Exact Mass: 289.088493
Exact Mass Matches: 289.088493
Found 474 metabolites which its exact mass value is equals to given mass value 289.088493,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Benzoyl ecgonine
Benzoylecgonine is the major metabolite of cocaine. It is formed by hydrolysis of cocaine in the liver, catalysed by carboxylesterases. It is excreted in the urine of cocaine users after processing in the liver. [Wikipedia] CONFIDENCE standard compound; INTERNAL_ID 1590
Ophthalmic acid
Ophthalmic acid, also known as ophthalmate, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Ophthalmic acid is a very strong basic compound (based on its pKa). Ophthalmic acid is an L-glutamine derivative in which L-glutamine is substituted by a 1--1-oxobutan-2-yl at the terminal amino nitrogen atom. Ophthalmic acid is an analogue of glutathione isolated from crystalline lens. Ophthalmic acid is an analogue of glutathione isolated from crystalline lens. [HMDB]
N-Succinyl-2-amino-6-ketopimelate
N-Succinyl-2-amino-6-ketopimelate is an intermediate in lysine biosynthesis. It is the fourth to last step in the synthesis of lysine and is converted. from tetrahydrodipicolinate via the enzyme tetrahydrodipicolinate N-succinyltransferase (EC 2.3.1.117). It is then converted to N-succinyl-L,L-2,6-diaminopimelate via the enzyme Succinyldiaminopimelate transferase (EC 2.6.1.17). N-Succinyl-2-amino-6-ketopimelate is an intermediate in lysine biosynthesis. It is the fourth to last step in the synthesis of lysine and is converted
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin
2-Amino-4-oxo-6-(1,2,3-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin is a pterin derivative. Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring with Several tautomers; the pyrimidine ring has a carbonyl oxygen and an amino group. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring. Pterins were first discovered in the pigments of butterfly wings and perform many roles in coloration in the biological world. Pterins also function as cofactors in enzyme catalysis (Wikipedia). Some pterin derivatives (biopterin, 6-formylpterin, 6-carboxypterin) accumulate in the skin of patients affected by vitiligo, a depigmentation disorder, where the protection against UV radiation fails due to the lack of melanin. Pterins participate in biologically important photosensitization processes; for example, pterins act as sensitizers in photochemical reactions that induce DNA damage4,5 and are able to generate singlet molecular oxygen6 and other reactive oxygen species (PMID: 19199487). 2-Amino-4-oxo-6-(1,2,3-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin is a pterin derivative. Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring with Several tautomers; the pyrimidine ring has a carbonyl oxygen and an amino group. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring. Pterins were first discovered in the pigments of butterfly wings and perform many roles in coloration in the biological world. Pterins also function as cofactors in enzyme catalysis .
Acronycidine
A quinoline alkaloid that is furo[2,3-b]quinoline bearing four methoxy substituents at positions 4, 5, 7 and 8.
Balfourodine
Zephyranthine
UNII-YS0KM9EX5L
C14H11NO4S (289.04087660000005)
N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)methanesulfonamide
C14H11NO4S (289.04087660000005)
Tabtoxin
A monobactam phytotoxic dipeptide produced by Pseudomonas syringae, that causes wildfire disease in tobacco.
Nefopam hydrochloride
C17H20ClNO (289.12333400000006)
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
Chlophedianol
C17H20ClNO (289.12333400000006)
Chlophedianol is only found in individuals that have used or taken this drug. It is a centrally-acting cough suppressant available in Canada under the trade name Ulone. It is not available in the United States.Chlophedianol suppresses the cough reflex by a direct effect on the cough center in the medulla of the brain. R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
Chloropyramine
Chloropyramine is a first generation antihistamine drug approved in some Eastern European countries for the treatment of allergic conjunctivitis, allergic rhinitis, bronchial asthma, and other atopic (allergic) conditions. Related indications for clinical use include Quinckes edema, allergic reactions to insect bites, food and drug allergies, and anaphylactic shock. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Norcocaine
Norcocaine belongs to the family of Beta Amino Acids and Derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
(2R,5S)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
2-[(6-Aminopurin-9-yl)methoxy]ethyl dihydrogen phosphate
Adrafinil
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Minoxidil sulphate
C9H15N5O4S (289.08447100000006)
3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
Satranidazole
C8H11N5O5S (289.04808760000003)
p-coumaroyltriacetate
P-coumaroyltriacetate belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. P-coumaroyltriacetate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). P-coumaroyltriacetate can be found in a number of food items such as common thyme, cowpea, swiss chard, and groundcherry, which makes P-coumaroyltriacetate a potential biomarker for the consumption of these food products.
Z7N4S72301
Dihydrolycorine is a natural product found in Lycoris radiata, Pancratium maritimum, and Galanthus trojanus with data available. Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2]. Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2].
4-methoxy-1-methyl-8-(2-oxo-3-methylbutoxy)-2-quinolone
ADRAFINIL
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
ethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate
5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid
3-Benzo[b]furan-2-yl-2-(tert-butylsulfonyl)acrylonitrile
methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate
2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yliden)-2-[(3-pyridylmethyl)amino]acetonitrile
2-Methoxy-4,5-methylendioxyzimtsaeure-piperidid|2-methoxy-4,5-methylenedioxy-trans-cinnamoyl piperidide
4-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-6-yl)-piperidin-2-one|4-(5,7-Dihydroyxy-2-methyl-6-chromanyl)-2-piperidone
1-Methyl-4-hydroxy-7-methoxy-3-(2,3-epoxy-3-methylbutane-1-yl)-1H-quinoline-2-one
1-[1-Oxo-3(3,4-methylenedioxy-5-methoxyphenyl)-2Zpropenyl] piperidine|1-[1-oxo-3-(3,4-methylenedioxy-5-methoxyphenyl)-2Z-propenyl]piperidine
(1S,1R)-1-hydroxy-4-(6-deoxy-beta-D-gulopyranosyloxy)-2-cyclopentene-1-carboxamide
N-[2,5-Dioxo-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-3-yl]salicylamide
ophthalmic acid
A L-glutamine derivative that is L-glutamine substituted by a 1-[(carboxymethyl)amino]-1-oxobutan-2-yl at the terminal amino nitrogen atom. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; JCMUOFQHZLPHQP-BQBZGAKWSA-N_STSL_0170_Ophthalmic acid_0500fmol_180425_S2_LC02_MS02_88; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
6,8-dimethoxy-7-(3-methylbut-2-enyloxy)quinolin-2-ol|choisyaternatine
(+/-)-8-methoxyplatydesmine|(+/-)-O-methylbalfourodinium perchlorate|(??)-8-Methoxyplatydesmine|2,3-Dihydro-2-<1-hydroxy-isopropyl>-4.8-dimethoxy-furano<2,3-b>chinolin|2-(4,8-dimethoxy-2,3-dihydro-furo[2,3-b]quinolin-2-yl)-propan-2-ol
Isocarbophos
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one
Benzoylecgonine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2823
clofedanol
C17H20ClNO (289.12333400000006)
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
Dihydrolycorine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids, Lycorine alkaloids Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2]. Dihydrolycorine, isolated from Lycoris radiate Herb, is an inhibitor of protein synthesis in eukarytic cells by inhibiting the peptide bone formation step[1][2].
2-Amino-4-oxo-6-(1,2,3-Trihydroxypropyl)-diquinoid-7,8-dihydroxypterin
Clofedano
C17H20ClNO (289.12333400000006)
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
Chloropyramine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Pyrimido[1,2-a]benzimidazol-4-ol, 2-methyl-3-(phenylmethyl)- (9CI)
2-OXAZOLIDINONE, 3-(3-FLUOROPHENYL)-5-[[(METHYLSULFONYL)OXY]METHYL]-, (5R)-
2-amino-4-trifluoropyrimidine-5-boronic acid pinacol ester
1-(3-FLUOROPHENYL)-1-TOSYL]METHYLISOCYANIDE
C15H12FNO2S (289.05727440000004)
ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
3-[(FURAN-2-CARBONYL)-AMINO]-3-(4-METHOXY-PHENYL)-PROPIONIC ACID
5-chloro-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidine
(4-Formyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)bo ronic acid
Methyl (R)-3-aMinobutyrate p-toluenesulfonate salt
C12H19NO5S (289.09838840000003)
3,5-DINITROBENZOYL-N-(N-PROPYL)AMINE HYDROCHLORIDE
C10H12ClN3O5 (289.04654519999997)
Improsulfan
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
4-(6-CHLOROPYRIDINE-3-CARBONYL)BENZOIC ACID ETHYL ESTER
4-{[2-FLUORO-5-(METHYLSULFONYL)PHENYL]AMINO}-4-OXOBUTANOICACID
METHYL 4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYLMETHANESULFONAMIDO)]PYRIMIDINE-5-CARBOXYLATE
2-AMINO-4-(3-(BENZYLOXY)PHENYL)-1H-PYRROLE-3-CARBONITRILE
ETHYL 2-(4-ISOPROPYLPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
1-(2-FLUOROPHENYL)-1-TOSYL]METHYLISOCYANIDE
C15H12FNO2S (289.05727440000004)
(4-BENZOYLBENZYL)TRIMETHYLAMMONIUM CHLORIDE
C17H20ClNO (289.12333400000006)
N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide
A-TOSYL-(4-FLUOROBENZYL) ISOCYANIDE
C15H12FNO2S (289.05727440000004)
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)pyridine
1H-Indole,1-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-(9CI)
4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
1-(3-CHLORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
C13H17Cl2NO2 (289.06362820000004)
proguanil hydrochloride
C11H17Cl2N5 (289.08609420000005)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D007004 - Hypoglycemic Agents > D001645 - Biguanides D009676 - Noxae > D000963 - Antimetabolites
3-(1-oxo-4-p-tolylphthalazin-2(1h)-yl)propanenitrile
2-AMINO-4-(4-ISOPROPYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
4-(methylthio)-2-[(phenylsulfonyl)amino]butanoic acid
Methyl 3-(5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl)propanoate
Benzamide,N-[2-(chloroacetyl)phenyl]-4-hydroxy- (9CI)
METHYL 3-AMINO-5-[4-(TERT-BUTYL)PHENYL]THIOPHENE-2-CARBOXYLATE
4-CYCLOHEXYL-5-(2-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
ethyl 1-(5-methyl-2-nitrophenyl)-1H-imidazole-4-carboxylate
2-AMINO-5-CBZ-4,5,6,7-TETRAHYDRO-1,3-THIAZOLO[5,4-C]PYRIDINE
Benzyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate
5-AMINO-N-(2,3-DIHYDROXY-1-PROPYL)-ISOPHTHALAMIDE HYDROCHLORIDE
4-[(4-METHYLPHENYL)THIO]-3-NITROBENZOIC ACID
C14H11NO4S (289.04087660000005)
(-)-[(8,8-Dimethoxycamphoryl)sulfonyl]oxaziridine
C12H19NO5S (289.09838840000003)
3-(4-FLUOROPHENYL)-5-(FURAN-2-YL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE
C14H12FN3OS (289.06850740000004)
(S)-1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol
N-(3,4-dimethylphenyl)-N,4-dimethylbenzenesulfonamide
1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane
4-((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)ANILINE
2-AMINO-4-(4-ISOBUTYL-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
5-NITRO-2-P-TOLYLSULFANYL-BENZOIC ACID
C14H11NO4S (289.04087660000005)
Satranidazole
C8H11N5O5S (289.04808760000003)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
methyl 2-amino-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
5-TERT-BUTYL-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-3-CARBOXYLICACID
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
(3-Chloro-4-fluorophenyl)[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]methanone
N-(4-Chloro-3-cyano-6-ethoxy-7-quinolinyl)acetamide
Tazanolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer
[5-formyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate
(6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)methanamine hydrochloride
Benzyl 2-oxo-1-oxa-6-azaspiro[4.5]decane-6-carboxylate
1H-Benz[g]indole-3-carboxaldehyde,2-(4-fluorophenyl)-(9CI)
(5-(((Benzyloxy)carbonyl)amino)-2-fluorophenyl)boronic acid
C14H13BFNO4 (289.09216200000003)
4-chloro-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Nicoclonate
C16H16ClNO2 (289.08695059999997)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
5-chloro-2-methoxy-n-(2-phenylethyl)benzamide
C16H16ClNO2 (289.08695059999997)
3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
(4-((2-Chloro-4-methylphenyl)carbamoyl)phenyl)boronic acid
[3-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]boronic acid
2-(3-Hydroxy-2-quinolyl)-1,3-indandione
C18H11NO3 (289.07388960000003)
2-(4-amino-3-methoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
C10H9F6NO2 (289.05374459999996)
(R)-METHYL 3-ACETAMIDO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE
(4-((3-CHLORO-4-METHYLPHENYL)CARBAMOYL)PHENYL)BORONIC ACID
ETHYL4-(4,4-DIMETHYL-2,6-DIOXOPIPERIDIN-1-YL)BENZOATE
ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
3-Oxa-9-azatricyclo[3.3.1.02,4]non-7-yl tropate
dibenzyl n,n-dimethylphosphoramidite
C16H20NO2P (289.12315900000004)
1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone
5-(1-methylcyclopropyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
2-(3,4-DIMETHOXY-PHENYL)-4-FLUORO-BENZOTHIAZOLE
C15H12FNO2S (289.05727440000004)
(2-Chloro-pyridin-3-yl)-(4-MethylaMino-piperidin-1-yl)-Methanone hydrochloride
C12H17Cl2N3O (289.07486120000004)
6-[(benzyloxy)carbonyl]-6-azaspiro[2.5]octane-1-carboxylic acid
4-Desmethoxypropoxyl-4-chloro Rabeprazole Sulfide
C14H12ClN3S (289.04404220000004)
ethyl 4-[(4-chlorophenyl)methylamino]benzoate
C16H16ClNO2 (289.08695059999997)
METHYL 3-AMINO-5-(4-ISOBUTYLPHENYL)THIOPHENE-2-CARBOXYLATE
Methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate
(3-(((Benzyloxy)carbonyl)amino)-5-fluorophenyl)boronic acid
C14H13BFNO4 (289.09216200000003)
(3-((3-CHLORO-2-METHYLPHENYL)CARBAMOYL)PHENYL)BORONIC ACID
2-N-Boc-Amino-3-(4-tetrahydrothiopyranyl)propionic acid
Ethyl 4-acetoxy-3-formyl-1-methyl-1H-indole-6-carboxylate
(4-(((Benzyloxy)carbonyl)amino)-3-fluorophenyl)boronic acid
C14H13BFNO4 (289.09216200000003)
Methyl 1-(2-nitro-4-(trifluoromethyl)phenyl)cyclopropanecarboxylate
5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester
1-(diphenylmethyl)-3-methylazetidin-3-ol hydrochloride
C17H20ClNO (289.12333400000006)
Benzofuro(3,2-d)pyrimidin-4(3H)-one, 8-chloro-2-((2S)-2-pyrrolidinyl)-
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
(2S,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
N-(3-Hydroxy-1-oxocyclopent-2-en-2-yl)-3-(4-hydroxy-3-methoxyphenyl)propenamide
(1R)-6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
C16H16ClNO2 (289.08695059999997)
4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
3-(4-Methylphenyl)sulfonyl-1,3-benzoxazol-2-one
C14H11NO4S (289.04087660000005)
2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
2-[[Anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide
3-[(1-Methyl-5-tetrazolyl)thio]-1-phenylpyrrolidine-2,5-dione
2-[(1-Oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester
4,6-Dimethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile
3,4-Dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
6-Amino-2-methoxy-5-(phenylsulfonyl)nicotinonitrile
(R)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride
C17H20ClNO (289.12333400000006)
4-(7-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-(hydroxymethyl)phenyl)-
(S)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride
C17H20ClNO (289.12333400000006)
7-(2,5-Dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine
3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester is a member of the class of compounds known as phenylpyrazoles. Phenylpyrazoles are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester is practically insoluble (in water) and a moderately basic compound (based on its pKa). 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester can be found in a number of food items such as common wheat, yellow bell pepper, green bell pepper, and common grape, which makes 3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester a potential biomarker for the consumption of these food products.
3-(3,4,5-Timethoxyphenyl)propanoylpyrrole
A natural product found in Piper boehmeriaefolium.
(N(omega)-L-arginino)succinate(1-)
Conjugate base of (N(omega)-L-arginino)succinic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate
6-hydroxy-IAA-valine
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
N-[(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carbonyl]-L-threonine
(1S,14S,15S,16S)-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,14,15-triol
2-Hydroxy-5-[2-(4-nitrophenyl)hydrazinyl]benzoic acid
6-Chloro-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol
C16H16ClNO2 (289.08695059999997)
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
(2E)-2-[(5-methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide
C13H15N5OS (289.09972600000003)
3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
1,2,3,6-Tetrahydropyridine, 1-acetyl-4-[4-acetoxy-5-methoxyphenyl]-
1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-1-(3,4-dimethyl-phenyl)-ethanone
2-Chloro-5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid
(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide
2-[(2,5-Dimethoxyphenyl)sulfonyl-methylamino]acetic acid
N-(Carboxymethyl)-N,N,N-tris(carboxylatomethyl)ethylenediamine
2-[(4-Methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone
2-[[5-(3-Methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid
1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one
N-{[2-(4-chlorophenyl)acetyl]oxy}pyridine-2-carboximidamide
2-[2-(3,5-Dimethyl-1-pyrazolyl)ethyl]-4-thiophen-2-ylthiazole
2-(Methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
2-[Oxo-(2-phenylethylamino)methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
methyl (2E)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}hydrazinecarboxylate
(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid pentyl ester
N-(5-pyridin-2-ylthiophen-2-yl)morpholine-4-carboxamide
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
1-benzyl-3-[(E)-1-thiophen-2-ylethylideneamino]thiourea
5-[(E)-{[(4-methoxybenzyl)oxy]imino}methyl]-6-methylpyrimidine-2,4(1H,3H)-dione
[(3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxonium
Ethyl 5-amino-1-thieno[2,3-d]pyrimidin-4-ylpyrazole-4-carboxylate
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile
2,3,3a,4,5,7,12b,12c-Octahydro-1H,10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
(2R)-2-amino-3-[[5-(2-hydroperoxyethyl)-2,3-dihydroxyphenyl]thio]propanoic acid
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate
(6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate
2-[(1S)-1-ethyl-8-(hydroxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
3-(alpha-Hydroxy-4-nitrobenzyl)-2,5-dihydroxy-2,4,6-cycloheptatrien-1-one
Rel-(1R,5R,11R)-3-(4-nitrophenyl)-hydroxymethyl-6,7-dioxabicyclo(3.2.2)nona-3,8-dien-2-one
(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acid
N-(6-Oxo-6H-benzo(c)chromen-2-yl)methanesulfonamide
C14H11NO4S (289.04087660000005)
2-Amino-5-[[1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
(3R)-7,2-dihydroxy-4-methoxyisoflavanol 4-oxonium cation
An organic cation that is the conjugate acid of (3R)-7,2-dihydroxy-4-methoxyisoflavanol, obtained by selective protonation of the 4-hydroxy group.
Ecgonine benzoate
A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases.
fumisoquin C(1-)
A monocarboxylic acid anion that is the conjugate base of fumisoquin C, obtained from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
SKF 81297
C16H16ClNO2 (289.08695059999997)
SKF 81297 is a potent and selective dopamine D1 receptor agonist[1].
(1s,14s,15s,16r)-5-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraene-4,14,15-triol
5-(2h-1,3-benzodioxol-5-yl)-n-(2-hydroxy-2-methylpropyl)penta-2,4-dienamide
2-(4-oxo-1h-quinazolin-2-yl)-1h-indole-3-carbaldehyde
3,10,19-triazapentacyclo[10.7.1.0²,⁷.0⁹,²⁰.0¹³,¹⁸]icosa-1(19),2(7),9(20),11,13(18),14,16-heptaene-6,8-dione
(6s)-7-(3-hydroxypropyl)-10-imino-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid
3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one
3,10,19-triazapentacyclo[10.7.1.0²,⁷.0⁹,²⁰.0¹³,¹⁸]icosa-1(20),2(7),9,11,13(18),14,16-heptaene-6,8-dione
2-[(2s)-4,8-dimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl]propan-2-ol
(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl propanoate
(3z)-3-[(4-hydroxyphenyl)methylidene]-4h-cyclopenta[b]indole-1,2-dione
C18H11NO3 (289.07388960000003)
(4r)-4-[(5s)-3-methyl-2,9-dioxo-1-oxa-6-azaspiro[4.4]nona-3,7-dien-8-yl]cyclohex-1-ene-1-carboxylic acid
3-(methylsulfanyl)-n-(4-{[3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)prop-2-enimidic acid
3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxy-7-methoxy-1-methylquinolin-2-one
6-hydroxy-4-[(2s)-2-hydroxy-5,7-dimethyl-3-oxo-1-benzofuran-2-yl]-4,5-dihydro-3h-pyridin-2-one
{[3-methoxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-3-oxopropyl]sulfanyl}acetic acid
16-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one
C18H11NO3 (289.07388960000003)
3,4,5-trihydroxy-n-[2-(4-hydroxyphenyl)ethyl]benzenecarboximidic acid
2-hydroxy-n-[(1s,6r)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid
1-[1-oxo-3(3,4-methylenedioxy-5-methoxy-phenyl)-2zpropenyl] piperidine
{"Ingredient_id": "HBIN000486","Ingredient_name": "1-[1-oxo-3(3,4-methylenedioxy-5-methoxy-phenyl)-2zpropenyl] piperidine","Alias": "NA","Ingredient_formula": "C16H19NO4","Ingredient_Smile": "COC1=CC(=CC2=C1OCO2)C=CC(=O)N3CCCCC3","Ingredient_weight": "289.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT17039","TCMID_id": "16371","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11426270","DrugBank_id": "NA"}
4α-dehydroxycrinamabine
{"Ingredient_id": "HBIN010197","Ingredient_name": "4\u03b1-dehydroxycrinamabine","Alias": "NA","Ingredient_formula": "C16H19NO4","Ingredient_Smile": "C1CC2C3(CCN2CC4=CC5=C(C=C43)OCO5)C(C1O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4981","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(±)-8-methoxyplatydesmine
{"Ingredient_id": "HBIN013819","Ingredient_name": "(±)-8-methoxyplatydesmine","Alias": "NA","Ingredient_formula": "C16H19NO4","Ingredient_Smile": "CC(C)(C1CC2=C(C3=C(C(=CC=C3)OC)N=C2O1)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14065","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r)-3-hydroxy-9-methoxy-2,2,10-trimethyl-3h,4h-pyrano[2,3-b]quinolin-5-one
(2s)-2-amino-4-{[(1s)-1-(carboxymethyl-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}butanoic acid
(2z)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one
7-(3-hydroxypropyl)-10-imino-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid
(2s,9br)-9b-hydroxy-2-(2-hydroxypropan-2-yl)-4,8-dimethyl-1h,2h-furo[3,2-f]isoquinolin-5-one
2-[(4r)-4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-4-methoxynaphthalen-1-ol
n-{[4-methoxy-4'-methyl-5-(methylsulfanyl)-[2,2'-bipyridin]-6-yl]methylidene}hydroxylamine
5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol
6-hydroxy-4-(2-hydroxy-5,7-dimethyl-3-oxo-1-benzofuran-2-yl)-4,5-dihydro-3h-pyridin-2-one
n-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzenecarboximidic acid
(1r,2r,4s,5s,7s)-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2r)-3-hydroxy-2-phenylpropanoate
2-{4,8-dimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl}propan-2-ol
(1s,13s,16r,17s)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
8-hydroxy-3-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-4-methoxy-1-methylquinolin-2-one
(1s,13r,16s,17r)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
1,11-dihydroxy-4,9,10,10-tetramethyl-5-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-triene-8,13-dione
{[(2s)-3-methoxy-2-[(3r)-3-methyl-2,5-dioxopyrrolidin-1-yl]-3-oxopropyl]sulfanyl}acetic acid
1-[3-(3,4-dimethoxyphenyl)propanoyl]-5,6-dihydropyridin-2-one
(2s)-2-(2-hydroxypropan-2-yl)-8-methoxy-9-methyl-2h,3h-furo[2,3-b]quinolin-4-one
2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-4-methoxynaphthalen-1-ol
n-{[4-methoxy-6'-methyl-5-(methylsulfanyl)-[2,2'-bipyridin]-6-yl]methylidene}hydroxylamine
8-hydroxy-3-(3-hydroxy-3-methylbut-1-en-1-yl)-4-methoxy-1-methylquinolin-2-one
(1s,13r,16r,17s)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
(2e)-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one
3-(4-hydroxy-3-methoxyphenyl)-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)prop-2-enimidic acid
(6s)-7-(3-aminopropyl)-10,11-dioxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid
1-hydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclopent-2-ene-1-carboximidic acid
(3s)-3-hydroxy-9-methoxy-2,2,10-trimethyl-3h,4h-pyrano[2,3-b]quinolin-5-one
(1s,15r,17r,18s,19r)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol
3-[(4-hydroxyphenyl)methylidene]-4h-cyclopenta[b]indole-1,2-dione
C18H11NO3 (289.07388960000003)
(1r,9r,11r)-1,11-dihydroxy-4,9,10,10-tetramethyl-5-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-triene-8,13-dione
4-methoxy-1-methyl-8-(3-methyl-2-oxobutoxy)quinolin-2-one
3-(aminosulfanyl)-1-[(2r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
(1s,4r)-1-hydroxy-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclopent-2-ene-1-carboximidic acid
5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol
(3e)-3-[(4-hydroxyphenyl)methylidene]-4h-cyclopenta[b]indole-1,2-dione
C18H11NO3 (289.07388960000003)
