Exact Mass: 252.01893439999998
Exact Mass Matches: 252.01893439999998
Found 403 metabolites which its exact mass value is equals to given mass value 252.01893439999998,
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
3,3'-Dichlorobenzidine
C12H10Cl2N2 (252.02210000000002)
CONFIDENCE standard compound; INTERNAL_ID 2424 CONFIDENCE standard compound; INTERNAL_ID 49 D009676 - Noxae > D002273 - Carcinogens
2-Hydroxy-6-oxo-6-(4-chlorophenyl)hexa-2,4-dienoic acid
C12H9ClO4 (252.01893439999998)
S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine
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.
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).
Nigakinone
Nigakinone is an alkaloid from the wood of Picrasma excelsa (Jamaican quassiawood
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)
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].
Thiacloprid
C10H9ClN4S (252.02364239999997)
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals
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
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
7-Hydroxy-6-methoxy-4-(methylthio)-5-methylcoumarin
C12H12O4S (252.04562719999998)
2,7-dihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one|unifloranthrone
3,8-Dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid
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.
1-Methyl-4-(4-methoxyphenyl)-4-hydroxy-5-thioxoimidazolidin-2-one
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].
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
(E)-Thiacloprid
C10H9ClN4S (252.02364239999997)
2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy-
2-O-(Z-p-Hydroxycinnamoyl)-(x)-glyceric acid
4-(4-Bromophenyl)-3-methyl-1,2-oxazol-5-amine
C10H9BrN2O (251.98982039999999)
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)
5-AMINO-1-(2,4-DICHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate
4-(4-amino-2-chlorophenyl)-3-chloroaniline
C12H10Cl2N2 (252.02210000000002)
5-[2-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole
C10H9BrN2O (251.98982039999999)
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.
5-[3-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole
C10H9BrN2O (251.98982039999999)
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)
6-(4-BROMOPHENYL)-4 5-DIHYDRO-2H-PYRIDA&
C10H9BrN2O (251.98982039999999)
[tert-butyl(dimethyl)silyl] 2-bromoacetate
C8H17BrO2Si (252.01811220000002)
methyl 5-chlorosulfonyl-1-ethylpyrazole-3-carboxylate
Potassium trifluoro(4-(trifluoromethyl)phenyl)borate
(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
(4-bromo-2-pyrazol-1-yl-phenyl)methanol
C10H9BrN2O (251.98982039999999)
[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanol
C10H9BrN2O (251.98982039999999)
2-(4-FLUOROPHENYL)PIPERAZINE 2HCL
C10H15Cl2FN2 (252.05962619999997)
1-METHYL-4-ETHOXYCARBONYL PYRAZOLE-5-SULFONYL CHLORIDE
1-METHYL-4-(S-TRIFLUOROMETHYL-[1,3,4]THIODIAZOL-Z-YL)PIPERAZINE
C8H11F3N4S (252.06564819999997)
2-bromo-1-(1-methylbenzimidazol-2-yl)ethanone
C10H9BrN2O (251.98982039999999)
6-(Bromomethyl)-2-methyl-4(1H)-quinazolinone
C10H9BrN2O (251.98982039999999)
1-[2-(3-Bromophenyl)-1,3-oxazol-4-yl]methanamine
C10H9BrN2O (251.98982039999999)
5-Amino-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-acetamide
C10H9FN4OS (252.04810759999995)
5-CHLORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C12H13ClN2O2 (252.06655080000002)
3-(3-(BROMOMETHYL)PHENYL)-5-METHYL-1,2,4-OXADIAZOLE
C10H9BrN2O (251.98982039999999)
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-chloro-2-mercapto-6-(trifluoromethyl)benzimidazole
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)
5-(4-BROMOPHENYL)-2,4-DIHYDRO-2-METHYL-3H-PYRAZOL-3-ONE
C10H9BrN2O (251.98982039999999)
N-(4-CHLOROBENZO[D]THIAZOL-2-YL)CYCLOPROPANECARBOXAMIDE
C11H9ClN2OS (252.01240939999997)
4,6-DICHLORO-3-(4-ETHYLPHENYL)-PYRIDAZINE
C12H10Cl2N2 (252.02210000000002)
3-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-oxadiazole
C10H9BrN2O (251.98982039999999)
5-AMINO-1-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE4-CARBONITRILE
4-(bromomethyl)-1-methyl-2-(trifluoromethyl)benzene
4-Amidinophenylmethanesulfonyl fluoride hydrochloride
(2,3,5,6-TETRAFLUORO-4-ISOPROPOXYPHENYL)BORONIC ACID
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-[4-(bromomethyl)phenyl]-5-methyl-1,3,4-oxadiazole
C10H9BrN2O (251.98982039999999)
(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)
6-Chloro-4-(trifluoromethyl)benzo[d]thiazol-2-amine
7-ACETOXY-4-CHLORO-6-METHOXYQUINAZOLINE
C11H9ClN2O3 (252.03016739999998)
1-Methyl-2-phenethyltrichlorosilane2-Phenylpropyltrichlorosilane
C9H11Cl3Si (251.96955760000003)
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)
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
1-(5-bromo-3-methylindazol-1-yl)ethanone
C10H9BrN2O (251.98982039999999)
5-(2-CHLORO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID
C12H9ClO4 (252.01893439999998)
3-[4-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole
C10H9BrN2O (251.98982039999999)
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)
METHYL 4-(CHLOROSULFONYL)-2,5-DIMETHYL-3-FUROATE
C8H9ClO5S (251.98592140000002)
3-(4-CHLORO-PHENYL)-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
C11H9ClN2O3 (252.03016739999998)
ethyl 3-(3-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
C11H9ClN2O3 (252.03016739999998)
3-bromo-2-ethylpyrido[1,2-a]pyrimidin-4-one
C10H9BrN2O (251.98982039999999)
(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)
2-(3-Bromo-phenyl)-5-ethyl-[1,3,4]oxadiazole
C10H9BrN2O (251.98982039999999)
3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile
(3-(2-broMophenyl)-1H-pyrazol-5-yl)Methanol
C10H9BrN2O (251.98982039999999)
(3-(3-broMophenyl)-1H-pyrazol-5-yl)Methanol
C10H9BrN2O (251.98982039999999)
[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)
3-(2-Bromophenyl)-5-ethyl-1,2,4-oxadiazole
C10H9BrN2O (251.98982039999999)
3-(4-Bromophenyl)-5-ethyl-1,2,4-oxadiazole
C10H9BrN2O (251.98982039999999)
6-Acetoxy-4-chloro-7-methoxyquinazoline
C11H9ClN2O3 (252.03016739999998)
5-[4-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole
C10H9BrN2O (251.98982039999999)
Thieno[2,3-d]pyrimidine-6-carboxylicacid, 1,4-dihydro-2,5-dimethyl-4-oxo-, ethyl ester
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
1-[2-(2-Bromophenyl)-1,3-oxazol-4-yl]methanamine
C10H9BrN2O (251.98982039999999)
3-(3-Bromophenyl)-5-ethyl-1,2,4-oxadiazole
C10H9BrN2O (251.98982039999999)
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
C11H9ClN2O3 (252.03016739999998)
1-chloro-4-[(4-fluorophenyl)sulfanylmethyl]benzene
C13H10ClFS (252.01757419999998)
1-(2-Chlorophenyl)-4-oxocyclohexanecarboxylic acid
1-(4-bromophenyl)-4-methyl-1H-pyrazol-3-ol
C10H9BrN2O (251.98982039999999)
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
(2-Hydroxy-3-phosphonooxypropyl) dihydrogen phosphate
C3H10O9P2 (251.98000700000003)
3-(2,4-Dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
C12H10Cl2N2 (252.02210000000002)
(2-Chlorophenyl)(4-chlorophenyl)methanol
C13H10Cl2O (252.01086700000002)
(Phenyl-phosphono-methyl)-phosphonic acid
C7H10O6P2 (251.99526200000003)
(2z,4e)-3-Chloro-2-Hydroxy-6-Oxo-6-Phenylhexa-2,4-Dienoic Acid
C12H9ClO4 (252.01893439999998)
N-(Phosphonacetyl)-L-Aspartate
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)butan-1-imine
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.
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
3,3-DICHLOROBENZIDINE
C12H10Cl2N2 (252.02210000000002)
D009676 - Noxae > D002273 - Carcinogens
5,6-dichloro-2-(chloromethylidene)-6-methylocta-3,7-dienal
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].
6-(2-chloro-1-hydroxy-2-phenylethyl)-5,6-dihydropyran-2-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
(2e,3e,5r,6s)-5,6-dichloro-2-(chloromethylidene)-6-methylocta-3,7-dienal
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
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
(2z,3e,5r,6r)-5,6-dichloro-2-(chloromethylidene)-6-methylocta-3,7-dienal
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
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
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)