Exact Mass: 289.1209
Exact Mass Matches: 289.1209
Found 500 metabolites which its exact mass value is equals to given mass value 289.1209,
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
Imazethapyr
Imazethapyr is a widely used imidazolinone herbicide worldwide, and its potential adverse effects on non-target plants have raised concerns. Understanding the mechanisms of imazethapyr phytotoxicity is crucial for its agro-ecological risk assessment.
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
Tabtoxin
A monobactam phytotoxic dipeptide produced by Pseudomonas syringae, that causes wildfire disease in tobacco.
Nefopam hydrochloride
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
Aspartyl-Arginine
Aspartyl-Arginine is a dipeptide composed of aspartate and arginine. 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.
Arginylaspartic acid
Arginylaspartic acid is a dipeptide composed of arginine and aspartic acid. 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.
3-Methylglutarylcarnitine
3-Methylglutarylcarnitine is an acylcarnitine. More specifically, it is an methylglutaric acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Methylglutarylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-methylglutarylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. In particular 3-methylglutarylcarnitine is elevated in the blood or plasma of individuals with psoriasis (PMID: 33391503), CVD (PMID: 32376321), Norman-Roberts syndrome (PMID: 15083694), type 2 diabetes Mellitus (PMID: 20111019, PMID: 19369366, PMID: 29436377), carnitine palmitoyl-trasferase 2 deficiency (PMID: 9657346), Familial Mediterranean Fever (PMID: 29900937), multiple acyl coenzyme A dehydrogenase Deficiency (PMID: 30510944), CVD in type 2 diabetes Mellitus (PMID: 32431666), and gestational diabetes mellitus (PMID: 29436377). It is also decreased in the blood or plasma of individuals with Celiac disease (PMID: 16425363). 3-Methylglutarylcarnitine is elevated in the urine of individuals with medium-chain acyl-CoA dehydrogenase deficiency (PMID: 1635814, PMID: 2246856). 3-Methylglutarylcarnitine is a diagnostic metabolite of 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency. It is also identified in the urine of patients with Reye-like syndrome (PMID: 3958190 , 10927963 ). Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. 3-Methylglutarylcarnitine is a diagnostic metabolite of 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency. It is also identified in the urine of patients with Reye like syndrome. (PMID 3958190; 10927963) [HMDB] 3-Methylglutarylcarnitine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=102673-95-0 (retrieved 2024-07-10) (CAS RN: 102673-95-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Chlophedianol
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.
Hydroxylated N-acetyl desmethyl frovatriptan
Hydroxylated N-acetyl desmethyl frovatriptan is a metabolite of frovatriptan. Frovatriptan (trade name Frova) is a triptan drug developed by Vernalis for the treatment of migraine headaches and for short term prevention of menstrual migraine. The product is licensed to Endo Pharmaceuticals in North America and Menarini in Europe. (Wikipedia)
4-Ethoxy-4-oxobutanoylcarnitine
4-Ethoxy-4-oxobutanoylcarnitine is an acylcarnitine. More specifically, it is an 4-ethoxy-4-oxobutanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Ethoxy-4-oxobutanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Ethoxy-4-oxobutanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2R,5S)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine
Etazolate
3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
Piperidine, 4-(1a,10b-dihydro-6H-dibenzo(3,4:6,7)cyclohept(1,2-b)oxiren-6-ylidene)-
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
ethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate
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-PIPERAZINE - 4- AMINO - 6,7 DIMETHOXYQUINAZOLINE
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 62
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
4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-Me glycoside, N,2-di-Ac
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
(E)-N-(1-naphthylmethyl)-3-(4-hydroxyphenyl)-2-propen-1-amine
(-)-normalindine|(5S-trans)-5,7,8,13,13b,14-hexahydro-5-methylindolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridine|normalindine
1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one
Benzoylecgonine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2823
clofedanol
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
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
Arg-Asp
A dipeptide formed from L-arginyl and L-aspartic acid residues.
Asp-arg
A dipeptide composed of L-aspartic acid and L-arginine joined by a peptide linkage.
Pyrimido[1,2-a]benzimidazol-4-ol, 2-methyl-3-(phenylmethyl)- (9CI)
Pyrido[2,3-b][1,6]naphthyridine, 6,7,8,9-tetrahydro-7-(2-phenylethyl)- (9CI)
2-amino-4-trifluoropyrimidine-5-boronic acid pinacol ester
(4-cyano-3-fluorophenyl) 4-propylcyclohexane-1-carboxylate
ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
3-[(FURAN-2-CARBONYL)-AMINO]-3-(4-METHOXY-PHENYL)-PROPIONIC ACID
(4-Formyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)bo ronic acid
Methyl (R)-3-aMinobutyrate p-toluenesulfonate salt
1-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YLMETHYL]-1H-INDOLE-2,3-DIONE
dimethyl-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]silicon
METHYL 4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYLMETHANESULFONAMIDO)]PYRIMIDINE-5-CARBOXYLATE
Acetamide,N-[3-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]-
2-AMINO-4-(3-(BENZYLOXY)PHENYL)-1H-PYRROLE-3-CARBONITRILE
ETHYL 2-(4-ISOPROPYLPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
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
proguanil hydrochloride
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
[2-(3,4-dimethoxy-phenyl)-ethyl]-(2-fluoro-benzyl)-amine
ethyl N-(ethoxycarbonyl)-N-(3-ethoxy-3-oxopropyl)-beta-alaninate
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
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-TERT-BUTYL-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-3-CARBOXYLICACID
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
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
Nicoclonate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
(R)-METHYL 3-ACETAMIDO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE
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
3-(4-CYANOPHENYL)-1-(4-ISOBUTYLPHENYL)PROP-2-EN-1-ONE
2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]azanium
5-(1-methylcyclopropyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
6-[(benzyloxy)carbonyl]-6-azaspiro[2.5]octane-1-carboxylic acid
4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
METHYL 3-AMINO-5-(4-ISOBUTYLPHENYL)THIOPHENE-2-CARBOXYLATE
(3-(((Benzyloxy)carbonyl)amino)-5-fluorophenyl)boronic acid
2-(5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile
2-N-Boc-Amino-3-(4-tetrahydrothiopyranyl)propionic acid
Ethyl 4-acetoxy-3-formyl-1-methyl-1H-indole-6-carboxylate
4-(5,5-dimethyl-1,3-dioxan-2-yl)piperidine oxalate
etazolate
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(4-(((Benzyloxy)carbonyl)amino)-3-fluorophenyl)boronic acid
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
(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
4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
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
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
(R)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride
4-(7-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
(S)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride
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.
(3R)-3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate
(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
(2S)-2-{[(3S)-3-azaniumyl-3-carboxylatopropanoyl]amino}-5-{[azaniumyl(imino)methyl]amino}pentanoate
(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
6-Chloro-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
(2E)-2-[(5-methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide
3-[(4-Carboxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
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
(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
Leu-Ala-Ser
A tripeptide composed of L-leucine, L-alanine and L-serine joined in sequence by peptide linkages.
2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide
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
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
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
O-3-methylglutaryl-L-carnitine
An O-acyl-L-carnitine that is L-carnitine having a 3-methylglutaryl group as the acyl substituent
(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
3-(2-aminoethyl)-1H-indol-6-ol;2-amino-3-methyl-4H-imidazol-5-one
3-(2-aminoethyl)-1H-indol-4-ol;2-amino-3-methyl-4H-imidazol-5-one
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
(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acid
O-adipoylcarnitine
An O-acylcarnitine compound having adipoyl as the acyl substituent.
6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide
O-3-Methylglutarylcarnitine
An O-methylglutarylcarnitine compound having 3-methylglutaryl as the acyl substituent.
2-Amino-5-[[1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
O-methylglutarylcarnitine
An O-acylcarnitine in which the acyl group specified is methylglutaryl.
(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.
O-Adipoyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group specified is adipoyl.
(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
(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
3,4,5-trihydroxy-n-[2-(4-hydroxyphenyl)ethyl]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"}
