Exact Mass: 289.103806

Exact Mass Matches: 289.103806

Found 500 metabolites which its exact mass value is equals to given mass value 289.103806, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Benzoyl ecgonine

(1R,2R,3S,5S)-8-Methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C16H19NO4 (289.1314014)


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

5-ethyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid

C15H19N3O3 (289.1426344)


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

(2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}butanoic acid

C11H19N3O6 (289.1273794)


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

(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acid

C11H15NO8 (289.079763)


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-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-3,4,5,6,7,8-hexahydropteridin-4-one

C9H15N5O6 (289.102229)


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 .

   

Dianthramine

2-[(2-carboxy-5-hydroxy-phenyl)amino]-4-hydroxy-benzoic acid

C14H11NO6 (289.0586346)


   

Acronycidine

Furo(2,3-b)quinoline, 4,5,7,8-tetramethoxy-

C15H15NO5 (289.095018)


A quinoline alkaloid that is furo[2,3-b]quinoline bearing four methoxy substituents at positions 4, 5, 7 and 8.

   

Balfourodine

Furo(2,3-b)quinolin-4(9H)-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-8-methoxy-9-methyl-

C16H19NO4 (289.1314014)


   

PMEG

9-((2-Phosphonylmethoxy)ethyl)guanine

C8H12N5O5P (289.0576032)


   

Zephyranthine

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

C16H19NO4 (289.1314014)


   

Pseudolycorine

3,12-Didehydro-9-methoxygalanthan-1alpha,2beta,10-triol

C16H19NO4 (289.1314014)


   

L-Asp(4-L-Arg)

L-beta-aspartyl-L-arginine

C10H19N5O5 (289.1386124)


   

Tabtoxin

Tabtoxin

C11H19N3O6 (289.1273794)


A monobactam phytotoxic dipeptide produced by Pseudomonas syringae, that causes wildfire disease in tobacco.

   

Isotabtoxin

Isotabtoxin; delta-Tabtoxin

C11H19N3O6 (289.1273794)


   

Nefopam hydrochloride

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

   
   

N-Succinyl-2-amino-6-oxopimelate

N-Succinyl-2-amino-6-oxopimelate

C11H15NO8 (289.079763)


   

Aspartyl-Arginine

2-[(2-amino-3-carboxy-1-hydroxypropylidene)amino]-5-carbamimidamidopentanoic acid

C10H19N5O5 (289.1386124)


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

(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]butanedioic acid

C10H19N5O5 (289.1386124)


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

(3R)-3-{[(3R)-4-carboxy-3-methylbutanoyl]oxy}-4-(trimethylazaniumyl)butanoic acid

C13H23NO6 (289.1525298)


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

1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone

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

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine

C16H20ClN3 (289.134567)


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

2-Methyl 3-phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylic acid

C16H19NO4 (289.1314014)


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

6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide

C15H19N3O3 (289.1426344)


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

3-[(4-ethoxy-4-oxobutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H23NO6 (289.1525298)


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

(2R,5S)-3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C16H19NO4 (289.1314014)


   

2-[(6-Aminopurin-9-yl)methoxy]ethyl dihydrogen phosphate

2-[(6-Aminopurin-9-yl)methoxy]ethyl dihydrogen phosphoric acid

C8H12N5O5P (289.0576032)


   

Adrafinil

N-Hydroxy2-diphenylmethanesulphinylethanimidic acid

C15H15NO3S (289.07726)


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

   

Nor-cocaine

Methyl 3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate, (1R,2R,3S,5S)-

C16H19NO4 (289.1314014)


   

Minoxidil sulphate

2,6-diamino-4-(piperidin-1-yl)-1-(sulfooxy)pyrimidin-1-ium

C9H15N5O4S (289.08447100000006)


   

Modafinil Sulfone

2-Diphenylmethanesulphonylethanimidic acid

C15H15NO3S (289.07726)


   

norscopolamine

3-Oxa-9-azatricyclo[3.3.1.0,]nonan-7-yl 3-hydroxy-2-phenylpropanoic acid

C16H19NO4 (289.1314014)


   

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

C14H15N3O4 (289.106251)


   

Piperidine, 4-(1a,10b-dihydro-6H-dibenzo(3,4:6,7)cyclohept(1,2-b)oxiren-6-ylidene)-

4-{3-oxatetracyclo[10.4.0.0^{2,4}.0^{5,10}]hexadeca-1(16),5,7,9,12,14-hexaen-11-ylidene}piperidine

C20H19NO (289.14665640000004)


   

p-coumaroyltriacetate

4-(8-Carboxy-3,5,7-trioxooct-1-en-1-yl)benzen-1-olic acid

C15H13O6 (289.0712098)


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.

   

Caryophyllen-beta

3-[(5-Carboxypentanoyl)oxy]-4-(trimethylammonio)butanoic acid

C13H23NO6 (289.1525298)


   

Z7N4S72301

1H-(1,3)DIOXOLO(4,5-J)PYRROLO(3,2,1-DE)PHENANTHRIDINE-1,2-DIOL, 2,3,3A,4,5,7,12B,12C-OCTAHYDRO-, (1S,2S,3AR,12BS,12CR)-

C16H19NO4 (289.1314014)


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].

   

4a-Dehydroxycrinamabine

4a-Dehydroxycrinamabine

C16H19NO4 (289.1314014)


   
   
   
   

4-methoxy-1-methyl-8-(2-oxo-3-methylbutoxy)-2-quinolone

4-methoxy-1-methyl-8-(2-oxo-3-methylbutoxy)-2-quinolone

C16H19NO4 (289.1314014)


   

Halfordinine

6,7,8-Trimethoxydictamnine

C15H15NO5 (289.095018)


   
   
   

3-Demethoxypiplartine

3-Demethoxypiplartine

C16H19NO4 (289.1314014)


   
   

Renierol propionate

Renierol propionate

C15H15NO5 (289.095018)


   

N-(3,4-Dihydroxybenzoyl)-3,4-dihydroxybenzamide

N-(3,4-Dihydroxybenzoyl)-3,4-dihydroxybenzamide

C14H11NO6 (289.0586346)


   
   

ADRAFINIL

ADRAFINIL

C15H15NO3S (289.07726)


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

ethyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate

C15H15NO5 (289.095018)


   

5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid

C12H10F3NO4 (289.0561896)


   
   
   

3-Benzo[b]furan-2-yl-2-(tert-butylsulfonyl)acrylonitrile

3-Benzo[b]furan-2-yl-2-(tert-butylsulfonyl)acrylonitrile

C15H15NO3S (289.07726)


   

methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate

methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate

C15H15NO5 (289.095018)


   

2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yliden)-2-[(3-pyridylmethyl)amino]acetonitrile

2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yliden)-2-[(3-pyridylmethyl)amino]acetonitrile

C17H11N3O2 (289.0851226)


   

ANABASAMINE HYDROCHLORIDE

ANABASAMINE HYDROCHLORIDE

C16H20ClN3 (289.134567)


   
   
   

2-Methoxy-4,5-methylendioxyzimtsaeure-piperidid|2-methoxy-4,5-methylenedioxy-trans-cinnamoyl piperidide

2-Methoxy-4,5-methylendioxyzimtsaeure-piperidid|2-methoxy-4,5-methylenedioxy-trans-cinnamoyl piperidide

C16H19NO4 (289.1314014)


   
   
   

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

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

C15H15NO5 (289.095018)


   
   

1-Methyl-4-hydroxy-7-methoxy-3-(2,3-epoxy-3-methylbutane-1-yl)-1H-quinoline-2-one

1-Methyl-4-hydroxy-7-methoxy-3-(2,3-epoxy-3-methylbutane-1-yl)-1H-quinoline-2-one

C16H19NO4 (289.1314014)


   

1-[1-Oxo-3(3,4-methylenedioxy-5-methoxyphenyl)-2Zpropenyl] piperidine|1-[1-oxo-3-(3,4-methylenedioxy-5-methoxyphenyl)-2Z-propenyl]piperidine

1-[1-Oxo-3(3,4-methylenedioxy-5-methoxyphenyl)-2Zpropenyl] piperidine|1-[1-oxo-3-(3,4-methylenedioxy-5-methoxyphenyl)-2Z-propenyl]piperidine

C16H19NO4 (289.1314014)


   
   
   

(1S,1R)-1-hydroxy-4-(6-deoxy-beta-D-gulopyranosyloxy)-2-cyclopentene-1-carboxamide

(1S,1R)-1-hydroxy-4-(6-deoxy-beta-D-gulopyranosyloxy)-2-cyclopentene-1-carboxamide

C12H19NO7 (289.1161464)


   

N-[2,5-Dioxo-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-3-yl]salicylamide

N-[2,5-Dioxo-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-3-yl]salicylamide

C14H11NO6 (289.0586346)


   
   
   

4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-Me glycoside, N,2-di-Ac

4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-Me glycoside, N,2-di-Ac

C13H23NO6 (289.1525298)


   
   
   

ophthalmic acid

L-gamma-Glutamyl-L-alpha-aminobutyrylglycine

C11H19N3O6 (289.1273794)


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.

   
   
   
   
   

anthracophyllic acid

anthracophyllic acid

C15H15NO5 (289.095018)


   

3-Hydroxy-thyronin

3-Hydroxy-thyronin

C15H15NO5 (289.095018)


   

6,8-dimethoxy-7-(3-methylbut-2-enyloxy)quinolin-2-ol|choisyaternatine

6,8-dimethoxy-7-(3-methylbut-2-enyloxy)quinolin-2-ol|choisyaternatine

C16H19NO4 (289.1314014)


   

Hydroxydianthramide R

Hydroxydianthramide R

C14H11NO6 (289.0586346)


   
   
   
   
   
   

(+/-)-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

(+/-)-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

C16H19NO4 (289.1314014)


   

Anhydroaspergillomarasmine A

Anhydroaspergillomarasmine A

C10H15N3O7 (289.090996)


   
   

(E)-N-(1-naphthylmethyl)-3-(4-hydroxyphenyl)-2-propen-1-amine

(E)-N-(1-naphthylmethyl)-3-(4-hydroxyphenyl)-2-propen-1-amine

C20H19NO (289.14665640000004)


   
   
   
   
   
   
   
   
   
   

1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one

1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one

C16H19NO4 (289.1314014)


   

Benzoylecgonine

(3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

C16H19NO4 (289.1314014)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 2823

   
   
   

clofedanol

Chlophedianol

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

   

Modafinil Sulfone

Modafinil Sulfone

C15H15NO3S (289.07726)


   

Dihydrolycorine

Dihydrolycorine

C16H19NO4 (289.1314014)


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].

   

Adipoyl-carnitine; AIF; CE0; CorrDec

Adipoyl-carnitine; AIF; CE0; CorrDec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE10; CorrDec

Adipoyl-carnitine; AIF; CE10; CorrDec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE30; CorrDec

Adipoyl-carnitine; AIF; CE30; CorrDec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE0; MS2Dec

Adipoyl-carnitine; AIF; CE0; MS2Dec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE10; MS2Dec

Adipoyl-carnitine; AIF; CE10; MS2Dec

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; AIF; CE30; MS2Dec

Adipoyl-carnitine; AIF; CE30; MS2Dec

C13H23NO6 (289.1525298)


   

Ophthalmic acid; AIF; CE0; CorrDec

Ophthalmic acid; AIF; CE0; CorrDec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE10; CorrDec

Ophthalmic acid; AIF; CE10; CorrDec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE30; CorrDec

Ophthalmic acid; AIF; CE30; CorrDec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE0; MS2Dec

Ophthalmic acid; AIF; CE0; MS2Dec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE10; MS2Dec

Ophthalmic acid; AIF; CE10; MS2Dec

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; AIF; CE30; MS2Dec

Ophthalmic acid; AIF; CE30; MS2Dec

C11H19N3O6 (289.1273794)


   

Adipoyl-carnitine; LC-tDDA; CE10

Adipoyl-carnitine; LC-tDDA; CE10

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; LC-tDDA; CE20

Adipoyl-carnitine; LC-tDDA; CE20

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; LC-tDDA; CE30

Adipoyl-carnitine; LC-tDDA; CE30

C13H23NO6 (289.1525298)


   

Adipoyl-carnitine; LC-tDDA; CE40

Adipoyl-carnitine; LC-tDDA; CE40

C13H23NO6 (289.1525298)


   

Ophthalmic acid; LC-tDDA; CE10

Ophthalmic acid; LC-tDDA; CE10

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; LC-tDDA; CE20

Ophthalmic acid; LC-tDDA; CE20

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; LC-tDDA; CE30

Ophthalmic acid; LC-tDDA; CE30

C11H19N3O6 (289.1273794)


   

Ophthalmic acid; LC-tDDA; CE40

Ophthalmic acid; LC-tDDA; CE40

C11H19N3O6 (289.1273794)


   
   

7,8-Dihydro-14-hydroxynormorphine

7,8-Dihydro-14-hydroxynormorphine

C16H19NO4 (289.1314014)


   
   
   
   
   
   
   
   

Desmethylflumazenil (Ro 15-5528)

Desmethylflumazenil (Ro 15-5528)

C14H12FN3O3 (289.0862654)


   

GW 610

2-(3,4-dimethoxyphenyl)-5-fluoro-benzothiazole

C15H12FNO2S (289.05727440000004)


   

3-Methylglutarylcarnitine

3-Methylglutarylcarnitine

C13H23NO6 (289.1525298)


   

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

C9H15N5O6 (289.102229)


   

Clofedano

1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol

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

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine

C16H20ClN3 (289.134567)


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

2-(2-amino-3-carboxypropanamido)-5-carbamimidamidopentanoic acid

C10H19N5O5 (289.1386124)


A dipeptide formed from L-arginyl and L-aspartic acid residues.

   

Asp-arg

2-(2-amino-5-carbamimidamidopentanamido)butanedioic acid

C10H19N5O5 (289.1386124)


A dipeptide composed of L-aspartic acid and L-arginine joined by a peptide linkage.

   

CAR 6:1;O2

3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H23NO6 (289.1525298)


   

Pyrimido[1,2-a]benzimidazol-4-ol, 2-methyl-3-(phenylmethyl)- (9CI)

Pyrimido[1,2-a]benzimidazol-4-ol, 2-methyl-3-(phenylmethyl)- (9CI)

C18H15N3O (289.121506)


   

1,1,2-trimethylbenzo[e]indole-6-sulfonic acid

1,1,2-trimethylbenzo[e]indole-6-sulfonic acid

C15H15NO3S (289.07726)


   

(3-(diphenylamino)phenyl)boronic acid

(3-(diphenylamino)phenyl)boronic acid

C18H16BNO2 (289.1274026)


   

2-amino-4-trifluoropyrimidine-5-boronic acid pinacol ester

2-amino-4-trifluoropyrimidine-5-boronic acid pinacol ester

C11H15BF3N3O2 (289.1209356)


   

4-(4-fluorobenzyloxy)-3-nitroacetophenone

4-(4-fluorobenzyloxy)-3-nitroacetophenone

C15H12FNO4 (289.0750324)


   

1-BOC-2-TRIMETHYLSILANYL-INDOLE

1-BOC-2-TRIMETHYLSILANYL-INDOLE

C16H23NO2Si (289.1497978)


   

1-(3-FLUOROPHENYL)-1-TOSYL]METHYLISOCYANIDE

1-(3-FLUOROPHENYL)-1-TOSYL]METHYLISOCYANIDE

C15H12FNO2S (289.05727440000004)


   

(4-cyano-3-fluorophenyl) 4-propylcyclohexane-1-carboxylate

(4-cyano-3-fluorophenyl) 4-propylcyclohexane-1-carboxylate

C17H20FNO2 (289.1477992)


   

(3,5-DIMETHYL-PHENOXY)-ACETICACIDHYDRAZIDE

(3,5-DIMETHYL-PHENOXY)-ACETICACIDHYDRAZIDE

C15H15NO5 (289.095018)


   

ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate

ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate

C16H19NO2S (289.1136434)


   
   

3-[(FURAN-2-CARBONYL)-AMINO]-3-(4-METHOXY-PHENYL)-PROPIONIC ACID

3-[(FURAN-2-CARBONYL)-AMINO]-3-(4-METHOXY-PHENYL)-PROPIONIC ACID

C15H15NO5 (289.095018)


   

5-chloro-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidine

5-chloro-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidine

C14H12ClN3O2 (289.0618002)


   

(4-Formyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)bo ronic acid

(4-Formyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)bo ronic acid

C14H16BNO5 (289.1121476)


   

Methyl (R)-3-aMinobutyrate p-toluenesulfonate salt

Methyl (R)-3-aMinobutyrate p-toluenesulfonate salt

C12H19NO5S (289.09838840000003)


   

Improsulfan

Improsulfan

C8H19NO6S2 (289.0653754)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent

   

1-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YLMETHYL]-1H-INDOLE-2,3-DIONE

1-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YLMETHYL]-1H-INDOLE-2,3-DIONE

C15H19N3O3 (289.1426344)


   

N-[PHENYL-(TOLUENE-4-SULFONYL)METHYL]FORMAMIDE

N-[PHENYL-(TOLUENE-4-SULFONYL)METHYL]FORMAMIDE

C15H15NO3S (289.07726)


   
   

dimethyl-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]silicon

dimethyl-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]silicon

C16H23NO2Si (289.1497978)


   
   
   

METHYL 4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYLMETHANESULFONAMIDO)]PYRIMIDINE-5-CARBOXYLATE

METHYL 4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYLMETHANESULFONAMIDO)]PYRIMIDINE-5-CARBOXYLATE

C15H16FN3O2 (289.1226488)


   

Acetamide,N-[3-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]-

Acetamide,N-[3-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]-

C15H19N3O3 (289.1426344)


   
   

N-(2-BIPHENYL)ANTHRANILIC ACID

N-(2-BIPHENYL)ANTHRANILIC ACID

C19H15NO2 (289.110273)


   

Nα-Carbobenzoxy-D-histidine

Nα-Carbobenzoxy-D-histidine

C14H15N3O4 (289.106251)


   

2-AMINO-4-(3-(BENZYLOXY)PHENYL)-1H-PYRROLE-3-CARBONITRILE

2-AMINO-4-(3-(BENZYLOXY)PHENYL)-1H-PYRROLE-3-CARBONITRILE

C18H15N3O (289.121506)


   

4-Methoxy-N-(4-methylphenyl)-N-phenylaniline

4-Methoxy-N-(4-methylphenyl)-N-phenylaniline

C20H19NO (289.14665640000004)


   

ETHYL 2-(4-ISOPROPYLPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE

ETHYL 2-(4-ISOPROPYLPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE

C16H19NO2S (289.1136434)


   

2-METHYL-N-(1R-NAPHTHALEN-2-YL-ETHYL)-BENZAMIDE

2-METHYL-N-(1R-NAPHTHALEN-2-YL-ETHYL)-BENZAMIDE

C20H19NO (289.14665640000004)


   

2-METHYL-N-(1R-NAPHTHALEN-1-YL-ETHYL)-BENZAMIDE

2-METHYL-N-(1R-NAPHTHALEN-1-YL-ETHYL)-BENZAMIDE

C20H19NO (289.14665640000004)


   

N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide

N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide

C15H15NO3S (289.07726)


   

Bis(4-fluorophenyl)[(2S)-2-pyrrolidinyl]methanol

Bis(4-fluorophenyl)[(2S)-2-pyrrolidinyl]methanol

C17H17F2NO (289.1278136)


   
   

1-(2-FLUOROPHENYL)-1-TOSYL]METHYLISOCYANIDE

1-(2-FLUOROPHENYL)-1-TOSYL]METHYLISOCYANIDE

C15H12FNO2S (289.05727440000004)


   
   

(4-BENZOYLBENZYL)TRIMETHYLAMMONIUM CHLORIDE

(4-BENZOYLBENZYL)TRIMETHYLAMMONIUM CHLORIDE

C17H20ClNO (289.12333400000006)


   

N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide

N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide

C14H12ClN3O2 (289.0618002)


   
   
   

[4-(Diphenylamino)phenyl]boronic acid

[4-(Diphenylamino)phenyl]boronic acid

C18H16BNO2 (289.1274026)


   

Carbobenzoxy-dl-histidine

Carbobenzoxy-dl-histidine

C14H15N3O4 (289.106251)


   

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)pyridine

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)pyridine

C12H15BF3NO3 (289.1097026)


   
   

1H-Indole,1-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-(9CI)

1H-Indole,1-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-(9CI)

C18H15N3O (289.121506)


   
   

4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C15H17BClNO2 (289.1040802)


   

1-(4-fluorophenyl)-5-pyrimidin-2-ylindole

1-(4-fluorophenyl)-5-pyrimidin-2-ylindole

C18H12FN3 (289.1015204)


   

1-(3-CHLORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE

1-(3-CHLORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE

C13H17Cl2NO2 (289.06362820000004)


   

proguanil hydrochloride

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

3-(1-oxo-4-p-tolylphthalazin-2(1h)-yl)propanenitrile

C18H15N3O (289.121506)


   

2-AMINO-4-(4-ISOPROPYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLIC ACID METHYL ESTER

2-AMINO-4-(4-ISOPROPYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLIC ACID METHYL ESTER

C16H19NO2S (289.1136434)


   

[2-(3,4-dimethoxy-phenyl)-ethyl]-(2-fluoro-benzyl)-amine

[2-(3,4-dimethoxy-phenyl)-ethyl]-(2-fluoro-benzyl)-amine

C17H20FNO2 (289.1477992)


   

1,8-Dihydroxy-2,8-dithiocyclotetradecane

1,8-Dihydroxy-2,8-dithiocyclotetradecane

C14H25O2S2 (289.129589)


   

Methyl 3-(5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl)propanoate

Methyl 3-(5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl)propanoate

C13H11F4NO2 (289.0725874)


   

Bindschedlers green

Bindschedlers green

C16H20ClN3 (289.134567)


   

METHYL 3-AMINO-5-[4-(TERT-BUTYL)PHENYL]THIOPHENE-2-CARBOXYLATE

METHYL 3-AMINO-5-[4-(TERT-BUTYL)PHENYL]THIOPHENE-2-CARBOXYLATE

C16H19NO2S (289.1136434)


   

(4-(BENZYLCARBAMOYL)-3-CHLOROPHENYL)BORONIC ACID

(4-(BENZYLCARBAMOYL)-3-CHLOROPHENYL)BORONIC ACID

C14H13BClNO3 (289.0676968)


   

4-CYCLOHEXYL-5-(2-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

4-CYCLOHEXYL-5-(2-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

C15H19N3OS (289.1248764)


   

ethyl 1-(5-methyl-2-nitrophenyl)-1H-imidazole-4-carboxylate

ethyl 1-(5-methyl-2-nitrophenyl)-1H-imidazole-4-carboxylate

C14H15N3O4 (289.106251)


   

phenyl-(4-phenylmethoxyphenyl)methanamine

phenyl-(4-phenylmethoxyphenyl)methanamine

C20H19NO (289.14665640000004)


   

2-AMINO-5-CBZ-4,5,6,7-TETRAHYDRO-1,3-THIAZOLO[5,4-C]PYRIDINE

2-AMINO-5-CBZ-4,5,6,7-TETRAHYDRO-1,3-THIAZOLO[5,4-C]PYRIDINE

C14H15N3O2S (289.088493)


   

Benzyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate

Benzyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate

C16H19NO4 (289.1314014)


   

5-AMINO-N-(2,3-DIHYDROXY-1-PROPYL)-ISOPHTHALAMIDE HYDROCHLORIDE

5-AMINO-N-(2,3-DIHYDROXY-1-PROPYL)-ISOPHTHALAMIDE HYDROCHLORIDE

C11H16ClN3O4 (289.0829286)


   

(-)-[(8,8-Dimethoxycamphoryl)sulfonyl]oxaziridine

(-)-[(8,8-Dimethoxycamphoryl)sulfonyl]oxaziridine

C12H19NO5S (289.09838840000003)


   

3-(4-FLUOROPHENYL)-5-(FURAN-2-YL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE

3-(4-FLUOROPHENYL)-5-(FURAN-2-YL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE

C14H12FN3OS (289.06850740000004)


   

N-(3,4-dimethylphenyl)-N,4-dimethylbenzenesulfonamide

N-(3,4-dimethylphenyl)-N,4-dimethylbenzenesulfonamide

C16H19NO2S (289.1136434)


   

1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane

1-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane

C12H14F3N3O2 (289.103806)


   

4-((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)ANILINE

4-((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)ANILINE

C19H19NSi (289.1286694)


   

2-AMINO-4-(4-ISOBUTYL-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER

2-AMINO-4-(4-ISOBUTYL-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER

C16H19NO2S (289.1136434)


   

methyl 2-amino-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

methyl 2-amino-7-methoxy-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

C15H15NO3S (289.07726)


   

5-TERT-BUTYL-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-3-CARBOXYLICACID

5-TERT-BUTYL-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-3-CARBOXYLICACID

C14H15N3O4 (289.106251)


   

N-(4-acetylphenyl)-4-methylbenzenesulfonamide

N-(4-acetylphenyl)-4-methylbenzenesulfonamide

C15H15NO3S (289.07726)


   

7-Chloroquinoline-4-boronic acid pinacol ester

7-Chloroquinoline-4-boronic acid pinacol ester

C15H17BClNO2 (289.1040802)


   
   

2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

C17H17ClFN (289.1033484)


   

3,5-Dimethoxy-4-(3-pyridinylmethoxy)benzoic acid

3,5-Dimethoxy-4-(3-pyridinylmethoxy)benzoic acid

C15H15NO5 (289.095018)


   

(3-Chloro-4-fluorophenyl)[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]methanone

(3-Chloro-4-fluorophenyl)[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]methanone

C13H14ClF2NO2 (289.0681078)


   

N-(4-Chloro-3-cyano-6-ethoxy-7-quinolinyl)acetamide

N-(4-Chloro-3-cyano-6-ethoxy-7-quinolinyl)acetamide

C14H12ClN3O2 (289.0618002)


   

4-(Diphenylamino)benzoic acid

4-(Diphenylamino)benzoic acid

C19H15NO2 (289.110273)


   

2,4-DINITRO-2-METHOXYDIPHENYLAMINE

2,4-DINITRO-2-METHOXYDIPHENYLAMINE

C13H11N3O5 (289.0698676)


   

Tazanolast

Tazanolast

C13H15N5O3 (289.117484)


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

[5-formyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

C14H16BNO5 (289.1121476)


   
   

2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate

2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate

C16H19NO4 (289.1314014)


   

(6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)methanamine hydrochloride

(6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)methanamine hydrochloride

C16H20ClN3 (289.134567)


   

Benzyl 2-oxo-1-oxa-6-azaspiro[4.5]decane-6-carboxylate

Benzyl 2-oxo-1-oxa-6-azaspiro[4.5]decane-6-carboxylate

C16H19NO4 (289.1314014)


   

(R)-2-amino-1,1,2-triphenylethanol

(R)-2-amino-1,1,2-triphenylethanol

C20H19NO (289.14665640000004)


   

1H-Benz[g]indole-3-carboxaldehyde,2-(4-fluorophenyl)-(9CI)

1H-Benz[g]indole-3-carboxaldehyde,2-(4-fluorophenyl)-(9CI)

C19H12FNO (289.0902874)


   

(5-(((Benzyloxy)carbonyl)amino)-2-fluorophenyl)boronic acid

(5-(((Benzyloxy)carbonyl)amino)-2-fluorophenyl)boronic acid

C14H13BFNO4 (289.09216200000003)


   
   

(2S)-2-Amino-1,1,2-triphenylethanol

(2S)-2-Amino-1,1,2-triphenylethanol

C20H19NO (289.14665640000004)


   

Nicoclonate

[1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate

C16H16ClNO2 (289.08695059999997)


C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent

   

5-chloro-2-methoxy-n-(2-phenylethyl)benzamide

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

3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

C13H11N3O5 (289.0698676)


   

(4-((2-Chloro-4-methylphenyl)carbamoyl)phenyl)boronic acid

(4-((2-Chloro-4-methylphenyl)carbamoyl)phenyl)boronic acid

C14H13BClNO3 (289.0676968)


   
   

[3-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]boronic acid

[3-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]boronic acid

C14H13BClNO3 (289.0676968)


   

2-(3-Hydroxy-2-quinolyl)-1,3-indandione

2-(3-Hydroxy-2-quinolyl)-1,3-indandione

C18H11NO3 (289.07388960000003)


   

2-(4-Methoxyphenoxy)-5-nitrobenzoic acid

2-(4-Methoxyphenoxy)-5-nitrobenzoic acid

C14H11NO6 (289.0586346)


   

(R)-METHYL 3-ACETAMIDO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE

(R)-METHYL 3-ACETAMIDO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE

C13H14F3NO3 (289.092573)


   

(4-((3-CHLORO-4-METHYLPHENYL)CARBAMOYL)PHENYL)BORONIC ACID

(4-((3-CHLORO-4-METHYLPHENYL)CARBAMOYL)PHENYL)BORONIC ACID

C14H13BClNO3 (289.0676968)


   

ETHYL4-(4,4-DIMETHYL-2,6-DIOXOPIPERIDIN-1-YL)BENZOATE

ETHYL4-(4,4-DIMETHYL-2,6-DIOXOPIPERIDIN-1-YL)BENZOATE

C16H19NO4 (289.1314014)


   

l-n-cbz-3-pyrazol-1-yl-alanine

l-n-cbz-3-pyrazol-1-yl-alanine

C14H15N3O4 (289.106251)


   

IMAZETHAPYR

IMAZETHAPYR

C15H19N3O3 (289.1426344)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate

ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate

C16H19NO4 (289.1314014)


   

3-Oxa-9-azatricyclo[3.3.1.02,4]non-7-yl tropate

[(1S,2S,4R,5R)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate

C16H19NO4 (289.1314014)


   

1,1,2-Trimethyl-1H-benz[e]indole-7-sulfonic acid

1,1,2-Trimethyl-1H-benz[e]indole-7-sulfonic acid

C15H15NO3S (289.07726)


   

dibenzyl n,n-dimethylphosphoramidite

dibenzyl n,n-dimethylphosphoramidite

C16H20NO2P (289.12315900000004)


   

3-(4-CYANOPHENYL)-1-(4-ISOBUTYLPHENYL)PROP-2-EN-1-ONE

3-(4-CYANOPHENYL)-1-(4-ISOBUTYLPHENYL)PROP-2-EN-1-ONE

C20H19NO (289.14665640000004)


   
   

2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]azanium

2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]azanium

C17H20FNO2 (289.1477992)


   

1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone

1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone

C15H15NO3S (289.07726)


   

H-Gly-Gly-AMC hydrochloride salt

H-Gly-Gly-AMC hydrochloride salt

C14H15N3O4 (289.106251)


   

5-(1-methylcyclopropyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(1-methylcyclopropyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C12H14F3N3O2 (289.103806)


   

2-(3,4-DIMETHOXY-PHENYL)-4-FLUORO-BENZOTHIAZOLE

2-(3,4-DIMETHOXY-PHENYL)-4-FLUORO-BENZOTHIAZOLE

C15H12FNO2S (289.05727440000004)


   

(2-Chloro-pyridin-3-yl)-(4-MethylaMino-piperidin-1-yl)-Methanone hydrochloride

(2-Chloro-pyridin-3-yl)-(4-MethylaMino-piperidin-1-yl)-Methanone hydrochloride

C12H17Cl2N3O (289.07486120000004)


   

5-Methoxy-7-Methyl-t-Boc-1H-indole-4-carbaldehyde

5-Methoxy-7-Methyl-t-Boc-1H-indole-4-carbaldehyde

C16H19NO4 (289.1314014)


   

2-(diphenylamino)phenylboronic acid

2-(diphenylamino)phenylboronic acid

C18H16BNO2 (289.1274026)


   

6-[(benzyloxy)carbonyl]-6-azaspiro[2.5]octane-1-carboxylic acid

6-[(benzyloxy)carbonyl]-6-azaspiro[2.5]octane-1-carboxylic acid

C16H19NO4 (289.1314014)


   

2-METHYL-N-(1S-NAPHTHALEN-2-YL-ETHYL)-BENZAMIDE

2-METHYL-N-(1S-NAPHTHALEN-2-YL-ETHYL)-BENZAMIDE

C20H19NO (289.14665640000004)


   

4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one

4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one

C15H20BNO4 (289.14853100000005)


   

ethyl 4-[(4-chlorophenyl)methylamino]benzoate

ethyl 4-[(4-chlorophenyl)methylamino]benzoate

C16H16ClNO2 (289.08695059999997)


   

N-(4-(2-benzimidazolyl)phenyl)maleimide

N-(4-(2-benzimidazolyl)phenyl)maleimide

C17H11N3O2 (289.0851226)


   

METHYL 3-AMINO-5-(4-ISOBUTYLPHENYL)THIOPHENE-2-CARBOXYLATE

METHYL 3-AMINO-5-(4-ISOBUTYLPHENYL)THIOPHENE-2-CARBOXYLATE

C16H19NO2S (289.1136434)


   

(3-(((Benzyloxy)carbonyl)amino)-5-fluorophenyl)boronic acid

(3-(((Benzyloxy)carbonyl)amino)-5-fluorophenyl)boronic acid

C14H13BFNO4 (289.09216200000003)


   

(3-((3-CHLORO-2-METHYLPHENYL)CARBAMOYL)PHENYL)BORONIC ACID

(3-((3-CHLORO-2-METHYLPHENYL)CARBAMOYL)PHENYL)BORONIC ACID

C14H13BClNO3 (289.0676968)


   

2-(5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile

2-(5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile

C15H20BNO4 (289.14853100000005)


   

2-N-Boc-Amino-3-(4-tetrahydrothiopyranyl)propionic acid

2-N-Boc-Amino-3-(4-tetrahydrothiopyranyl)propionic acid

C13H23NO4S (289.1347718)


   

Ethyl 4-acetoxy-3-formyl-1-methyl-1H-indole-6-carboxylate

Ethyl 4-acetoxy-3-formyl-1-methyl-1H-indole-6-carboxylate

C15H15NO5 (289.095018)


   
   

(4-(((Benzyloxy)carbonyl)amino)-3-fluorophenyl)boronic acid

(4-(((Benzyloxy)carbonyl)amino)-3-fluorophenyl)boronic acid

C14H13BFNO4 (289.09216200000003)


   
   

N-(1-Naphthalenyl)-β-oxobenzenepropanamide

N-(1-Naphthalenyl)-β-oxobenzenepropanamide

C19H15NO2 (289.110273)


   

Methyl 1-(2-nitro-4-(trifluoromethyl)phenyl)cyclopropanecarboxylate

Methyl 1-(2-nitro-4-(trifluoromethyl)phenyl)cyclopropanecarboxylate

C12H10F3NO4 (289.0561896)


   

5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester

5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester

C12H14F3N3O2 (289.103806)


   

1-(diphenylmethyl)-3-methylazetidin-3-ol hydrochloride

1-(diphenylmethyl)-3-methylazetidin-3-ol hydrochloride

C17H20ClNO (289.12333400000006)


   

Benzofuro(3,2-d)pyrimidin-4(3H)-one, 8-chloro-2-((2S)-2-pyrrolidinyl)-

Benzofuro(3,2-d)pyrimidin-4(3H)-one, 8-chloro-2-((2S)-2-pyrrolidinyl)-

C14H12ClN3O2 (289.0618002)


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

   

5-Aminomethyl-2-thiouridine

5-Aminomethyl-2-thiouridine

C10H15N3O5S (289.073238)


   

(2S,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

(2S,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C16H19NO4 (289.1314014)


   

N-(3-Hydroxy-1-oxocyclopent-2-en-2-yl)-3-(4-hydroxy-3-methoxyphenyl)propenamide

N-(3-Hydroxy-1-oxocyclopent-2-en-2-yl)-3-(4-hydroxy-3-methoxyphenyl)propenamide

C15H15NO5 (289.095018)


   

(1R)-6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

(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

4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

C15H19N3OS (289.1248764)


   

N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

C15H10F3N3 (289.0826776)


   

2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile

2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile

C17H15N5 (289.132739)


   

N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide

N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide

C14H15N3O2S (289.088493)


   

2-[[Anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide

2-[[Anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide

C14H15N3O2S (289.088493)


   

3-[(1-Methyl-5-tetrazolyl)thio]-1-phenylpyrrolidine-2,5-dione

3-[(1-Methyl-5-tetrazolyl)thio]-1-phenylpyrrolidine-2,5-dione

C12H11N5O2S (289.0633426)


   

N-(3-acetylphenyl)-2-naphthalenecarboxamide

N-(3-acetylphenyl)-2-naphthalenecarboxamide

C19H15NO2 (289.110273)


   

2-[(1-Oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester

2-[(1-Oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester

C15H15NO3S (289.07726)


   

4,6-Dimethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile

4,6-Dimethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile

C15H19N3OS (289.1248764)


   

3,4-Dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone

3,4-Dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone

C13H15N5O3 (289.117484)


   
   

(R)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride

(R)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride

C17H20ClNO (289.12333400000006)


   

L-Glutamic acid, L-alanyl-L-alanyl-

L-Glutamic acid, L-alanyl-L-alanyl-

C11H19N3O6 (289.1273794)


   

4-(7-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine

4-(7-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine

C15H19N3OS (289.1248764)


   

Diethyl 2-(3-ethoxy-3-oxopropanamido)malonate

Diethyl 2-(3-ethoxy-3-oxopropanamido)malonate

C12H19NO7 (289.1161464)


   

Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-(hydroxymethyl)phenyl)-

Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-(hydroxymethyl)phenyl)-

C14H11NO6 (289.0586346)


   

(S)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride

(S)-3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride

C17H20ClNO (289.12333400000006)


   

6-(N-Phenylcarbamyl)-2-naphthalenecarboxamidine

6-(N-Phenylcarbamyl)-2-naphthalenecarboxamidine

C18H15N3O (289.121506)


   

Naphthyridine inhibitor

Naphthyridine inhibitor

C17H15N5 (289.132739)


   

7-(2,5-Dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine

7-(2,5-Dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine

C17H15N5 (289.132739)


   
   

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

C14H15N3O4 (289.106251)


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

3-(3,4,5-Timethoxyphenyl)propanoylpyrrole

C16H19NO4 (289.1314014)


A natural product found in Piper boehmeriaefolium.

   
   

(N(omega)-L-arginino)succinate(1-)

(N(omega)-L-arginino)succinate(1-)

C10H17N4O6- (289.1148042)


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

(2S)-2-{[(3S)-3-azaniumyl-3-carboxylatopropanoyl]amino}-5-{[azaniumyl(imino)methyl]amino}pentanoate

C10H19N5O5 (289.1386124)


   

p-coumaroyltriacetate

p-coumaroyltriacetate

C15H13O6- (289.0712098)


   

(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

C16H19NO4 (289.1314014)


   

6-hydroxy-IAA-valine

6-hydroxy-IAA-valine

C15H17N2O4- (289.1188262)


D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids

   
   

hemigossypolone-6-methyl ether

hemigossypolone-6-methyl ether

C16H17O5- (289.1075932)


   

gamma-L-glutamyl-[(S)-allyl]-L-cysteine

gamma-L-glutamyl-[(S)-allyl]-L-cysteine

C11H17N2O5S- (289.0858132)


   

gamma-L-glutamyl-(S)-trans-1-propenyl-L-cysteine

gamma-L-glutamyl-(S)-trans-1-propenyl-L-cysteine

C11H17N2O5S- (289.0858132)


   
   

N-[(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carbonyl]-L-threonine

N-[(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carbonyl]-L-threonine

C11H19N3O6 (289.1273794)


   

(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

(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

C16H19NO4 (289.1314014)


   

2-Hydroxy-5-[2-(4-nitrophenyl)hydrazinyl]benzoic acid

2-Hydroxy-5-[2-(4-nitrophenyl)hydrazinyl]benzoic acid

C13H11N3O5 (289.0698676)


   

N-(1-Oxoindan-4-ylcarbonyl)isoleucine

N-(1-Oxoindan-4-ylcarbonyl)isoleucine

C16H19NO4 (289.1314014)


   
   

6-Chloro-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol

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

(2E)-2-[(5-methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide

C13H15N5OS (289.09972600000003)


   

1-(3,5-Dimethoxyphenyl)-3-(3-pyridinyl)thiourea

1-(3,5-Dimethoxyphenyl)-3-(3-pyridinyl)thiourea

C14H15N3O2S (289.088493)


   

3-(1-Phthalazinylhydrazo)-2-indolone

3-(1-Phthalazinylhydrazo)-2-indolone

C16H11N5O (289.0963556)


   

3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C12H11N5O2S (289.0633426)


   

1,2,3,6-Tetrahydropyridine, 1-acetyl-4-[4-acetoxy-5-methoxyphenyl]-

1,2,3,6-Tetrahydropyridine, 1-acetyl-4-[4-acetoxy-5-methoxyphenyl]-

C16H19NO4 (289.1314014)


   

1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

C15H16FN3S (289.1048908)


   

2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-1-(3,4-dimethyl-phenyl)-ethanone

2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-1-(3,4-dimethyl-phenyl)-ethanone

C14H15N3O2S (289.088493)


   

2-Chloro-5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid

2-Chloro-5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid

C14H12ClN3O2 (289.0618002)


   

(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid

C11H19N3O6 (289.1273794)


   

N-(5-tert-butyl-3-isoxazolyl)-3-nitrobenzamide

N-(5-tert-butyl-3-isoxazolyl)-3-nitrobenzamide

C14H15N3O4 (289.106251)


   

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide

C15H19N3OS (289.1248764)


   

2-[(2,5-Dimethoxyphenyl)sulfonyl-methylamino]acetic acid

2-[(2,5-Dimethoxyphenyl)sulfonyl-methylamino]acetic acid

C11H15NO6S (289.062005)


   

N-(Carboxymethyl)-N,N,N-tris(carboxylatomethyl)ethylenediamine

N-(Carboxymethyl)-N,N,N-tris(carboxylatomethyl)ethylenediamine

C10H13N2O8-3 (289.0671878)


   

2-[[5-(3-Methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid

2-[[5-(3-Methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid

C14H15N3O2S (289.088493)


   

1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one

1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-2-one

C16H19NO4 (289.1314014)


   

N-{[2-(4-chlorophenyl)acetyl]oxy}pyridine-2-carboximidamide

N-{[2-(4-chlorophenyl)acetyl]oxy}pyridine-2-carboximidamide

C14H12ClN3O2 (289.0618002)


   

2-[2-(3,5-Dimethyl-1-pyrazolyl)ethyl]-4-thiophen-2-ylthiazole

2-[2-(3,5-Dimethyl-1-pyrazolyl)ethyl]-4-thiophen-2-ylthiazole

C14H15N3S2 (289.070735)


   

2-[Oxo-(2-phenylethylamino)methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid

2-[Oxo-(2-phenylethylamino)methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid

C16H19NO4 (289.1314014)


   

methyl (2E)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}hydrazinecarboxylate

methyl (2E)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}hydrazinecarboxylate

C15H16FN3O2 (289.1226488)


   

(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid pentyl ester

(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid pentyl ester

C16H19NO4 (289.1314014)


   

N-(5-pyridin-2-ylthiophen-2-yl)morpholine-4-carboxamide

N-(5-pyridin-2-ylthiophen-2-yl)morpholine-4-carboxamide

C14H15N3O2S (289.088493)


   

[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

C15H15NO5 (289.095018)


   

1-benzyl-3-[(E)-1-thiophen-2-ylethylideneamino]thiourea

1-benzyl-3-[(E)-1-thiophen-2-ylethylideneamino]thiourea

C14H15N3S2 (289.070735)


   

5-[(E)-{[(4-methoxybenzyl)oxy]imino}methyl]-6-methylpyrimidine-2,4(1H,3H)-dione

5-[(E)-{[(4-methoxybenzyl)oxy]imino}methyl]-6-methylpyrimidine-2,4(1H,3H)-dione

C14H15N3O4 (289.106251)


   

[(3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxonium

[(3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxonium

C16H17O5+ (289.1075932)


   

Ethyl 5-amino-1-thieno[2,3-d]pyrimidin-4-ylpyrazole-4-carboxylate

Ethyl 5-amino-1-thieno[2,3-d]pyrimidin-4-ylpyrazole-4-carboxylate

C12H11N5O2S (289.0633426)


   
   
   
   
   
   

2-ethyl-N-phenyl-4-benzofuro[3,2-d]pyrimidinamine

2-ethyl-N-phenyl-4-benzofuro[3,2-d]pyrimidinamine

C18H15N3O (289.121506)


   

2-amino-N-(4-chlorobenzoyl)benzohydrazide

2-amino-N-(4-chlorobenzoyl)benzohydrazide

C14H12ClN3O2 (289.0618002)


   

(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile

(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile

C18H15N3O (289.121506)


   

(2S,3R,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

C18H15N3O (289.121506)


   

6-Aminopenicilloyl-butylamine

6-Aminopenicilloyl-butylamine

C12H23N3O3S (289.1460048)


   

2-methylalanyl-D-tryptophan

2-methylalanyl-D-tryptophan

C15H19N3O3 (289.1426344)


   
   
   
   
   
   

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

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

C16H19NO4 (289.1314014)


   

(2R)-2-amino-3-[[5-(2-hydroperoxyethyl)-2,3-dihydroxyphenyl]thio]propanoic acid

(2R)-2-amino-3-[[5-(2-hydroperoxyethyl)-2,3-dihydroxyphenyl]thio]propanoic acid

C11H15NO6S (289.062005)


   

2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C12H11N5O4 (289.0811006)


   

7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate

7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptanoate

C13H21O7- (289.1287216)


   

(6R)-6-[(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

C13H21O7- (289.1287216)


   

2-[(1S)-1-ethyl-8-(hydroxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid

2-[(1S)-1-ethyl-8-(hydroxymethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid

C16H19NO4 (289.1314014)


   

1-L-glutamo-2-N(6-)L-lysinohydrazine

1-L-glutamo-2-N(6-)L-lysinohydrazine

C11H19N3O6-2 (289.1273794)


   

gamma-Glutamyl-N-(2-aminobutanoyl)glycine

gamma-Glutamyl-N-(2-aminobutanoyl)glycine

C11H19N3O6 (289.1273794)


   

3-(alpha-Hydroxy-4-nitrobenzyl)-2,5-dihydroxy-2,4,6-cycloheptatrien-1-one

3-(alpha-Hydroxy-4-nitrobenzyl)-2,5-dihydroxy-2,4,6-cycloheptatrien-1-one

C14H11NO6 (289.0586346)


   

Rel-(1R,5R,11R)-3-(4-nitrophenyl)-hydroxymethyl-6,7-dioxabicyclo(3.2.2)nona-3,8-dien-2-one

Rel-(1R,5R,11R)-3-(4-nitrophenyl)-hydroxymethyl-6,7-dioxabicyclo(3.2.2)nona-3,8-dien-2-one

C14H11NO6 (289.0586346)


   

(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acid

(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acid

C11H15NO8 (289.079763)


   

L-beta-aspartyl-L-arginine

L-beta-aspartyl-L-arginine

C10H19N5O5 (289.1386124)


   
   

6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide

6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide

C15H19N3O3 (289.1426344)


   
   

2-Amino-5-[[1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

2-Amino-5-[[1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

C11H19N3O6 (289.1273794)


   

(3R)-7,2-dihydroxy-4-methoxyisoflavanol 4-oxonium cation

(3R)-7,2-dihydroxy-4-methoxyisoflavanol 4-oxonium cation

C16H17O5 (289.1075932)


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

Ecgonine benzoate

C16H19NO4 (289.1314014)


A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases.

   
   
   
   

SKF 81297

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

(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

C16H19NO4 (289.1314014)


   

5-(2h-1,3-benzodioxol-5-yl)-n-(2-hydroxy-2-methylpropyl)penta-2,4-dienamide

5-(2h-1,3-benzodioxol-5-yl)-n-(2-hydroxy-2-methylpropyl)penta-2,4-dienamide

C16H19NO4 (289.1314014)


   

2-(4-oxo-1h-quinazolin-2-yl)-1h-indole-3-carbaldehyde

2-(4-oxo-1h-quinazolin-2-yl)-1h-indole-3-carbaldehyde

C17H11N3O2 (289.0851226)


   

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

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

C17H11N3O2 (289.0851226)


   

(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

(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

C14H15N3O4 (289.106251)


   

3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

C16H19NO4 (289.1314014)


   

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

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

C17H11N3O2 (289.0851226)


   

2-[(2s)-4,8-dimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl]propan-2-ol

2-[(2s)-4,8-dimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl]propan-2-ol

C16H19NO4 (289.1314014)


   

(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl propanoate

(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl propanoate

C15H15NO5 (289.095018)


   

(3z)-3-[(4-hydroxyphenyl)methylidene]-4h-cyclopenta[b]indole-1,2-dione

(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

(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

C15H15NO5 (289.095018)


   

3-(methylsulfanyl)-n-(4-{[3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)prop-2-enimidic acid

3-(methylsulfanyl)-n-(4-{[3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)prop-2-enimidic acid

C12H19NO3S2 (289.0806304)


   

3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxy-7-methoxy-1-methylquinolin-2-one

3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxy-7-methoxy-1-methylquinolin-2-one

C16H19NO4 (289.1314014)


   

6-hydroxy-4-[(2s)-2-hydroxy-5,7-dimethyl-3-oxo-1-benzofuran-2-yl]-4,5-dihydro-3h-pyridin-2-one

6-hydroxy-4-[(2s)-2-hydroxy-5,7-dimethyl-3-oxo-1-benzofuran-2-yl]-4,5-dihydro-3h-pyridin-2-one

C15H15NO5 (289.095018)


   

{[3-methoxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-3-oxopropyl]sulfanyl}acetic acid

{[3-methoxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-3-oxopropyl]sulfanyl}acetic acid

C11H15NO6S (289.062005)


   

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

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

3,4,5-trihydroxy-n-[2-(4-hydroxyphenyl)ethyl]benzenecarboximidic acid

C15H15NO5 (289.095018)


   

2-hydroxy-n-[(1s,6r)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid

2-hydroxy-n-[(1s,6r)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid

C14H11NO6 (289.0586346)


   

1-[1-oxo-3(3,4-methylenedioxy-5-methoxy-phenyl)-2zpropenyl] piperidine

NA

C16H19NO4 (289.1314014)


{"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

NA

C16H19NO4 (289.1314014)


{"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

NA

C16H19NO4 (289.1314014)


{"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

(3r)-3-hydroxy-9-methoxy-2,2,10-trimethyl-3h,4h-pyrano[2,3-b]quinolin-5-one

C16H19NO4 (289.1314014)


   

(2s)-2-amino-4-{[(1s)-1-(carboxymethyl-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}butanoic acid

(2s)-2-amino-4-{[(1s)-1-(carboxymethyl-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}butanoic acid

C11H19N3O6 (289.1273794)


   

(2z)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

(2z)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

C16H19NO4 (289.1314014)


   

7-(3-hydroxypropyl)-10-imino-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid

7-(3-hydroxypropyl)-10-imino-11-oxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid

C14H15N3O4 (289.106251)


   

(2s,9br)-9b-hydroxy-2-(2-hydroxypropan-2-yl)-4,8-dimethyl-1h,2h-furo[3,2-f]isoquinolin-5-one

(2s,9br)-9b-hydroxy-2-(2-hydroxypropan-2-yl)-4,8-dimethyl-1h,2h-furo[3,2-f]isoquinolin-5-one

C16H19NO4 (289.1314014)


   

2-[(4r)-4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-4-methoxynaphthalen-1-ol

2-[(4r)-4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-4-methoxynaphthalen-1-ol

C15H15NO3S (289.07726)


   

n-{[4-methoxy-4'-methyl-5-(methylsulfanyl)-[2,2'-bipyridin]-6-yl]methylidene}hydroxylamine

n-{[4-methoxy-4'-methyl-5-(methylsulfanyl)-[2,2'-bipyridin]-6-yl]methylidene}hydroxylamine

C14H15N3O2S (289.088493)


   

5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol

5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol

C16H19NO4 (289.1314014)


   

6-hydroxy-4-(2-hydroxy-5,7-dimethyl-3-oxo-1-benzofuran-2-yl)-4,5-dihydro-3h-pyridin-2-one

6-hydroxy-4-(2-hydroxy-5,7-dimethyl-3-oxo-1-benzofuran-2-yl)-4,5-dihydro-3h-pyridin-2-one

C15H15NO5 (289.095018)


   

n-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzenecarboximidic acid

n-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzenecarboximidic acid

C15H15NO5 (289.095018)


   

(1r,2r,4s,5s,7s)-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2r)-3-hydroxy-2-phenylpropanoate

(1r,2r,4s,5s,7s)-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2r)-3-hydroxy-2-phenylpropanoate

C16H19NO4 (289.1314014)


   

2-{4,8-dimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl}propan-2-ol

2-{4,8-dimethoxy-2h,3h-furo[2,3-b]quinolin-2-yl}propan-2-ol

C16H19NO4 (289.1314014)


   

(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

(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

C16H19NO4 (289.1314014)


   

8-hydroxy-3-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-4-methoxy-1-methylquinolin-2-one

8-hydroxy-3-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-4-methoxy-1-methylquinolin-2-one

C16H19NO4 (289.1314014)


   

(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

(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

C16H19NO4 (289.1314014)


   

1,11-dihydroxy-4,9,10,10-tetramethyl-5-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-triene-8,13-dione

1,11-dihydroxy-4,9,10,10-tetramethyl-5-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-triene-8,13-dione

C16H19NO4 (289.1314014)


   

4,6,7,8-tetramethoxyfuro[2,3-b]quinoline

4,6,7,8-tetramethoxyfuro[2,3-b]quinoline

C15H15NO5 (289.095018)


   

{[(2s)-3-methoxy-2-[(3r)-3-methyl-2,5-dioxopyrrolidin-1-yl]-3-oxopropyl]sulfanyl}acetic acid

{[(2s)-3-methoxy-2-[(3r)-3-methyl-2,5-dioxopyrrolidin-1-yl]-3-oxopropyl]sulfanyl}acetic acid

C11H15NO6S (289.062005)


   

1-[3-(3,4-dimethoxyphenyl)propanoyl]-5,6-dihydropyridin-2-one

1-[3-(3,4-dimethoxyphenyl)propanoyl]-5,6-dihydropyridin-2-one

C16H19NO4 (289.1314014)


   

(2s)-2-(2-hydroxypropan-2-yl)-8-methoxy-9-methyl-2h,3h-furo[2,3-b]quinolin-4-one

(2s)-2-(2-hydroxypropan-2-yl)-8-methoxy-9-methyl-2h,3h-furo[2,3-b]quinolin-4-one

C16H19NO4 (289.1314014)


   

2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-4-methoxynaphthalen-1-ol

2-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-4-methoxynaphthalen-1-ol

C15H15NO3S (289.07726)


   

n-{[4-methoxy-6'-methyl-5-(methylsulfanyl)-[2,2'-bipyridin]-6-yl]methylidene}hydroxylamine

n-{[4-methoxy-6'-methyl-5-(methylsulfanyl)-[2,2'-bipyridin]-6-yl]methylidene}hydroxylamine

C14H15N3O2S (289.088493)


   

8-hydroxy-3-(3-hydroxy-3-methylbut-1-en-1-yl)-4-methoxy-1-methylquinolin-2-one

8-hydroxy-3-(3-hydroxy-3-methylbut-1-en-1-yl)-4-methoxy-1-methylquinolin-2-one

C16H19NO4 (289.1314014)


   

(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

(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

C16H19NO4 (289.1314014)


   

(2e)-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

(2e)-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

C16H19NO4 (289.1314014)


   

4-(2-aminoethyl)phenyl 3,4,5-trihydroxybenzoate

4-(2-aminoethyl)phenyl 3,4,5-trihydroxybenzoate

C15H15NO5 (289.095018)


   

3-(4-hydroxy-3-methoxyphenyl)-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)prop-2-enimidic acid

3-(4-hydroxy-3-methoxyphenyl)-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)prop-2-enimidic acid

C15H15NO5 (289.095018)


   

(6s)-7-(3-aminopropyl)-10,11-dioxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic 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

C14H15N3O4 (289.106251)


   

1-hydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclopent-2-ene-1-carboximidic acid

1-hydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclopent-2-ene-1-carboximidic acid

C12H19NO7 (289.1161464)


   

(3s)-3-hydroxy-9-methoxy-2,2,10-trimethyl-3h,4h-pyrano[2,3-b]quinolin-5-one

(3s)-3-hydroxy-9-methoxy-2,2,10-trimethyl-3h,4h-pyrano[2,3-b]quinolin-5-one

C16H19NO4 (289.1314014)


   

(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

(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

C16H19NO4 (289.1314014)


   

3-[(4-hydroxyphenyl)methylidene]-4h-cyclopenta[b]indole-1,2-dione

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

(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

C16H19NO4 (289.1314014)


   

4-methoxy-1-methyl-8-(3-methyl-2-oxobutoxy)quinolin-2-one

4-methoxy-1-methyl-8-(3-methyl-2-oxobutoxy)quinolin-2-one

C16H19NO4 (289.1314014)


   

3-(aminosulfanyl)-1-[(2r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

3-(aminosulfanyl)-1-[(2r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C10H15N3O5S (289.073238)


   

(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

(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

C12H19NO7 (289.1161464)


   

5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol

5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-16,17-diol

C16H19NO4 (289.1314014)


   

(3e)-3-[(4-hydroxyphenyl)methylidene]-4h-cyclopenta[b]indole-1,2-dione

(3e)-3-[(4-hydroxyphenyl)methylidene]-4h-cyclopenta[b]indole-1,2-dione

C18H11NO3 (289.07388960000003)


   

(2s,9bs)-9b-hydroxy-2-(2-hydroxypropan-2-yl)-4,8-dimethyl-1h,2h-furo[3,2-f]isoquinolin-5-one

(2s,9bs)-9b-hydroxy-2-(2-hydroxypropan-2-yl)-4,8-dimethyl-1h,2h-furo[3,2-f]isoquinolin-5-one

C16H19NO4 (289.1314014)


   

(2r)-2-amino-4-{[(1s)-1-(carboxymethyl-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}butanoic acid

(2r)-2-amino-4-{[(1s)-1-(carboxymethyl-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}butanoic acid

C11H19N3O6 (289.1273794)


   

(2e)-3-(4-hydroxy-3-methoxyphenyl)-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)prop-2-enimidic acid

(2e)-3-(4-hydroxy-3-methoxyphenyl)-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)prop-2-enimidic acid

C15H15NO5 (289.095018)


   

(1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol

(1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol

C16H19NO4 (289.1314014)


   

(2e)-3-(methylsulfanyl)-n-(4-{[(2e)-3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)prop-2-enimidic acid

(2e)-3-(methylsulfanyl)-n-(4-{[(2e)-3-(methylsulfanyl)prop-2-enoyl]oxy}butyl)prop-2-enimidic acid

C12H19NO3S2 (289.0806304)


   

2-amino-4-{[1-(carboxymethyl-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}butanoic acid

2-amino-4-{[1-(carboxymethyl-c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}butanoic acid

C11H19N3O6 (289.1273794)


   

(2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-hydroxy-2-methylpropyl)penta-2,4-dienimidic acid

(2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-n-(2-hydroxy-2-methylpropyl)penta-2,4-dienimidic acid

C16H19NO4 (289.1314014)


   

3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4,8-dimethoxyquinolin-2-ol

3-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-4,8-dimethoxyquinolin-2-ol

C16H19NO4 (289.1314014)


   

3-(aminosulfanyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

3-(aminosulfanyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C10H15N3O5S (289.073238)


   

3-(2-hydroxy-3-methylbut-3-en-1-yl)-4,8-dimethoxyquinolin-2-ol

3-(2-hydroxy-3-methylbut-3-en-1-yl)-4,8-dimethoxyquinolin-2-ol

C16H19NO4 (289.1314014)


   

(1r,5r,6r,7r,12s,13s,14s)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol

(1r,5r,6r,7r,12s,13s,14s)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol

C10H15N3O7 (289.090996)


   

3-hydroxy-9-methoxy-2,2,10-trimethyl-3h,4h-pyrano[2,3-b]quinolin-5-one

3-hydroxy-9-methoxy-2,2,10-trimethyl-3h,4h-pyrano[2,3-b]quinolin-5-one

C16H19NO4 (289.1314014)


   

5,7-dihydroxy-6-(2-hydroxy-3,4,5,6-tetrahydropyridin-4-yl)-2-methylchromen-4-one

5,7-dihydroxy-6-(2-hydroxy-3,4,5,6-tetrahydropyridin-4-yl)-2-methylchromen-4-one

C15H15NO5 (289.095018)


   

3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

C16H19NO4 (289.1314014)


   

2-{[(2,4-dihydroxyphenyl)(hydroxy)methylidene]amino}-4-hydroxybenzoic acid

2-{[(2,4-dihydroxyphenyl)(hydroxy)methylidene]amino}-4-hydroxybenzoic acid

C14H11NO6 (289.0586346)


   

3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate

3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl (2s)-3-hydroxy-2-phenylpropanoate

C16H19NO4 (289.1314014)


   

(2s,3r)-2-{[(2s)-2-amino-4-[(3s)-2,3-dihydroxy-4h-azet-3-yl]-1-hydroxybutylidene]amino}-3-hydroxybutanoic acid

(2s,3r)-2-{[(2s)-2-amino-4-[(3s)-2,3-dihydroxy-4h-azet-3-yl]-1-hydroxybutylidene]amino}-3-hydroxybutanoic acid

C11H19N3O6 (289.1273794)


   

(1s,12s,14r)-9,14-dihydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9,15-tetraen-4-ium-4-olate

(1s,12s,14r)-9,14-dihydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9,15-tetraen-4-ium-4-olate

C16H19NO4 (289.1314014)


   

3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-4-hydroxy-7-methoxy-1-methylquinolin-2-one

3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-4-hydroxy-7-methoxy-1-methylquinolin-2-one

C16H19NO4 (289.1314014)


   

4-{3-methyl-2,9-dioxo-1-oxa-6-azaspiro[4.4]nona-3,7-dien-8-yl}cyclohex-1-ene-1-carboxylic acid

4-{3-methyl-2,9-dioxo-1-oxa-6-azaspiro[4.4]nona-3,7-dien-8-yl}cyclohex-1-ene-1-carboxylic acid

C15H15NO5 (289.095018)


   

2-(2-hydroxypropan-2-yl)-8-methoxy-9-methyl-2h,3h-furo[2,3-b]quinolin-4-one

2-(2-hydroxypropan-2-yl)-8-methoxy-9-methyl-2h,3h-furo[2,3-b]quinolin-4-one

C16H19NO4 (289.1314014)


   

5,7-dihydroxy-6-[(4s)-2-hydroxy-3,4,5,6-tetrahydropyridin-4-yl]-2-methylchromen-4-one

5,7-dihydroxy-6-[(4s)-2-hydroxy-3,4,5,6-tetrahydropyridin-4-yl]-2-methylchromen-4-one

C15H15NO5 (289.095018)


   

3-(4-carboxylato-2,6-dihydroxyphenoxycarbonyl)-1-methylpyridin-1-ium

3-(4-carboxylato-2,6-dihydroxyphenoxycarbonyl)-1-methylpyridin-1-ium

C14H11NO6 (289.0586346)


   

2-hydroxy-n-[6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid

2-hydroxy-n-[6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzenecarboximidic acid

C14H11NO6 (289.0586346)


   

9b-hydroxy-2-(2-hydroxypropan-2-yl)-4,8-dimethyl-1h,2h-furo[3,2-f]isoquinolin-5-one

9b-hydroxy-2-(2-hydroxypropan-2-yl)-4,8-dimethyl-1h,2h-furo[3,2-f]isoquinolin-5-one

C16H19NO4 (289.1314014)


   

7-(3-aminopropyl)-10,11-dioxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid

7-(3-aminopropyl)-10,11-dioxo-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-6-carboxylic acid

C14H15N3O4 (289.106251)