl)acetate Dihydrochloride
2-amino-5-(4-chlorophenyl)thiophene-3-carboxamide
C11H9ClN2OS (252.01240939999997)
ETHYL 6-CHLORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLATE
C11H9ClN2O3 (252.03016739999998)
N-(2,4-Difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
[2-methylsulfanyl-5-(trifluoromethoxy)phenyl]boronic acid
(S)-2-Amino-3-(3-aminophenyl)propanoic acid dihydrochloride
5-Bromo-1-(tert-butyl)-1H-benzo[d]imidazole
C11H13BrN2 (252.02620380000002)
(4-METHYL-6-TRIFLUOROMETHYL-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
C8H7F3N2O2S (252.01803180000002)
1-(4-Fluorophenyl)piperazinediium dichloride
C10H15Cl2FN2 (252.05962619999997)
6-Acetoxy-4-chloro-7-methoxyquinazoline
C11H9ClN2O3 (252.03016739999998)
Thieno[2,3-d]pyrimidine-6-carboxylicacid, 1,4-dihydro-2,5-dimethyl-4-oxo-, ethyl ester
2,4,6-Cycloheptatrien-1-one,2-hydroxy-3-(1-oxo-3-phenyl-2-propen-1-yl)-
CHLORO-ACETIC ACID 4-METHYL-2-OXO-2H-CHROMEN-7-YL ESTER
C12H9ClO4 (252.01893439999998)
1-(4-CHLOROPHENYL)-3-BUTEN-1-OL97
C12H13ClN2O2 (252.06655080000002)
4-(2-CHLORO-1,1,2-TRIFLUOROETHOXY)ACETOPHENONE
C10H8ClF3O2 (252.01648939999998)
6-Bromo-2-tert-butyl-imidazo[1,2-a]pyridine
C11H13BrN2 (252.02620380000002)
(R)-3-AMINO-4-(PYRIDIN-3-YL)BUTANOIC ACID DIHYDROCHLORIDE
N-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropionamide
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
C11H9ClN2O3 (252.03016739999998)
4-Morpholin-4-yl-2-nitrobenzoic acid
C11H12N2O5 (252.07461819999997)
1-chloro-4-[(4-fluorophenyl)sulfanylmethyl]benzene
C13H10ClFS (252.01757419999998)
1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic acid
5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol
C11H12N2O5 (252.07461819999997)
2-Chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone
C12H13ClN2O2 (252.06655080000002)
4-Chloro-1-ethyl-3-nitro-2-quinolinone
C11H9ClN2O3 (252.03016739999998)
(E)-3-(5-nitrothiophen-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
3-(2,4-Dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
C12H10Cl2N2 (252.02210000000002)
(2-Chlorophenyl)(4-chlorophenyl)methanol
C13H10Cl2O (252.01086700000002)
4-(Acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid
C11H12N2O5 (252.07461819999997)
(5r)-2-[(2-Fluorophenyl)amino]-5-(1-Methylethyl)-1,3-Thiazol-4(5h)-One
C12H13FN2OS (252.07325799999998)
(2z,4e)-3-Chloro-2-Hydroxy-6-Oxo-6-Phenylhexa-2,4-Dienoic Acid
C12H9ClO4 (252.01893439999998)
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)butan-1-imine
(R)-N-formyl-beta-hydroxy-L-kynurenine
C11H12N2O5 (252.07461819999997)
(2S,3R)-2-amino-4-(2-formamidophenyl)-3-hydroxy-4-oxobutanoic acid
C11H12N2O5 (252.07461819999997)
[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] propanoate
[(2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] 2-hydroxypropanoate
Caffeoylglycolic acid methyl ester
A cinnamate ester obtained by the condensation of trans-caffeic acid with methyl hydroxyacetate. It is isolated from the leaves of Parthenocissus tricuspidata and exhibits antioxidant activity.
5,7-Difluoro-6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
4-(2-chloro-6-fluorobenzyl)-1,3,5-trimethyl-1H-pyrazole
3-Oxo-2-phenyl-1,2-benzothiazole-6-carbonitrile
C14H8N2OS (252.03573179999998)
3-Oxo-2-phenyl-1,2-benzothiazole-5-carbonitrile
C14H8N2OS (252.03573179999998)
2-Cyclopropylimino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
C11H12N2OS2 (252.03910219999997)
6-(Carboxymethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(2E,4Z)-6-(4-chlorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
C12H9ClO4 (252.01893439999998)
5-(3-Carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylate
(5E)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
C11H12N2OS2 (252.03910219999997)
[4-(Hydroxyamino)-3-(4-nitrophenyl)-1,2-oxazol-5-yl]-oxidoazanium
(Z)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-hydroxyprop-2-enal
1,4-Benzenedicarboxylic acid, methyl trimethylsilyl ester
3,4-Methylenedioxyphenylacetic acid, trimethylsilyl ester
3,3-DICHLOROBENZIDINE
C12H10Cl2N2 (252.02210000000002)
D009676 - Noxae > D002273 - Carcinogens
DNQX
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists DNQX (FG 9041), a quinoxaline derivative, is a selective, potent competitive non-NMDA glutamate receptor antagonist (IC50s = 0.5, 2 and 40 μM for AMPA, kainate and NMDA receptors, respectively)[1].
5-Hydroxy-N-formylkynurenine
C11H12N2O5 (252.07461819999997)
A non-proteinogenic alpha-amino acid that is 5-hydroxykynurenine bearing an N-formyl substituent.
N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine
C11H12N2O5 (252.07461819999997)
N-acetyl-S-benzyl-L-cysteine(1-)
An S-substituted N-acetyl-L-cysteinate that is the conjugate base of N-acetyl-S-benzyl-L-cysteine resulting from the deprotonation of the carboxy group; major species at pH 7.3.
6-(2-chloro-1-hydroxy-2-phenylethyl)-5,6-dihydropyran-2-one
(2s)-2-[(3,4-dioxocyclohexa-1,5-dien-1-yl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid
C11H12N2O5 (252.07461819999997)
10-ethenyl-8-hydroxy-9-methylbenzo[f]chromen-3-one
(6r)-6-[(1r,2r)-2-chloro-1-hydroxy-2-phenylethyl]-5,6-dihydropyran-2-one
2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-4-oxobutanoic acid
2-amino-4-{5-hydroxy-2-[(hydroxymethylidene)amino]phenyl}-4-oxobutanoic acid
C11H12N2O5 (252.07461819999997)
2-hydroxy-3-methylanthraquinone; me ether
{"Ingredient_id": "HBIN005746","Ingredient_name": "2-hydroxy-3-methylanthraquinone; me ether","Alias": "NA","Ingredient_formula": "C16H12O3","Ingredient_Smile": "NA","Ingredient_weight": "252.26","OB_score": "NA","CAS_id": "17241-42-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8619","PubChem_id": "NA","DrugBank_id": "NA"}
8-chlorogoniodiol
{"Ingredient_id": "HBIN013688","Ingredient_name": "8-chlorogoniodiol","Alias": "NA","Ingredient_formula": "C13H13ClO3","Ingredient_Smile": "C1C=CC(=O)OC1C(C(C2=CC=CC=C2)Cl)O","Ingredient_weight": "252.69 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3555","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10988787","DrugBank_id": "NA"}
8-hydroxy-5,6,7-trimethoxycoumarin
{"Ingredient_id": "HBIN013764","Ingredient_name": "8-hydroxy-5,6,7-trimethoxycoumarin","Alias": "NA","Ingredient_formula": "C12H12O6","Ingredient_Smile": "COC1=C(C(=C(C2=C1C=CC(=O)O2)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-hydroxycanthin-6-one 3-n-oxide
{"Ingredient_id": "HBIN014119","Ingredient_name": "9-hydroxycanthin-6-one 3-n-oxide","Alias": "NA","Ingredient_formula": "C14H8N2O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9886","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2e)-2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-4-oxobutanoic acid
10-ethenyl-8-hydroxy-7-methylbenzo[f]chromen-3-one
4,6-dihydroxy-7-(hydroxymethyl)-3-(methoxymethyl)chromen-2-one
methyl (2e)-3-(3-formyl-4-methoxy-5-methyl-6-oxopyran-2-yl)prop-2-enoate
(1r)-4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-2-benzofuran-1-carboxylic acid
methyl (3r,4s)-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
(2r)-2-{[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}propanoic acid
methyl 7-hydroxy-3-(1-hydroxyethyl)-1-oxo-3h-2-benzofuran-4-carboxylate
3-bromo-5-hydroxy-4-methoxycyclohexane-1-carboxylic acid
(2r)-2-amino-3-{[(1z)-1-(hydroxyimino)-4-(methylsulfanyl)butyl]sulfanyl}propanoic acid
2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}propanoic acid
5,6,8-trihydroxy-3-(2-hydroxypropyl)isochromen-1-one
3-[(3r)-7,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoic acid
2-[(3,4-dioxocyclohexa-1,5-dien-1-yl)amino]-4-(c-hydroxycarbonimidoyl)butanoic acid
C11H12N2O5 (252.07461819999997)
6,8-dihydroxy-3-methoxy-3,7-dimethyl-2-benzopyran-1,4-dione
6,8-dihydroxy-3,4-bis(hydroxymethyl)-5-methylisochromen-1-one
(6r)-6-[(1s,2r)-2-chloro-1-hydroxy-2-phenylethyl]-5,6-dihydropyran-2-one
(2z)-2-(acetyloxy)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
methyl (3r)-7-hydroxy-3-[(1r)-1-hydroxyethyl]-1-oxo-3h-2-benzofuran-4-carboxylate
3,7-dimethoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carboxylic acid
methyl 3-(3-formyl-4-methoxy-5-methyl-6-oxopyran-2-yl)prop-2-enoate
3-[(2r)-2,3-dihydroxypropyl]-6,8-dihydroxyisochromen-1-one
3-(2,3-dihydroxypropyl)-6,8-dihydroxyisochromen-1-one
4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-2-benzofuran-1-carboxylic acid
methyl 4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
5,6,8-trihydroxy-3-[(2s)-2-hydroxypropyl]isochromen-1-one
4-(1,2-dihydroxyethyl)-8-hydroxy-6-methoxyisochromen-1-one
3-(7,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoic acid
2,5-dihydroxy-5-(4-methoxyphenyl)-3-methylimidazole-4-thione
(5s)-2,5-dihydroxy-5-(4-methoxyphenyl)-3-methylimidazole-4-thione
4-[(1r)-1,2-dihydroxyethyl]-8-hydroxy-6-methoxyisochromen-1-one
8-hydroxy-3,4-bis(hydroxymethyl)-6-methoxyisochromen-1-one
7-hydroxy-6-methoxy-5-methyl-4-(methylsulfanyl)chromen-2-one
C12H12O4S (252.04562719999998)