Exact Mass: 225.084848

6-Benzylaminopurine (6-BAP), also known as N6-benzyladenine or cytokinin B, belongs to the class of organic compounds known as 6-alkylaminopurines. 6-Alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 6-Benzylaminopurine is a very strong basic compound (based on its pKa). Outside of the human body, 6-benzylaminopurine has been detected, but not quantified in, garden tomato (var.) and wild celeries. This could make 6-benzylaminopurine a potential biomarker for the consumption of these foods. 6-Benzylaminopurine is a synthetic cytokinin applied externally postharvest to maintain the quality, delay senescence, and improve the nutritional value of green vegetables (PMID: 22148319). 6-Benzylaminopurine, benzyl adenine or BAP is a first-generation synthetic cytokinin which elicits plant growth and development responses, setting blossoms and stimulating fruit richness by stimulating cell division. It is an inhibitor of respiratory kinase in plants, and increases post-harvest life of green vegetables. Cytokinin B is found in wild celery and garden tomato (variety). CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6963; ORIGINAL_PRECURSOR_SCAN_NO 6960 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3175; ORIGINAL_PRECURSOR_SCAN_NO 3173 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6962; ORIGINAL_PRECURSOR_SCAN_NO 6960 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6947; ORIGINAL_PRECURSOR_SCAN_NO 6945 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6966; ORIGINAL_PRECURSOR_SCAN_NO 6965 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6971; ORIGINAL_PRECURSOR_SCAN_NO 6967 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3236; ORIGINAL_PRECURSOR_SCAN_NO 3235 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6911; ORIGINAL_PRECURSOR_SCAN_NO 6907 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3181; ORIGINAL_PRECURSOR_SCAN_NO 3179 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3214; ORIGINAL_PRECURSOR_SCAN_NO 3213 CONFIDENCE standard compound; INTERNAL_ID 202; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3173; ORIGINAL_PRECURSOR_SCAN_NO 3171 D006133 - Growth Substances > D010937 - Plant Growth Regulators KEIO_ID B015; [MS2] KO008874 KEIO_ID B015 6-Benzylaminopurine (Benzyladenine) is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables[1]. 6-Benzylaminopurine is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables.

Aciclovir

2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-3H-purin-6-one

C8H11N5O3 (225.0861856)

Aciclovir is only found in individuals that have used or taken this drug. It is a guanosine analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes. [PubChem]Viral (HSV-1, HSV-2 and VZV) thymidine kinase converts aciclovir to the aciclovir monophosphate, which is then converted to the diphosphate by cellular guanylate kinase, and finally to the triphosphate by phosphoglycerate kinase, phosphoenolpyruvate carboxykinase, and pyruvate kinase. Aciclovir triphosphate competitively inhibits viral DNA polymerase and competes with the natural deoxyguanosine triphosphate, for incorporation into viral DNA. Once incorporated, aciclovir triphosphate inhibits DNA synthesis by acting as a chain terminator. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent KEIO_ID A071; [MS2] KO008862 KEIO_ID A071 Acyclovir (Aciclovir) is a potent, orally active antiviral agent. Acyclovir has antiherpetic activity with IC50 values of 0.85 μM and 0.86 μM for HSV-1 and HSV-2, respectively. Acyclovir induces cell cycle perturbation and apoptosis. Acyclovir prevents bacterial infections during induction therapy for acute leukaemia[1][2][3][4].

Murrayanine

1-Methoxy-9H-carbazole-3-carboxaldehyde, 9ci

Murrayanine is found in herbs and spices. Murrayanine is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Murrayanine is found in herbs and spices.

4-amino-4-deoxychorismate

(3R,4R)-4-amino-3-[(1-carboxyeth-1-en-1-yl)oxy]cyclohexa-1,5-diene-1-carboxylic acid

4-amino-4-deoxychorismate, also known as adc, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. 4-amino-4-deoxychorismate is soluble (in water) and a weakly acidic compound (based on its pKa). 4-amino-4-deoxychorismate can be found in a number of food items such as chives, narrowleaf cattail, green vegetables, and chicory leaves, which makes 4-amino-4-deoxychorismate a potential biomarker for the consumption of these food products. 4-amino-4-deoxychorismate exists in E.coli (prokaryote) and yeast (eukaryote).

4nitrostilbene

Benzene,1-nitro-4-[(1E)-2-phenylethenyl]-

Navenone A

2-Amino-2-deoxyisochorismate

(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid

Ethiofencarb

1-{2-[(ethylsulfanyl)methyl]phenoxy}-N-methylmethanimidic acid

CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8426; ORIGINAL_PRECURSOR_SCAN_NO 8421 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8413; ORIGINAL_PRECURSOR_SCAN_NO 8408 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8398; ORIGINAL_PRECURSOR_SCAN_NO 8394 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8358; ORIGINAL_PRECURSOR_SCAN_NO 8353 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8391; ORIGINAL_PRECURSOR_SCAN_NO 8387 CONFIDENCE standard compound; INTERNAL_ID 983; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8372; ORIGINAL_PRECURSOR_SCAN_NO 8370 Systemic agricultural insecticide. Ethiofencarb is used for control of aphids on hard and soft fruits, vegetables and sugar bee C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor

AZIPROTRYNE

C7H11N7S (225.07966059999998)

CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4792; ORIGINAL_PRECURSOR_SCAN_NO 4789 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4783; ORIGINAL_PRECURSOR_SCAN_NO 4779 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9142; ORIGINAL_PRECURSOR_SCAN_NO 9141 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4431; ORIGINAL_PRECURSOR_SCAN_NO 4429 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4771; ORIGINAL_PRECURSOR_SCAN_NO 4769 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9212; ORIGINAL_PRECURSOR_SCAN_NO 9210 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9192; ORIGINAL_PRECURSOR_SCAN_NO 9190 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4813; ORIGINAL_PRECURSOR_SCAN_NO 4812 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9238; ORIGINAL_PRECURSOR_SCAN_NO 9237 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4764; ORIGINAL_PRECURSOR_SCAN_NO 4762 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9168; ORIGINAL_PRECURSOR_SCAN_NO 9166 CONFIDENCE standard compound; INTERNAL_ID 849; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9215; ORIGINAL_PRECURSOR_SCAN_NO 9214

1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol

alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol

alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol is considered to be slightly soluble (in water) and relatively neutral

Nnal-N-oxide

3-{1-hydroxy-4-[methyl(nitroso)amino]butyl}-1lambda5-pyridin-1-one

Nnal-n-oxide belongs to the family of Pyridines and Derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.

N-Chloroacetyl-2,6-diethylaniline

2-chloro-N-(2,6-Diethylphenyl)-acetamide

Soil degradation production of Alachlor DKW79-G. Soil degradation produced of Alachlor DKW79-G.

Mesurol

4-Methylmercapto-3,5-dimethylphenyl N-methylcarbamic acid

C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D008975 - Molluscacides CONFIDENCE standard compound; INTERNAL_ID 2580 CONFIDENCE standard compound; INTERNAL_ID 4057 CONFIDENCE standard compound; INTERNAL_ID 8433 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

4-Amino-4-deoxyprephenic acid

2-[2-(4-Pyridinyl)-1-butenyl]phenol

1-Hydroxy-10-methylacridone

InChI=1/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H

1-Hydroxy-10-methylacridone is found in herbs and spices. 1-Hydroxy-10-methylacridone is an alkaloid from the roots of Ruta graveolens (rue). Also isolated from the callus cultures obtained from the meristematic cells of Ruta graveolens. 1-Hydroxy-10-methylacridone is a member of acridines. It is functionally related to an acridone. 1-Hydroxy-10-methylacridone is a natural product found in Boronia lanceolata, Ruta graveolens, and other organisms with data available. Alkaloid from the roots of Ruta graveolens (rue)and is also isolated from the callus cultures obtained from the meristematic cells of Ruta graveolens. 1-Hydroxy-10-methylacridone is found in herbs and spices.

2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one

2-hydroxy-4,7-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products. 2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one is isolated from sweet corn (Zea mays). Isolated from sweet corn (Zea mays). (R)-2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and fats and oils.

Mukolidine

8-Methoxy-9H-carbazole-3-carboxaldehyde, 9ci

Mukolidine is found in herbs and spices. Minor alkaloid from roots of Murraya koenigii (curryleaf tree). Minor alkaloid from roots of Murraya koenigii (curryleaf tree). Mukolidine is found in herbs and spices.

Vanilloylglycine

2-{[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}acetic acid

Vanilloylglycine (CAS# 1212-04-0), also known as N-Vanilloylglycine, is a non-phenolic metabolite. In human studies, Vanilloylglycine has been detected in urines of individuals consuming cocoa powder dissolved in milk. (Pheno-Explorer) A polyphenol metabolite detected in biological fluids [PhenolExplorer]

6-Methoxy-9H-carbazole-3-carboxaldehyde

8-Methoxy-2-carbazolecarboxaldehyde (obsol.)

6-Methoxy-9H-carbazole-3-carboxaldehyde is found in fruits. 6-Methoxy-9H-carbazole-3-carboxaldehyde is an alkaloid from the roots of Clausena lansium (wampee). Alkaloid from the roots of Clausena lansium (wampee). 6-Methoxy-9H-carbazole-3-carboxaldehyde is found in fruits.

Methyl 3-carbazolecarboxylate

Methyl 9H-carbazole-3-carboxylic acid

Methyl 3-carbazolecarboxylate is found in fruits. Methyl 3-carbazolecarboxylate is an alkaloid from the roots of Clausena lansium (wampee

(+)-2-Amino-7-phosphonoheptanoic acid

2-Amino-7-phosphonoheptanoic acid, (+-)-isomer

C7H16NO5P (225.0766056)

D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

2,2'-Anhydrocytidine

4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-5-ol

2-Methyl-6-phenyl-3,7-dihydroimidazo[1,2-a]pyrazin-3-one

2-Methyl-6-phenyl-3,7-dihydroimidazo(1,2-a)pyrazin-3-one

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents

Drometrizole

2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenol

C8H12N5OP (225.07794319999996)

9-[2-(Phosphanylmethoxy)ethyl]purin-6-amine

9-[2-(phosphanylmethoxy)ethyl]-9H-purin-6-amine

6-Acryloyl-2-dimethylaminonaphthalene

1-[6-(dimethylamino)naphthalen-2-yl]prop-2-en-1-one

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

6-Aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide

6-Aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide hydrochloride

3-Aminopropyl(diethoxymethyl)phosphinic acid

p-(3-Aminopropyl)-p-diethoxymethylphosphinic acid

C8H20NO4P (225.112989)

D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists CGP 35348?is a selective, brain penetrant, centrally active GABAB receptor antagonist with an EC50 of 34 μM.?CGP 35348 shows affinity for the GABAB receptor only[1]. CGP 35348 has a potential to improve neuromuscular coordination and spatial learning in albino mouse following neonatal brain damage[2].

Hydroxy Tyrosol -Acetate

4-(2-amino-3,3-dihydroxypropyl)phenyl acetate

C7H15NO5S (225.06708999999998)

2-Hydroxy-3-morpholinopropanesulfonic Acid

2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

Imidazo(1,2-a)pyrazin-3(7H)-one, 2-methyl-7-phenyl-

2-Methyl-6-phenyl-3,7-dihydroimidazo(1,2-a)pyrazin-3-one

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents

N-Methyl-beta-carboline-3-carboxamide

N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants FG 7142 (ZK 39106; LSU-65), a non-selectively benzodiazepine inverse agonist, has high affinity for the α1 subunit-containing GABAA receptor (Ki=91 nM). FG 7142 (ZK 39106; LSU-65) also modulates GABA-induced chloride flux at GABAA receptors expressing the α1 subunit (EC50= 137 nM). FG 7142 (ZK 39106; LSU-65) can increase tyrosine hydroxylation and cause upregulation of?β-adrenoceptors in mouse cerebral cortex[1].

4-(4-(Chloromethyl)phenyl)morpholin-3-one

4-[4-(chloromethyl)phenyl]morpholin-3-one

C6H15N3O4S (225.07832299999998)

Galegine

N-(3-Methylbut-2-en-1-yl)guanidine; sulphuric acid

Galegine is a member of the class of compounds known as organic sulfuric acids. Organic sulfuric acids are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH. Galegine is a bitter tasting compound found in tea, which makes galegine a potential biomarker for the consumption of this food product. Galegine is the compound with the formula HNC(NH2)2. It is a colourless solid that dissolves in polar solvents. It is a strong base that is used in the production of plastics and explosives. It is found in urine as a normal product of protein metabolism. Galegine is the functional group on the side chain of arginine .

Drometrizole

2-(benzotriazol-2-yl)-4-methylphenol

C13H11N3O (225.0902076)

Drometrizole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2440-22-4 (retrieved 2024-09-27) (CAS RN: 2440-22-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

METHIOCARB

C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D008975 - Molluscacides D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 2937

1,3-dimethyl-6-morpholino-2,4(1H,3H)-pyrimidinedione

Oprea1_579298

C9H15N5S (225.104811)

4-(DIMETHYLAMINO)BENZOPHENONE

Maybridge4_001352

1-(4-chlorophenyl)-2-(isopropylamino)-propan-1-one

Flufenacet OXA

Flufenacet oxalate

CONFIDENCE standard compound; EAWAG_UCHEM_ID 664 CONFIDENCE standard compound; INTERNAL_ID 2055

2,2-Anhydrocytidine

N-Phenethylbenzamide

8-methyl-5H-[1,3]dioxolo[4,5-b]carbazole|clausenalene

Clauszoline K

5-(2-Amino-2-carboxyethyl)-2-hydroxybenzoic acid

MLS002638408

CHEMBL355660

Destomic acid

C7H15NO7 (225.084848)

Macrorungin

ZINC254294426

(9-ethyl-9H-carbazol-3-yl)methanol

2-Formylbenzanilide

N-(7-Hydroxy-9H-fluoren-2-yl)formamide

2-amino-3-(3,4-dimethoxyphenyl)propanoic acid

2,5-Dioxo-3-isopropyl-1H-pyrrole-1-propanoic acid methyl ester

CHEMBL3358807

5H-Indeno[1,2-b]pyridin-5-one, 8-methoxy-4-methyl-

8-Methoxyonychine

2-(indol-3-yl)acetylfuran

N-(5-Hydroxy-9H-fluoren-2-yl)formamide

C1(=CC=CC=C1)CC(=CCO)C1=NC=CC=C1

4-Methyl-7-methoxy-5H-indeno[1,2-b]pyridine-5-one

glycosinine

strychnovoline

Acetic acid [2-methyl-3-hydroxy-4-(methoxymethyl)pyridine-5-yl]methyl ester

riparin A

Benzamide, N-(2-phenylethyl)- (9CI)

N-phenethylbenzamide is a natural product found in Haplophyllum tuberculatum with data available.

Cyclocytidine

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.050 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.049 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.048

(2R)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]propanoic acid

NCGC00381380-01!(2R)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]propanoic acid

Propotox

Pesticide2_Ethiofencarb_C11H15NO2S_Phenol, 2-[(ethylthio)methyl]-, methylcarbamate

C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor

acyclovir

C8H11N5O3 (225.0861856)

J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; INTERNAL_ID 2780 Acyclovir (Aciclovir) is a potent, orally active antiviral agent. Acyclovir has antiherpetic activity with IC50 values of 0.85 μM and 0.86 μM for HSV-1 and HSV-2, respectively. Acyclovir induces cell cycle perturbation and apoptosis. Acyclovir prevents bacterial infections during induction therapy for acute leukaemia[1][2][3][4].

HDMBOA (not validated, isomer of 871)

Annotation level-3

HDMBOA (not validated, isomer of 868)

Annotation level-3

N-Methyl-2,2-diphenylacetamide

N-methyl-alpha-phenylbenzeneacetamide

CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8347; ORIGINAL_PRECURSOR_SCAN_NO 8345 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8352; ORIGINAL_PRECURSOR_SCAN_NO 8350 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8357; ORIGINAL_PRECURSOR_SCAN_NO 8353 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8389; ORIGINAL_PRECURSOR_SCAN_NO 8388 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8406; ORIGINAL_PRECURSOR_SCAN_NO 8404 CONFIDENCE standard compound; INTERNAL_ID 1115; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8401; ORIGINAL_PRECURSOR_SCAN_NO 8400

1,N6-Benzoquinone-adenine

C11H7N5O1 (225.0650572)

Benzyladenine

6-benzylaminopurine

D006133 - Growth Substances > D010937 - Plant Growth Regulators 6-Benzylaminopurine (Benzyladenine) is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables[1]. 6-Benzylaminopurine is the first cytokinin that causes plant growth and development by stimulating cell division and inhibiting respiratory kinases, thereby prolonging the preservation of green vegetables.

L-4-Hydroxy-3-methoxy-a-methylphenylalanine

ancitabine

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

Methyl 3-carbazolecarboxylate

methyl 9H-carbazole-3-carboxylate

n-chloroacetyl-2,6-diethylaniline

2-Chloro-2',6'-diethylacetanilide

1-Hydroxy-N-methylacridone

1-HYDROXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE

HDMBOA

2-hydroxy-4,7-dimethoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one

3-Formyl-6-methoxycarbazole

8-Methoxy-2-carbazolecarboxaldehyde (obsol.)

Mukolidine

8-Methoxy-9H-carbazole-3-carboxaldehyde, 9ci

Butanamide,N-(5-chloro-2-methylphenyl)-3-oxo-

2-METHOXY-PHENAZIN-1-YLAMINE

4-(4-Methoxyphenoxy)benzenecarbonitrile

1-O-tert-butyl 3-O-methyl pyrrole-1,3-dicarboxylate

1-(3-HYDROXYPHENYL)-2-THIOUREA

2-[4-(2,3-Dihydroxypropoxy)phenyl]acetamide

9-Benzyladenine

ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE

Methanone,(2-chlorophenyl)-4-morpholinyl-

2-Propanone,1,3-diphenyl-, oxime

2-(3-aminophenyl)-1,3-benzoxazol-5-amine

2-(3-aminophenyl)-1,3-benzoxazol-6-amine

CHEMBRDG-BB 5703001

3-Fluoro-4-morpholinobenzoic Acid

Phenol,2-[1-[(phenylmethyl)imino]ethyl]-

7-METHYL-2-PHENYLIMIDAZO[1,2-A]PYRIMIDIN-5-OL

3-[bis(2-hydroxyethyl)amino]benzoic acid

2-METHYL-6-PHENYLBENZO[D]THIAZOLE

2-Methyl-N-(3-methylphenyl)benzamide

3-acetamido-3-(4-fluorophenyl)propanoic acid

4-AMINO-6-FLUORO-2-METHYLCHROMAN-4-CARBOXYLIC ACID

Methyl 2-methoxy-4-methyl-5-nitrobenzoate

N-(4-(2-CHLOROACETYL)BENZYL)ACETAMIDE

7,9-Dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one hydrochloride

9H-CARBAZOL-3-YLACETIC ACID

5-Benzyloxy-1H-pyrazolo[4,3-b]pyridine

Phenanthrene,9,10-dihydro-2-nitro-

2-CarboxyMethyl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

N-Acetyl-3-fluorophenylalanine

3-Chloro-4-(4-methylpiperazin-1-yl)benzenamine

N-(4-Butylphenyl)-2-chloroacetamide

3-cyclopropyl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

2-CHLORO-4-(PYRROLIDIN-1-YL)BENZOIC ACID

ETHYL 2-((ETHOXYCARBONYL)METHYL)-1H-PYRROLE-3-CARBOXYLATE

4-(2-Chloro-5-(trifluoromethyl)phenyl)benzaldehyde

C14H8FNO (225.05898899999997)

Ethyl 5-acetyl-7-oxo-5-azaspiro[2.4]heptane-6-carboxylate

3-(1,1-dimethylethyl)dihydro-1,5-dioxo-(3R,7aR)-1H,3H-Pyrrolo[1,2-c]oxazole-7a(5H)-carboxaldehyde

(2r,3r)-tartranilic acid

(R)-N-(2-AMINO-4,5,6,7-TETRAHYDROBENZO[D]THIAZOL-6-YL)PROPIONAMIDE

2-CHLORO-1-(6-METHOXYINDOLIN-1-YL)ETHANONE

7-(2,5-dioxopyrrol-1-yl)heptanoic acid

1H-Inden-1-one, 2,3,3a,6,7,7a-hexahydro-3a-hydroxy-7a-methyl-5-(nitromethyl)-, (3aS,7aS)- (9CI)

1-[2-(4-Chlorophenoxy)ethyl]pyrrolidine

2[(2-AMINOETHYL)AMINO]-3-NITROBENZOIC ACID

5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7(4h)-one

2-chloro-n-(1-phenylbutyl)acetamide

4-Propoxy-3-nitrobenzoic acid

C10H18MnO2 (225.06871880000003)

2-[(Dimethylamino)methylene]amino-6-methyl-5-nitro-4-pyrimidinol

C8H11N5O3 (225.0861856)

Cyclohexanebutanoicacid, manganese(2+) salt (2:1)

Ethyl 4-methoxy-2-nitrobenzoate

2-(METHYLTHIO)-[1,1-BIPHENYL]-2-CARBONITRILE

4-(METHYLTHIO)-[1,1-BIPHENYL]-2-CARBONITRILE

4-(METHYLTHIO)-[1,1-BIPHENYL]-3-CARBONITRILE

3-AMINO-3-(3-METHOXYMETHOXY-PHENYL)-PROPIONIC ACID

3-AMINO-3-(3-ETHOXY-4-HYDROXY-PHENYL)-PROPIONIC ACID

1-(2-Furylcarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic acid

1-(Phenoxymethyl)-1H-benzotriazole

2-isocyanato-1-methoxy-4-phenylbenzene

S-(4-Methylbenzyl)-L-cysteine

AKOS B013938

1-(2-(CHLOROMETHYL)-5-PHENYLFURAN-3-YL)ETHANONE

C8H10F3NO3 (225.0612746)

D-Aspartic Acid 1-(1,1-Dimethylethyl) Ester

L-Aspartic acid diethyl ester hydrochloride

4-[[2-(chloromethyl)phenyl]methyl]morpholine

ethyl 2-amino-4,5-dimethoxybenzoate

6-Amino-2-(4-aminophenyl)benzoxazole

2-benzoylbenzamide

1-[(4-Methylphenyl)sulfonyl]pyrrolidine

1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 4-ethyl ester

3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid

8-HYDROXY-2-METHYL-4-(1H-PYRAZOL-1-YL)QUINOLINE

N-(3-CHLORO-4-METHYL-PHENYL)-3-OXO-BUTYRAMIDE

7-(BENZYLOXY)INDOLINE

tert-butyl 2-(1,3-thiazol-4-ylmethyl)prop-2-enoate

1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

1-(4-methylphenyl)-2-pyridin-3-ylethane-1,2-dione

5,6,7,8-TETRAHYDRO-4H-THIENO[2,3-D]AZEPINE-2-CARBOXYLIC ACID, ETHYL ESTER

2-(3-(4-Chlorophenyl)pyrrolidin-3-yl)ethanol

N,3,5-Trimethoxy-N-methylbenzamide

1-isocyanato-2-(phenoxymethyl)benzene

(2-Fluoro-5-(isopropylcarbamoyl)phenyl)boronic acid

(3-FLUORO-4-(ISOPROPYLCARBAMOYL)PHENYL)BORONIC ACID

(3-Fluoro-4-(propylcarbamoyl)phenyl)boronic acid

Methanone,(4-chlorophenyl)-4-morpholinyl-

n-acetyl-2-fluoro-dl-phenylalanine

2-Acetamido-3-(2-fluorophenyl)propanoic acid

2-[2-(hydroxymethyl)phenoxy]benzonitrile

Ethyl 5,6-difluoro-1H-indole-2-carboxylate

C11H9F2NO2 (225.0601318)

Benzamide,4-methyl-N-(phenylmethyl)-

5-AMINO-3-(3-METHOXYPHENYL)PYRAZOLE HYDROCHLORIDE

tert-Butyl 5-methoxypyridin-3-yl carbonate

2-Bromo-5-iodopyridin-3-amine

6-((TRIMETHYLSILYL)ETHYNYL)ISOQUINOLINE

C14H15NSi (225.097371)

1-Benzyl-3,3-difluoro-4-piperidinone

C12H13F2NO (225.0965152)

Methyl1-BOC-pyrrole-2-carboxylate

N-(2-AMINO-4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-6-YL)-PROPIONAMIDE

3-Methoxy-O-methyltyrosine

O-tert-Butyl-L-threonine methyl ester hydrochloride

C9H20ClNO3 (225.113164)

3-nitroadamantane-1-carboxylic acid

C10H13BClNO2 (225.07278180000003)

3-Chloro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine

1-(2,4-Difluorophenyl)-1-(4-piperidinyl) methanone

C12H13F2NO (225.0965152)

(2S)-2-(CHLOROMETHYL)-4-(PHENYLMETHYL)MORPHOLINE

TERT-BUTYL (4-HYDROXYPYRIMIDIN-2-YL)METHYLCARBAMATE

3-Methoxyacridin-9-One

2,2-dimethylbenzanilide

ethyl 6-fluoro-3,4-dihydro-2h-1,4-benzoxazine-2-carboxylate

1,1,1-Tris(aminomethyl)ethane trihydrochloride,Ethylidintris(methylamine) trihydrochloride

C5H18Cl3N3 (225.0566238)

n,3,4-trimethoxy-n-methylbenzamide

1-cyclopropyl-2,4-dioxopiperidine-3-carboxylic acid ethyl ester

(3-Fluoro-5-(propylcarbamoyl)phenyl)boronic acid

A812511

(S)-2-Amino-3-(3,4-dimethoxyphenyl)propionic acid

4-(5-amino-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,5-dien-1-one

2-p-tolyl-benzothiazole

Ethyl 2-cyano-2-(2,6-difluorophenyl)acetate

C11H9F2NO2 (225.0601318)

2-(3-(CHLOROMETHYL)PIPERIDIN-1-YL)-6-METHYLPYRAZINE

Diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate

4H-1,3-Benzoxazin-4-one,2,3-dihydro-2-phenyl-

(4-Fluoro-3-(isopropylcarbamoyl)phenyl)boronic acid

Methyl 9H-carbazole-2-carboxylate

3-PHENOXYBENZALDEHYDE CYANOHYDRIN

(S)-1-(1H-BENZIMIDAZOL-2-YL)-2-METHYLPROPYLAMINE HYDROCHLORIDE

5-METHYL-2-PHENYL-PYRAZOLO[1,5-A]PYRIMIDIN-7-OL

C9H14F3NO2 (225.09765800000002)

3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanoic acid

ethyl 2-cyclopentyl-1,3-thiazole-4-carboxylate

trimethyl(2-quinolin-2-ylethynyl)silane

C14H15NSi (225.097371)

2-Butyl-benzofuran-5-ylamine hydrochloride

4-Chloromethyl-N,N-diethylbenzamide

1-cyclopropyl-4-isothiocyanatonaphthalene

(4-CHLORO-BENZYL)-(TETRAHYDRO-FURAN-2-YLMETHYL)-AMINE

3,4-METHYLENEDIOXYBENZYLIDENE ANILINE

3-(4-CHLORO-2-AMINOPHENYL)ACRYLIC ACID ETHYL ESTER

9H-xanthene-9-carboxamide

4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINAMINE

CHEMBRDG-BB 9070616

(4-Fluoro-3-(propylcarbamoyl)phenyl)boronic acid

(3-MORPHOLINOPHENYL)METHYLAMINE

Acetic acid,2-(4-nitrophenoxy)-, ethyl ester

N-[4-(2-chloropropanoyl)phenyl]acetamide

2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one monohydrochloride

N-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride

(3,4-DICHLORO-PHENYL)-(4,5-DIHYDRO-THIAZOL-2-YL)-AMINE

C12H13F2NO (225.0965152)

{[(Benzyloxy)carbonyl]amino}(hydroxy)acetic acid

8-HYDROXY-4-(1H-IMIDAZOL-YL)-2-METHYLQUINOLINE

(4-Amino-2-nitrophenyl)carbamic acid ethyl ester

3,6-Diamino-9(10H)-acridone

4-[(Trimethylsilyl)ethynyl]quinoline

C14H15NSi (225.097371)

ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate

2-Methyl-5-phenylbenzothiazole

4-benzyloxyphenyl isocyanate

3-Chloro-2-(4-methyl-piperazin-1-yl)-phenylamine

3-amino-3-(3,5-dimethoxyphenyl)propanoic acid

1-(2-Amino-3,4,5-trimethoxyphenyl)ethanone

(2-CHLORO-BENZYL)-(TETRAHYDRO-FURAN-2-YLMETHYL)-AMINE

(S)-4-BENZYL-3-(CHLOROMETHYL)MORPHOLINE

2-Acetoxymethyl-5-hydroxymethyl-4-methoxy-3-methylpyridine

4-Phenyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-one

2-Methoxy-O-methyltyrosine

4-CHLORO-N-(2,6-DIMETHYL-PHENYL)-BUTYRAMIDE

2-chloro-n,n-diethyl-2-phenylacetamide

Benzothiazole, 6-methyl-2-phenyl- (6CI,7CI,8CI,9CI)

2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]acetamide

(R)-2-acetaMido-2-(2-fluorophenyl)propanoic acid

3H-Spiro[isobenzofuran-1,4-piperidine] hydrochloride

2-(4-NITRO-PHENOXYMETHYL)-[1,3]DIOXOLANE

1H-2-Benzothiopyran-4-amine,6-ethyl-3,4-dihydro-,2,2-dioxide,(4R)-(9CI)

3H-Purin-6-amine,3-(phenylmethyl)-

4-((1H-BENZO[D]IMIDAZOL-6-YL)OXY)ANILINE

4-Benzyl-3-(chloromethyl)morpholine

4-FURAN-3-YL-7-HYDROXYMETHYLQUINOLINE

9-METHYL-9H-CARBAZOLE-3-CARBOXYLIC ACID

methyl 3-amino-4-cyano-5-(dimethylamino)thiophene-2-carboxylate

N-(3-Chloro-o-tolyl)-3-oxobutyramide

TER14687

1-[(6-chloropyridin-3-yl)methyl]-4-methylpiperazine

2-[4-(CHLOROMETHYL)PIPERIDINO]-6-METHYLPYRAZINE

2-HYDROXY-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE

N-(1,3-Dioxo-2,8-diazaspiro[4.5]dec-2-yl)acetamide

Methyl 8-hydroxy-2-oxo-1-azaspiro[4.5]dec-7-ene-7-carboxylate

Thiazolidine, 2-((2-methoxyphenoxy)methyl)-

Methyl 2-amino-5-ethoxy-4-methoxybenzoate

4-IMIDAZO[1,2-A]PYRIMIDIN-2-YLPHENYL METHYL ETHER

N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine,hydrochloride

(3S,4R)-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid

2-chloro-4-(4-methylpiperazin-1-yl)aniline

4-[2-(Methoxycarbonyl)hydrazino]-3-pyridinecarboxylic acid methyl ester

1-(4-CHLORO-BENZYL)-AZETIDINE-3-CARBOXYLIC ACID

2-(4-Methyl-2-nitrophenoxy)acetohydrazide

2-(3-Methyl-4-nitrophenoxy)acetohydrazide

2-(4-NITROPHENOXY)PROPANOHYDRAZIDE

2-(2-nitrophenoxy)propanehydrazide

N-(3-CHLORO-PHENYL)-3-ETHOXY-ACRYLAMIDE

AKOS B013834

4-CHLORO-6-PIPERIDINO-5-PYRIMIDINECARBALDEHYDE

N-Methyl-N-phenyl-9H-purin-6-amine

d-cysteine(mbzl)-oh

(R)-3-Amino-3-(3,5-dimethoxy-phenyl)-propionic acid

3-Amino-3-(2,5-dimethoxyphenyl)propanoic acid

3-Chloro-4-morpholinobenzaldehyde

3-Fluoro-4-morpholinophenylboronic Acid

C9H8FN3O3 (225.05496699999998)

5-Ethoxy-4-fluoro-3-nitro-1H-pyrrolo[2,3-b]pyridine

4-(3-Chlorobenzoyl)morpholine

(S)-2-HYDROXY-2-(3-PHENOXYPHENYL)ACETONITRILE

(R)-3-AMINO-3-(2-METHYL-PHENYL)-PROPIONICACID

4-Benzoyl Piperidine HCL

4-benzylthiomorpholine 1,1-dioxide

1-BENZYLPIPERIDIN-4-ONE HYDROCHLORIDE

4-METHOXYACRIDIN-9-OL

4-(3,4-METHYLENEDIOXYBENZYL)-3-THIOSEMICARBAZIDE

CHEMBRDG-BB 7246527

4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid

Benzyl (1,3-dihydroxy-2-propanyl)carbamate

6-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

5-(1-piperidylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

4-Phenoxy-1H-indazol-3-ylamine

1-(3-Benzyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride (1:1)

4-Fluoro-5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-amine

C10H12FN3O2 (225.0913504)

1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid

9-methylpyrido[3,4-b]indole-3-carboxamide

Thiourea,N-methyl-N-(2-methyl-5-nitrophenyl)-

4-Benzyl-2-(chloromethyl)morpholine

(R)-4-Benzyl-3-(chloromethyl)morpholine

2-(1-TRIFLUOROMETHYL-2-NITROETHYL)CYCLOPENTANONE

C8H10F3NO3 (225.0612746)

2-pentylsulfanylpyridine-3-carboxylic acid

5-METHYL-3-PHENYL-4-(1H-PYRAZOL-5-YL)ISOXAZOLE

(2R)-2-(CHLOROMETHYL)-4-(PHENYLMETHYL)MORPHOLINE

benzhydryl isothiocyanate

N-(3-Chloro-2-methylphenyl)-2,2-dimethylpropanamide

AKOS B013835

5-Amino-2-(4-aminophenyl)benzoxazole

methyl 3-methoxy-4-methyl-2-nitrobenzoate

5-Fluoro-2-morpholinobenzoic Acid

2-Fluoro-4-(4-morpholinyl)benzoic acid

(S)-2-Amino-3-(3,4-Dimethoxy-Phenyl)-Propionic Acid

1-[(4-Hydrazinophenyl)methyl]-1H-1,2,4-triazole hydrochloride

C9H12ClN5 (225.0781182)

D-AP7

C7H16NO5P (225.0766056)

(2S)-2-amino-7-phosphonoheptanoic acid

C7H16NO5P (225.0766056)

TERT-BUTYL (5-(HYDROXYMETHYL)PYRAZIN-2-YL)CARBAMATE

4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one

2-BENZYLPIPERIDIN-4-ONE HYDROCHLORIDE

4-(2-hydroxyethylamino)-3-nitrobenzamide

(6S)-2-Amino-6-propionamidotetrahydrobenzothiazole

1H-Indole-3-butanoic acid monosodium salt

C12H12NNaO2 (225.0765692)

n-(4-acetylphenyl)-3-chloropropanamide

carbazol-9-yl-acetic acid

(2S,3S)-(-)-TARTRANILIC ACID

1-(4,5-Dimethoxy-2-nitrophenyl)ethanone

(2R,3R,4S,5R)-2,3,4,5,6-PENTAHYDROXYHEXANOICACID

2-amino-4,5-diethoxybenzoic acid

1-(2-Fluoro-4-nitrophenyl)piperazine

C10H12FN3O2 (225.0913504)

3-(Carboxymethylaminomethyl)-4-hydroxybenzoic acid

3-[(carboxymethylamino)methyl]-4-hydroxybenzoic acid

7-METHYL-5-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-2-OL

2-(O-TOLYL)BENZOTHIAZOLE

3-Amino-3-(2,3-dimethoxyphenyl)propanoic acid

4-(2-Carboxy-Ethyl)-2-Methyl-1H-Pyrrole-3-Carboxylic Acid Ethyl Ester

1-(4-Fluoro-2-nitrophenyl)piperazine

C10H12FN3O2 (225.0913504)

BENZYL-(1,1-DIOXO-TETRAHYDRO-1-THIOPHEN-3-YL)-AMINE

(S)-2-(5-CHLORO-2-METHOXYPHENYL)PIPERIDINE

C10H8ClD3N4 (225.08605113399997)

Acetamiprid D3

1-(3-chlorobenzyl)piperidin-3-ol

Ac-D-Phe(3-F)-OH

n-acetyl-4-fluoro-dl-phenylalanine

3-Chloro-4-pyrrolidinobenzoic Acid

alpha-Hydroxy-3-phenoxybenzeneacetonitrile

n-(benzloxycarbonyl)-3-amino-1 2-

2-[N-methyl-4-(methylamino)-3-nitroanilino]ethanol

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

C10H16BNO2S (225.0994746)

2-CHLORO-N-3,4-DIHYDRO-2H-CHROMEN-4-YLACETAMIDE

6-P-TOLYLFURO[2,3-D]PYRIMIDIN-4-AMINE

C8H16ClNO2S (225.05902260000002)

ethyl 3-(chlorosulfanyl-propan-2-yl-amino)propanoate

4-HYDROXY-3-NITRO-5-PROPOXY-BENZALDEHYDE

(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid

1,2-Ethanedione,1,2-diphenyl-, 1-oxime

(2-Fluoro-5-(propylcarbamoyl)phenyl)boronic acid

1H-Pyrazolo[3,4-d]pyrimidin-4-amine,N-(phenylmethyl)-

4-CHLORO-6-ETHYL-2-(1-PIPERIDINYL)PYRIMIDINE

3-AMINO-3-(2,3-DIMETHOXY-PHENYL)-PROPIONIC ACID

4-(3-Chloro-4-methylphenyl)piperidin-4-ol

TERT-BUTYL (4-CYANOTHIAZOL-2-YL)CARBAMATE

(3-fluoro-5-morpholino-phenyl)boronic acid

N,N-DIMETHYL-1H-BENZO[D]IMIDAZOLE-1-SULFONAMIDE

2-Amino-6-(propylamino)-5,6-dihydrobenzo[d]thiazol-7(4H)-one

C9H14F3NO2 (225.09765800000002)

Ethyl 5,7-difluoro-1H-indole-2-carboxylate

C11H9F2NO2 (225.0601318)

4-methylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C9H15N5S (225.104811)

tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate

3-(4-methoxy-1-naphthyl)-3-oxopropanenitrile

4-((2-Chloroethyl)ethylamino)-o-tolualdehyde

s-butyrylthiocholine chloride

C9H20ClNOS (225.095406)

EMCH

N1-(1,1-DIOXO-1H-1LAMBDA6-BENZO[D]ISOTHIAZOL-3-YL)-ETHANE-1,2-DIAMINE

australine hydrochloride

3-methyl-5-morpholin-4-ylmethyl-furan-2-carboxylic acid

2-methyl-2-(4-nitrophenoxy)propanoic acid

N-(2-acetylphenyl)-3-chloropropanamide

N-(2-Chloro-6-methyl-phenyl)-3-oxo-butyramide

4-Chloro-2-methylacetoacetanilide

4-AMINO-2-BENZYL-2H-PYRAZOLO[3,4-D]PYRIMIDINE

4-(2-Chloro-5-methylphenoxy)piperidine

2-Chloro-4-morpholinobenzaldehyde

4-(4-Amino-2-chlorophenyl)piperazin-2-one

N-(4-tert-butylphenyl)-2-chloroacetamide

[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamine hydrochloride

3-(6-Amino-1H-benzimidazol-2-yl)phenol

(R)-1-(1H-BENZIMIDAZOL-2-YL)-2-METHYLPROPYLAMINE HYDROCHLORIDE

H-D-Asp(OEt)-OEt.HCl

1-(3,4-Dimethoxy-2-nitrophenyl)ethanone

3-Methyl-1H-pyrrole-2,5-dicarboxylic acid diethyl ester

Etilevodopa

C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent

Ingavirin

J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent C26170 - Protective Agent

N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

3-hydroxy-O,5-dimethyl-L-tyrosine

An L-tyrosine derivative that is O-methyl-L-tyrosine carrying additional hydroxy and methyl substituents at positions 3 and 5 respectively.

Ethyl 2-(2-nitrophenoxy)acetate

Mephenesin carbamate

1-methoxy-10H-acridin-9-one

Madurastatin B2

N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholin-4-yl)acetamide

2-Pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one

N-(3-Hydroxy-4-methoxybenzoyl)glycine

N-(2-Hydroxy-4-methoxyphenyl)malonamidic acid

N-Isopropyl-2,4-dinitroaniline

2,4-Dinitro-n-propylaniline

C10H15NO3Si (225.08211599999998)

Silane, trimethyl[(4-nitrophenyl)methoxy]-

1-Amino-4-methoxyphenazine

C10H15NO3Si (225.08211599999998)

Silane, trimethyl[(2-nitrophenyl)methoxy]-

1-(Aminocarbonyl)-5(10H)-phenazinyl

3-Methoxy-1-phenazinamine

Furoyl-leucine

[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]methylphosphinate

C11H14O3P- (225.0680524)

TV-1203

(2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid ethyl ester

C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent

Hydroxy Tyrosol -Acetate

4-(2-amino-3,3-dihydroxypropyl)phenyl acetate

(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate

C10H13N2O4- (225.0875278)

Porphobilinogen(1-)

C10H13N2O4- (225.0875278)

Conjugate base of porphobilinogen arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

12-Hydroxyjasmonate

A 5-oxo monocarboxylic acid anion that is the conjugate base of 12-hydroxyjasmonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

3-Hydroxy-5-methyl-o-methyltyrosine

5,10-Dihydrophenazine-1-carboxylate

C13H9N2O2- (225.0663994)

A monocarboxylic acid anion that is the conjugate base of 5,10-dihydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

(10aS)-10,10a-Dihydrophenazine-1-carboxylate

C13H9N2O2- (225.0663994)

Tuberonate

A 5-oxo monocarboxylic acid anion that is the conjugate base of tuberonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

An 11-hydroxyjasmonate

{2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate

Hydroxyporphobilinogen

C10H11NO5-2 (225.0637196)

trans-11-Hydroxyjasmonate

C6H15N3O4S (225.07832299999998)

Galegine sulfate

(3-Methyl-2-butenyl)guanidine sulfate

1-(3-Amino-3-carboxypropyl)pyridin-1-ium-3-carboxylic acid

C10H13N2O4+ (225.0875278)

3-Methoxy-alpha-methyl-L-tyrosine

4-Methyl-3-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-6-one

(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one

2-(4-Fluorophenyl)-8-methylindolizine

C15H12FN (225.0953724)

Carnosinate

C9H13N4O3- (225.0987608)

An N-acyl-L-alpha-amino acid anion that is the conjugate base of carnosine, obtained by deprotonation of the carboxy group.

Peniginseng B

3,4-Didehydro-3-deoxycytidine

2-(2-hydroxyethylthio)-N-(2-methylphenyl)acetamide

6-Propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

(2R,3R,3aS)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol

4-(3-Nitropyridin-2-yl)thiomorpholine

2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one

2-[(2-Hydroxy-4-methoxybenzoyl)amino]acetic acid

(2XI)-D-gluco-heptonate

C7H13O8- (225.0610398)

N-prop-2-enyl-5H-pyrimido[5,4-b]indol-3-ium-4-amine

C13H13N4+ (225.1140158)

2-[(3-Hydroxy-5-methoxybenzoyl)amino]acetic acid

1-Methyl-3-(phenylsulfonyl)pyrrolidine

3H,4H-3-Benzylpyrro(1,2-D)(1,2,4)triazin-4-one

C11H16ClNSi (225.07404859999997)

N-(Chloromethyldimethylsilyl)indoline

Murrayanine

A natural product found in Clausena harmandiana.

4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol

(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid

alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol

4-Amino-4-deoxychorismate

4-Amino-4-deoxychorismic acid

A dicarboxylic acid comprising chorismic acid having its 4-hydroxy group replaced by an amino group.

FG 7142

N-Methyl-beta-carboline-3-carboxamide

6-methoxy-9H-carbazole-3-carbaldehyde

C7H15NO5S (225.06708999999998)

2-Hydroxy-3-morpholinopropanesulfonic Acid

Vanilloylglycine

2-Hydroxy-4,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one

4-Nitrostilbene

Benzene,1-nitro-4-[(1E)-2-phenylethenyl]-

A stilbenoid with a structure of (E)-stilbene substituted at one of the C-4 positions by a nitro group.

3-deoxy-3,4-didehydro-cytidine

A pyrimidine 3-deoxyribonucleoside that is cytidine in which the hydroxy group at position 3 is replaced by a hydrogen and a double bond is introduced between positions 3 and 4. It is a metabolite of 3-deoxy-3,4-didehydro-CTP.

N-(2,6-diethylphenyl)-2-chloroacetamide

An aromatic amide obtained by formal condensation of the carboxy group of chloroacetic acid with the amnio group of 2,6-diethylaniline.

3-hydroxy-O,5-dimethyl-L-tyrosine zwitterion

An amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 5-hydroxy-3-methyl-O-methyl-L-tyrosine; major species at pH 7.3.

N-Benzyladenine

A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.

Aminodeoxychorismic acid

NA-His 4:0

Cyclo(Gln-Pro)

Hydroxydimethoxy-2Hbenzoxazinone

9-methoxycarbazole-3-carbaldehyde

4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoic acid

6-methoxy-4-methylindeno[1,2-b]pyridin-5-one

7-(hydroxymethyl)acridin-4-ol

4-[(1-Carboxy-2-methylbutyl)amino]-2(1H)-pyrimidinone

{"Ingredient_id": "HBIN009839","Ingredient_name": "4-[(1-Carboxy-2-methylbutyl)amino]-2(1H)-pyrimidinone","Alias": "NA","Ingredient_formula": "C10H15N3O3","Ingredient_Smile": "CCC(C)C(C(=O)O)NC1=CC=NC(=O)N1","Ingredient_weight": "225.24 g/mol","OB_score": "27.96340161","CAS_id": "NA","SymMap_id": "SMIT03963","TCMID_id": "NA","TCMSP_id": "MOL001571","TCM_ID_id": "NA","PubChem_id": "591989","DrugBank_id": "NA"}

6-benzylaminopurine