Exact Mass: 196.0973634

Cis-stilbene oxide

Oxirane, 2,3-diphenyl-,(2R,3S)-rel-

Cis-stilbene oxide is part of the Bile secretion pathway. It is a substrate for: Epoxide hydrolase 1.

Bethanechol chloride

C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists Bethanechol chloride (Carbamyl-β-methylcholine chloride), a parasympathomimetic agent, is a mAChR agonist that exerts its effects via directly stimulating the mAChR (M1, M2, M3, M4, and M5) of the parasympathetic nervous system[1].

1-(2-Thienyl)-1-heptanone

1-(thiophen-2-yl)heptan-1-one

1-(2-Thienyl)-1-heptanone is found in animal foods. 1-(2-Thienyl)-1-heptanone is a constituent of roast beef aroma. Constituent of roast beef aroma. 1-(2-Thienyl)-1-heptanone is found in animal foods.

Deoxybenzoin

1,2-diphenylethan-1-one

4-Hydroxystilbene

4-(2-phenylethenyl)phenol

hydroxystilbene

2-(2-phenylethenyl)phenol

Stilbene oxide

Oxirane, 2,3-diphenyl-,(2R,3S)-rel-

4-methybenzophenone

4-Methylbenzophenone

CONFIDENCE standard compound; INTERNAL_ID 944; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9410; ORIGINAL_PRECURSOR_SCAN_NO 9406 CONFIDENCE standard compound; INTERNAL_ID 944; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9596; ORIGINAL_PRECURSOR_SCAN_NO 9593 CONFIDENCE standard compound; INTERNAL_ID 944; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9624; ORIGINAL_PRECURSOR_SCAN_NO 9620 CONFIDENCE standard compound; INTERNAL_ID 944; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9644; ORIGINAL_PRECURSOR_SCAN_NO 9642 CONFIDENCE standard compound; INTERNAL_ID 944; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9672; ORIGINAL_PRECURSOR_SCAN_NO 9669 CONFIDENCE standard compound; INTERNAL_ID 944; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9637; ORIGINAL_PRECURSOR_SCAN_NO 9636

Annotation level-1

Deoxybenzoin

2-Phenylacetophenone

CONFIDENCE standard compound; INTERNAL_ID 1009; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9584; ORIGINAL_PRECURSOR_SCAN_NO 9581 CONFIDENCE standard compound; INTERNAL_ID 1009; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9596; ORIGINAL_PRECURSOR_SCAN_NO 9593 INTERNAL_ID 1009; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9596; ORIGINAL_PRECURSOR_SCAN_NO 9593 CONFIDENCE standard compound; INTERNAL_ID 1009; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9624; ORIGINAL_PRECURSOR_SCAN_NO 9620 CONFIDENCE standard compound; INTERNAL_ID 1009; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9644; ORIGINAL_PRECURSOR_SCAN_NO 9642 CONFIDENCE standard compound; INTERNAL_ID 1009; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9672; ORIGINAL_PRECURSOR_SCAN_NO 9669 CONFIDENCE standard compound; INTERNAL_ID 1009; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9637; ORIGINAL_PRECURSOR_SCAN_NO 9636

3-Fluoro-4-morpholinoaniline

EFLORNITHINE

C7H14F2N2O2 (196.1023288)

2-Heptanoylthiophene

1-(thiophen-2-yl)heptan-1-one

methoxy(methoxymethoxymethoxymethoxymethoxy)methane

C7H16O6 (196.0946836)

4-FLUORO-2-METHYL (1,3-DIOXOLAN-2-YLMETHYL)BENZENE

4-Methylbiphenyl-4-carbaldehyde

2-Styrylbenzenol

2-[(E)-2-phenylethenyl]phenol

4-phenoxystyrene

2-Nitro-4-(1-pyrrolidinylmethyl)-1H-imidazole

1-Chloro-6-Phenylhexane

1-(chloromethyl)-4-(2-methylbutan-2-yl)benzene

2-Methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-one

N,N-Diphenylimidoformamide

(3-Ethoxy-4-methoxyphenyl)boronic acid

Pyrimidine, 5-cyclopropyl-2-phenyl- (9CI)

3-(4-methylphenyl)benzaldehyde

3-(3,4-dihydro-2H-pyrrol-5-yl)quinoline

6-(4,5-DIHYDRO-3H-PYRROL-2-YL)-QUINOLINE

1-CHLORO-3,5-DIISOPROPYL-BENZENE

Benzophenone hydrozone

(2,6-dimethoxy-4-methylphenyl)boronic acid(SALTDATA: FREE)

9H-fluoren-9-ylhydrazine

(1-(6-Fluoropyridin-2-yl)pyrrolidin-3-yl)methanol

(2-Fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)methanol

2-(2-Fluorophenyl)-3-methylbutanoic acid

tert-Butyl-(2-aminoethyl)carbamathydrochlorid

2-FLUORO-4-ISO-PROPYLOXYACETOPHENONE

9H-Fluoren-2-ylhydrazine

Ethyl L-ornithinate hydrochloride (1:1)

1-(3-Biphenylyl)ethanone

(1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOL-3-YL)BORONIC ACID

C8H13BN2O3 (196.1019178)

[2-(2-Methoxyethoxy)phenyl]boronic acid

4-Benzylbenzaldehyde

5-HEXYL-THIOPHENE-2-CARBALDEHYDE

(R)-METHYL 2,6-DIAMINOHEXANOATE HYDROCHLORIDE

pentamethylbenzyl chloride

2,3-EPOXY-1,2,3,4-TETRAHYDROANTHRACENE

2-ISOQUINOLIN-1-YL-2-METHYLPROPIONITRILE

2-Ethoxy-5-methoxyphenylboronic acid

1-(2-thienylmethyl)piperidin-4-amine(SALTDATA: 2HCl)

1-PHENYL-N-(PYRIDIN-3-YLMETHYLENE)METHANAMINE

1H-Indole,2,3-dihydro-2-(2-pyridinyl)-(9CI)

1-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]PIPERIDINE

2-Methyl-biphenyl-4-carbaldehyde

5-Pyrimidinecarboxylic acid, 4-amino-2-(propylamino)- (9CI)

[4-Methoxy-2-(methoxymethyl)phenyl]boronic acid

4-METHYL-[1,1-BIPHENYL]-2-CARBALDEHYDE

biphenyl-3-carboxamidine

(2S)-2-(4-Fluorophenyl)-3-methylbutanoic acid

(4-(Methoxymethoxy)-2-methylphenyl)boronic acid

ethyl 3-(2-fluorophenyl)propanoate

2,4-dimethyl-9H-pyrido[2,3-b]indole

5-Acetylacenaphthene

Ethanone,1-(1,2-dihydro-5-acenaphthylenyl)-

2-(Methoxymethoxy)-5-methylphenylboronic acid

P-TOLYLMETHYLDIMETHOXYSILANE

3-(2-Chloroethyl)-1,2,4,5-tetramethylbenzene

4-(p-Fluorophenyl)butyric acid methyl ester

1-(1-chloroethyl)-4-(2-methylpropyl)benzene

4-Acetylbiphenyl

N-(cyclohexylmethyl)-1,3-thiazol-2-amine

1-(PYRIDIN-2-YL)-6,7-DIHYDRO-5H-CYCLOPENTA[C]PYRIDINE

biphenyl-2-carboxamidine

2-METHYLBIPHENYL-3-CARBALDEHYDE

4-(3-METHYLPHENYL)BENZALDEHYDE

2-(4-Fluorophenyl)-3-methylbutanoic acid

6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile

3,4-Dihydro-2H-phenanthren-1-one

4(1H)-Phenanthrenone,2,3-dihydro-

2-FLUORO-4-PROPOXYACETOPHENONE

caffeine (trimethyl-13c3)

N-(5-fluoropyridin-2-yl)-2,2-dimethylpropanamide

manozodil

Ethyl 4-fluoro-2,6-dimethylbenzoate

3-(2-Methoxyethoxy)phenylboronic acid

6-AMINO-2-MORPHOLINOPYRIMIDIN-4(3H)-ONE

(4-(2-METHOXYETHOXY)PHENYL)BORONIC ACID

[()-(4-amino-2-hydroxy-4-oxobutyl)trimethylammonium] chloride

triethyl(1,2,2-trifluoroethenyl)silane

C8H15F3Si (196.0895066)

2-Methyl-4-(phenylthio)-2-butanol

1,2-diphenylethenol

2-METHYL-BIPHENYL-2-CARBOXALDEHYDE

3-Fluoro-4-(2-morpholinyl)aniline

2-Fluoro-6-morpholinoaniline

3-(3-methylphenyl)benzaldehyde

(S)-3,7-DIAMINOHEPTANOIC ACID DIHYDROCHLORIDE

Methoxy(4-methoxyphenyl)dimethylsilane

methoxy-(4-methoxyphenyl)-dimethylsilane

2,2-diphenyloxirane

tert-Butyl 4-fluorobenzoate

N-(5-AMINO-2-METHYLPHENYL)-2-METHYLPROPANAMIDE

3-benzylbenzaldehyde

Diphenylacetaldehyde

Diethoxy(phenyl)silane

2,7-Diaminofluorene

Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate

L-carnitinamide chloride

4-amino-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium chloride

methyl 2,6-diaminohexanoate hydrochloride

4-fluoro-3-Morpholinoaniline

2-AMINO-6-MORPHOLIN-4-YL-3 H-PYRIMIDIN-4-ONE

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

Benzalphenylhydrazine

(1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOL-4-YL)BORONIC ACID

C8H13BN2O3 (196.1019178)

1-(+)-CARBOXYMENTHYL-2,3:4,5-DI-O-CYCLOHEXYLIDENE-L-MYO-INOSITOL

1-(3,4-DIFLUOROPHENYL)ETHYLAMINE

3-Pyridinamine, 2-(2-phenylethenyl)-

Ethyl 3-(4-fluorophenyl)propanoate

1H-Indene-3-acetonitrile,-alpha--(1-aminoethylidene)-(9CI)

3-hexylthiophene-2-carbaldehyde

9-Fluorenemethanol

4-ISOQUINOLIN-3-YL-BUTYRONITRILE

5-(4-fluorophenyl)valeric acid

4-(4-fluoro-3-methylphenyl)butanoic acid

1-(4-CYANOPHENYL)-2,5-DIMETHYLPYRROLE

n-phenylbenzamidine

1-(2-THIOPHEN-2-YL-ETHYL)PIPERAZINE

trans-3-HYDROXYSTILBENE

(4-(Ethoxymethoxy)phenyl)boronic acid

4-FLUORO-2-(4-MORPHOLINYL)ANILINE

Stilbene oxide

Oxirane, 2,3-diphenyl-,(2R,3S)-rel-

(2S)-2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride

(2R)-2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride

2-Methoxyphenol trimethylsilyl ether

Silane, (4-methoxyphenoxy)trimethyl-

1-Phenoxy-3-vinylbenzene

Silane, (3-methoxyphenoxy)trimethyl-

9H-fluoren-1-ylmethanol

5,7-Dimethylpyrimido[1,6-a]indole

2,6-diamino-2-(difluoromethyl)hexanoic Acid

C7H14F2N2O2 (196.1023288)

L-Tyrosine-methyl-ester

C10H14NO3+ (196.0973634)

cis-Stilben-4-ol

(5S)-3-acetyl-5-[(2S)-butan-2-yl]-2,4-dioxopyrrolidin-3-ide

C10H14NO3- (196.0973634)

(S)-carnitinamide chloride

Lorcaserin(1+)

C11H15ClN+ (196.089296)

4-Fluorobenzoic acid, 2-methylpropyl ester

Orcinol, TMS derivative

2-Fluorobenzoic acid, 2-methylpropyl ester

Pyridine, 2-[2-(4-aminophenyl)ethenyl]-, trans-

2-(difluoromethyl)lysine

C7H14F2N2O2 (196.1023288)

A fluoroamino acid that is lysine with a difluoromethyl group at position 2.

4-Hydroxystilbene

trans-4-hydroxystilbene;

2-(n-heptanoyl)thiophene

(R)-carnitinamide chloride

4-amino-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium chloride

tenuazonic acid(1-)

C10H14NO3 (196.0973634)

An organic anion that is the carbanion obtained by removal of the acidic proton from position 3 of tenuazonic acid; major speies at pH 7.3.

Thienylheptanone

2-Benzyl-2-isopropenylmalononitrile

2-(phenylmethyl)-2-prop-1-en-2-yl-propanedinitrile; Propanedinitrile, (1-methylethenyl)(phenylmethyl)-; 2-isopropenyl-2-(phenylmethyl)propanedinitrile; 2-(benzyl)-2-isopropenyl-malononitrile; 2-(phenylmethyl)-2-prop-1-en-2-ylpropanedinitrile

{"Ingredient_id": "HBIN005353","Ingredient_name": "2-Benzyl-2-isopropenylmalononitrile","Alias": "2-(phenylmethyl)-2-prop-1-en-2-yl-propanedinitrile; Propanedinitrile, (1-methylethenyl)(phenylmethyl)-; 2-isopropenyl-2-(phenylmethyl)propanedinitrile; 2-(benzyl)-2-isopropenyl-malononitrile; 2-(phenylmethyl)-2-prop-1-en-2-ylpropanedinitrile","Ingredient_formula": "C13H12N2","Ingredient_Smile": "CC(=C)C(CC1=CC=CC=C1)(C#N)C#N","Ingredient_weight": "196.25 g/mol","OB_score": "52.43605375","CAS_id": "NA","SymMap_id": "SMIT10784","TCMID_id": "NA","TCMSP_id": "MOL009694","TCM_ID_id": "NA","PubChem_id": "561221","DrugBank_id": "NA"}

4,5-dimethylpyrrolo[2,3-c]quinoline

1,2-dimethylpyrido[3,4-b]indole