Exact Mass: 217.0586
Exact Mass Matches: 217.0586
Found 500 metabolites which its exact mass value is equals to given mass value 217.0586,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Captopril
Captopril is a potent, competitive inhibitor of angiotensin-converting enzyme (ACE), the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Captopril may be used in the treatment of hypertension. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(Acetamidomethylidene)-2-(hydroxymethyl)succinic acid
5-Fluorowillardiine
An alanine derivative that is L-alanine bearing a 5-fluorouracil-1-yl substituent at position 3. A more potent and selective AMPA receptor agonist (at hGluR1 and hGluR2) than AMPA itself (Ki = 14.7, 25.1, and 1820 nM for hGluR1, hGluR2 and hGluR5 respectively).
(2S)-3-(3-Carbamoyloxiranylcarbonylamino)-2-aminopropanoic acid
(R)-3-(indol-3-yl)-2-oxobutyric acid
The (R)-enantiomer of 3-(indol-3-yl)-2-oxobutyric acid.
1-Aminopyrene
1-aminopyrene belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Lycoperdic acid
Lycoperdic acid is found in mushrooms. Lycoperdic acid is isolated from the mushroom Lycoperdon perlatum (common puffball
Tyramine-O-sulfate
Tyramine-O-sulfate is a sulfate derivative of tyramine. Tyramine is formed from the decarboyxlation of tyrosine. Tyramine O-sulfate is found in the urine of patients following an oral load of tyramine with unipolar and bipolar major depressive episode. (PMID: 8432957, 2175186) [HMDB] Tyramine-O-sulfate is a sulfate derivative of tyramine. Tyramine is formed from the decarboyxlation of tyrosine. Tyramine O-sulfate is found in the urine of patients following an oral load of tyramine with unipolar and bipolar major depressive episode. (PMID: 8432957, 2175186).
1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline
Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-C145
4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one
D007155 - Immunologic Factors
Mivazerol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
3,4-Dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
N-[(2R)-4-(Hydroxymethyl)-3-oxo-1-sulfanylhex-4-en-2-yl]acetamide
H-Ise(3-Phenyl)-OH.HCl
5-(2-Cyanoethyl)-2-mercapto-4,6-dimethylnicotinonitrile
2-(Allyl-thiocarbamoylmercapto)-pentan-3-on|2-(N-Allyl-thiocarbamoylmercapto)-pentanon-(3)|allyl-dithiocarbamic acid 1-methyl-2-oxo-butyl ester|allyl-dithiocarbamic acid-(1-methyl-2-oxo-butyl ester)|Allyl-dithiocarbamidsaeure-(1-methyl-2-oxo-butylester)
7-Methoxy-1,6-dimethyl-5,8-dihydroisoquinoline-5,8-dione
2,4-dihydro-4-(beta-D-ribofuranosyl)-1,2,4(3H)-triazol-3-one|4-beta-D-Ribofuranosyl-1,2,4-triazol-3(2H)-one|4-beta-D-ribofuranosyl-1,2,4-triazolin-3-one
Captopril
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Annotation level-1 CONFIDENCE standard compound; INTERNAL_ID 2721 CONFIDENCE standard compound; INTERNAL_ID 8619
acridinic acid
CONFIDENCE standard compound; INTERNAL_ID 1037; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2825; ORIGINAL_PRECURSOR_SCAN_NO 2823 CONFIDENCE standard compound; INTERNAL_ID 1037; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2828; ORIGINAL_PRECURSOR_SCAN_NO 2826 CONFIDENCE standard compound; INTERNAL_ID 1037; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2873; ORIGINAL_PRECURSOR_SCAN_NO 2871 CONFIDENCE standard compound; INTERNAL_ID 1037; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2867; ORIGINAL_PRECURSOR_SCAN_NO 2865
5-amino-1-(4-methylphenyl)pyrazole-4-carboxylic acid
1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-methylthiourea
Sulfamide, [2-hydroxy-5-(methylamino)phenyl]- (9CI)
N,N-Bis(2-chloroethyl)aniline
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
1H-1,2,3-Triazole-4-carboxylicacid,5-ethyl-1-phenyl-(9CI)
1,6-Dimethyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile
methyl 4-methyl-1-oxo-2H-isoquinoline-3-carboxylate
(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanylmethanethioic S-acid
4-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL-PHENYLAMINE
4-(1-Methoxy-2-(methylamino)ethyl)phenol hydrochloride
Ethyl 3-exo-aminobicyclo[2.2.1]hept-5-ene-2-exo-carboxylate hydrochloride
3-ETHYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID AMIDE
4-Isoxazolecarboxaldehyde,3-(4-methoxyphenyl)-5-methyl-(9CI)
Methyl 2-((4-hydroxyphenyl)amino)acetate hydrochloride
METHYL 1-CYCLOPROPYL-1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBOXYLATE
1-(2-(DIMETHYLAMINO)PHENYL)-2,2,2-TRIFLUOROETHANONE
3-AMINO-3-(3,5-DIFLUORO-6-HYDROXY-PHENYL)-PROPIONIC ACID
METHYL 2-METHYL-4-OXO-1,4-DIHYDROQUINOLINE-6-CARBOXYLATE
Tinazoline
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
6-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
(Z)-4-(4-METHOXYBENZYLIDENE)-2-METHYLOXAZOL-5(4H)-ONE
methyl (2S)-2-amino-2-(4-hydroxyphenyl)acetate,hydrochloride
sodium,5-amino-2H-phthalazin-3-ide-1,4-dione,hydrate
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(4-METHYLPHENYL)-
(2-Chloro-3-(dimethoxymethyl)pyridin-4-yl)methanol
1,4-Dihydro-1,2-dimethyl-4-oxo -3-quilinecarboxylic acid
8-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
1-(2-DIBENZYLAMINO-4-METHYL-THIAZOL-5-YL)-3-(2,5-DIHYDRO-2-DIBENZYLIMMONIUM-4-METHYL-THIAZOL-5-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE
5-Chloro-3-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonitrile
2-(1-methylidene-3-oxoisoindol-2-yl)propanoic acid
(4-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-CARBAMICACIDTERT-BUTYLESTER
(2e)-3-[6-(trifluoromethyl)pyridin-3-yl]propenoicacid
2-CYANO-3-(PYRIDIN-2-YLAMINO)-ACRYLIC ACID ETHYL ESTER
Piroximone
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
2-amino-10H-[1,3,5]triazino[1,2-a]benzimidazole-4-thione
2-(1-METHYL-1H-INDOL-3-YL)-2-OXOACETIC ACID METHYL ESTER
Methyl 2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)acetate
N-Hydroxyethyl-3,4-methylene-dioxyanilinehydrochloride
4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)aniline
5-(Pyridin-3-yl)-1H-pyrazole-3-carboxylic acid ethyl ester
ethyl 3-endo-aminobicyclo[2.2.1]hept-5-ene-2-endo-carboxylate hydrochloride
5,8-DIMETHYL-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID
(S)-2-AMINO-3-(BENZYLOXY)PROPAN-1-OL HYDROCHLORIDE
Phosphonic acid, (1-aminoethyl)-, diethyl ester, hydrochloride, (R)- (9CI)
1-(4-(DIMETHYLAMINO)PHENYL)-2,2,2-TRIFLUOROETHANONE
Pyrrolidine, 1-(2,2,3,3,3-pentafluoro-1-oxopropyl)- (9CI)
1-(3-(DIMETHYLAMINO)PHENYL)-2,2,2-TRIFLUOROETHANONE
2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-(phenylmethyl)-
4-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo-, ethyl ester
2-AMINO-2-(4-METHOXYPHENYL)ACETIC ACID HYDROCHLORIDE
5-(3-aminophenyl)furan-2-carboxylic acid methyl ester
Efortil
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents Etilefrine hydrochloride is an orally active α adrenergic agonist. Etilefrine hydrochloride is also an AMPK activator. Etilefrine hydrochloride can be used for the research of postural hypotension[1][2][3][4]. Etilefrine hydrochloride is an orally active α adrenergic agonist. Etilefrine hydrochloride is also an AMPK activator. Etilefrine hydrochloride can be used for the research of postural hypotension[1][2][3][4].
3-Hydroxy-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
N-[(5-formyl-2-furyl)methyl]-N-methylmethanesulfonamide(SALTDATA: FREE)
(2-CHLORO-PHENYL)-CYCLOPROPYLMETHYL-AMINE HYDROCHLORIDE
1-(2-FLUORO-BENZOYLAMINO)-CYCLOHEPTANECARBOXYLICACID
Spiro[cyclohexane-1,3(1H)-furo[3,4-c]pyridine]-1,4-dione
1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID
2-(Methylthio)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Hydrochloride
1-(2,3-Dimethoxyphenyl)-N-methylmethanamine hydrochloride
(R)-2-AMINO-3-(BENZYLOXY)PROPAN-1-OL HYDROCHLORIDE
1H-1,2,3-Triazole-5-carboxylicacid,4-ethyl-1-phenyl-(9CI)
METHYL 5-METHYL-2-PHENYL-2H-1,2,3-TRIAZOLE-4-CARBOXYLATE
N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride
5-(2-AMINO-PHENYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER
4-HYDROXY-2-(PYRIDIN-2-YL)PYRIMIDINE-5-CARBOXYLIC ACID
1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid(SALTDATA: FREE)
2,2,2-TRIFLUORO-N-[(R)-ALPHA-METHYLBENZYL]ACETAMIDE
3-(Cyanomethyl)-4-hydroxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
3-METHYL-5-PHENYL-ISOXAZOLE-4-CARBOXYLIC ACID METHYL ESTER
GLYCINAMIDE,L-LEUCYL-L-ARGINYL-L-PROLYL-, DIHYDROCHLORIDE (9CI)
1-(3-fluoro-4-Methoxyphenyl)cyclopropanamine hydrochloride
(R)-Amino-(4-hydroxyphenyl)acetic acid methyl ester hydrochloride
methyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate
4-oxo-2-pyridin-4-yl-3,4-dihydro-pyrimidine-5-carboxylic acid
(S)-2-Amino-3-(2-hydroxyphenyl)propanoic acid hydrochloride
(R)-2-amino-2-(2-methoxyphenyl)acetic acid hydrochloride
2-Fluoro-5-Methyl-4-(trifluoroMethyl)phenylacetonitrile, 97\\%
(2Z)-3-(5-Amino-1H-1,2,4-triazol-3-yl)acrylic acid nitrate
1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid ethyl ester hydrochloride
2,2,2-TRIFLUORO-N-[(S)-ALPHA-METHYLBENZYL]ACETAMIDE
2-methylsulfanyl-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine,hydrochloride
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-PHENYL-, METHYL ESTER
1-(2-CHLOROPHENYL)-N-(1-METHYLPROPYL)-ISOQUINOLINE-3-CARBOXAMIDE
3-AMINO-3-(2-CHLORO-4-FLUORO-PHENYL)-PROPIONIC ACID
1-((2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)METHYL)HYDRAZINE
3-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)aniline
Epicaptopril
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
3,4-Dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
4-ethoxymethylene-2-phenyl-2-oxazolin-5-one
D007155 - Immunologic Factors
1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid
(S)-(-)-5-Fluorowillardiine
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylatoethyl]amino}-5-oxopentanoate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2,7-Dihydroxy-5-methyl-1-naphthoate
A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group; major species at pH 7.3.
N-3-(R,R)-epoxysuccinamoyl-(S)-2,3-diaminopropanoate
(2S)-3-azaniumyl-2-[(3-carbamoyloxirane-2-carbonyl)amino]propanoate
N-(S,S)-3-epoxysuccinamoyl-(S)-2,3-diaminopropanoate
(2S)-3-amino-2-[(3-carbamoyloxirane-2-carbonyl)amino]propanoic acid
(S)-2-Amino-3-[[(2R,3R)-3-carbamoyloxirane-2-yl]carbonylamino]propionic acid
(2S)-2-amino-3-[[(2S,3S)-3-carbamoyloxirane-2-carbonyl]amino]propanoic acid
[(Z)-[cyano(phenyl)methylidene]amino] N,N-dimethylcarbamate
N-[(2R)-4-(Hydroxymethyl)-3-oxo-1-sulfanylhex-4-en-2-yl]acetamide
Nostocarboline
A member of the class of beta-carbolines that is 9H-beta-carbolin-2-ium substituted by a chloro group at position 6 and a methyl group at position 2. It is isolated from a fresh water cyanobacterium Nostoc 78-12A and acts as an inhibitor of butyrylcholinesterase.
(1E,3E)-6-hydroxy-5,6-dioxo-1-phenylhexa-1,3-dien-1-olate
8-methyl-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-5-one
3-[[[(2R,3R)-3-carboxyoxiran-2-yl]carbonyl]amino]-L-alanine
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine
A dicarboxylic acid diamide consisting of 3-aminoalanine in which the alpha-amino fuunction is acylated by a 3-carbamoyloxirane-2-carbonyl group. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.
3-(2-Hydroxyethyl)-1,4-dioxo-1,4-dihydronaphthalen-2-olate
3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine; major species at pH 7.3. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.
gamma-Glu-Ala(1-)
A peptide anion that is the conjugate base of gamma-Glu-Ala, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
Tyramine sulfate
An aryl sulfate that is tyramine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group.
tyramine sulfate zwitterion
A zwitterion obtained by transfer of a proton from the sulfate to the amino group of tyramine sulfate; major species at pH 7.3.
3-hydroxy-1,4-dioxonaphthalene-2-carboximidic acid
6-(4-hydroxy-2,5-dihydro-1,3-thiazol-2-yl)hexanoic acid
2-amino-3-[(2-diazo-3-hydroxybutanoyl)oxy]propanoic acid
4-ethoxycarbonyl-2-quinolinone
{"Ingredient_id": "HBIN010377","Ingredient_name": "4-ethoxycarbonyl-2-quinolinone","Alias": "NA","Ingredient_formula": "C12H11NO3","Ingredient_Smile": "CCOC(=O)C1=CC(=O)NC2=CC=CC=C21","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15322","TCMID_id": "7397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
