Exact Mass: 461.08219980000007
Exact Mass Matches: 461.08219980000007
Found 83 metabolites which its exact mass value is equals to given mass value 461.08219980000007,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
SM-17466
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Cyanidin 3-O-(6'-acetyl-arabinoside)
C22H21O11+ (461.10838160000003)
Cyanidin 3-O-(6-acetyl-arabinoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)
KBT 1585 hydrochloride
C21H23N3O7S (461.12566480000004)
Lactofen
C19H15ClF3NO7 (461.04891060000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate
C22H21Cl2N3O4 (461.09090460000004)
Prulifloxacin
C21H20FN3O6S (461.10567920000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
LACTOFEN
C19H15ClF3NO7 (461.04891060000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Cyanidin 3-O-(6-acetyl-arabinoside)
C22H21O11 (461.10838160000003)
(6-acetyloxy-5-nitro-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) acetate
C24H15NO9 (461.07467800000006)
lenampicillin
C21H23N3O7S (461.12566480000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Vonoprazan Fumarate
C21H20FN3O6S (461.10567920000005)
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carbonitrile
SPA-S 510
C24H19N3O5S (461.1045364000001)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
N-(3-CHLORO-4-FLUOROPHENYL)-7-(3-MORPHOLINOPROPOXY)-6-NITROQUINAZOLIN-4-AMINE
C21H21ClFN5O4 (461.12660280000006)
Prulifloxacin
C21H20FN3O6S (461.10567920000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
N-(Diphenylphosphinyl-α-(p-tosyl)benzyl amine
C26H24NO3PS (461.12144440000003)
9-(4-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate
C21H19NO9S (461.07804840000006)
(-)-Bicuculline methobromide
C21H20BrNO6 (461.04739200000006)
(-)-Bicuculline methobromide (l-Bicuculline methobromide) is a potent GABAA receptor antagonist. (-)-Bicuculline methobromide blocks afterhyperpolarizations (AHPs) mediated by Ca2+-activated K+ channels in various types of neurons[1]. (-)-Bicuculline methobromide (l-Bicuculline methobromide) is a potent GABAA receptor antagonist. (-)-Bicuculline methobromide blocks afterhyperpolarizations (AHPs) mediated by Ca2+-activated K+ channels in various types of neurons[1].
[1,2]benzisothiazolo[2,3,4-lma]benzo[h]quinoxalino[2,3-c]carbazole-11,16-dione 9,9-dioxide
C26H11N3O4S (461.04702460000004)
3-Hexyl-1,2-dimethyl-1H-imidazol-3-ium bis[(trifluoromethyl)sulfonyl]azanide
C13H21F6N3O4S2 (461.08776180000007)
3,6-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9-[9H]xanthen]-3-one
C24H15NO9 (461.07467800000006)
MK-5108
C22H21ClFN3O3S (461.0976118000001)
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-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2:5,3-terpyridine-3-carboxamide
C24H20ClN5O3 (461.1254600000001)
(2r)-2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}propene-1-Sulfonamide
C18H24ClN3O5S2 (461.08458440000004)
4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide
C21H15ClF3N5O2 (461.08663160000003)
5-O-(L-Alpha-Aspartylsulfamoyl)adenosine
Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme. Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme.
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate
C22H21Cl2N3O4 (461.09090460000004)
[3-(2-Chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
C25H20ClN3O2S (461.09646900000007)
(1R)-2-[(Cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
2-({[2,3,5,6-Tetrafluoro-3-(Trifluoromethoxy)biphenyl-4-Yl]amino}carbonyl)cyclopenta-1,3-Diene-1-Carboxylic Acid
C20H10F7NO4 (461.0498024000001)
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate(2-)
Isoscoparin-7-olate
C22H21O11- (461.10838160000003)
The 7-oxoanion of isoscoparin.
alpha-Ketoglutaryl-diaminobutyryl-citryl-ethanolamine
Diaminobutyryl-citryl-ethanolamino-alpha-ketoglutarate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2,4-diamino-4-oxobutanoate
C14H20N7O9P (461.10600800000003)
3-[[4-(2,6-Difluoro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]aniline
Cefamandole(1-)
C18H17N6O5S2- (461.07018120000004)
A cephalosporin carboxylate anion having (R)-mandelamido and N-methylthiotetrazole side-groups.
3-L-asparaginyl-AMP
C14H20N7O9P (461.10600800000003)
An L-asparaginyl derivative that is the ester obtained by formal condensation of the carboxy group of L-asparagine with the 3-hydroxy group of AMP.
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide
C18H21ClFN3O4S2 (461.06459880000006)
1-[4-Chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)urea
C21H20ClN3O5S (461.0812140000001)
N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
2-[(5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide
C24H19N3O5S (461.1045364000001)
3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(phenylsulfonyl)propanehydrazide
C20H19N3O4S3 (461.0537654000001)
2-[4-(2-Thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
2-(2-Chloro-6-fluoro-phenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one
C25H17ClFN3OS (461.07648340000003)
1-(4-Chlorophenyl)-6-[(4-methylphenyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
C23H16ClN5O2S (461.07131860000004)
2-O-acetylcrinamabine Trifluoroacetic acid
A natural product found in Crinum asiaticum var. sinicum.
2-methylthio-N(6)-dimethylallyladenine 5-monophosphate
C16H24N5O7PS (461.11340040000005)
4-methoxyphenyl 3-O-(beta-D-glucopyranosyluronate)-beta-D-galactopyranoside
(2S,3S,4S,5R)-6-[3-acetamido-2-hydroxy-5-(4-methylbenzoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(5R)-5-(3,5-dichloro-4-fluorophenyl)-3-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
C19H14BCl2F4NO3 (461.0379872000001)
N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
C20H19N3O6S2 (461.07152340000005)
luteolin 7-O-beta-D-glucosiduronate
A carbohydrate acid derivative anion that is the conjugate base of luteolin 7-O-beta-D-glucosiduronic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Cyanidin 3-O-(6-acetyl-arabinoside)
C22H21O11+ (461.10838160000003)
B-Raf IN 2
C20H17F2N5O4S (461.0969266000001)
B-Raf IN 2 is a potent and selective BRAF inhibitor extracted from patent WO2021116055A1, compound Ia. B-Raf IN 2 can be used for the research of cancer[1].
FAUC 365
FAUC 365 is a highly dopamine D3 receptor-selective antagonist with Ki values of 0.5 nM, 340, 2600, and 3600 nM at D3, D4.4, D2short, and D2Long receptors, respectively. FAUC 365 can be used for the research of schizophrenia, and Parkinson's disease[1][2].
1-(3,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)ethyl]-7,8-dihydroxychromeno[3,4-b]pyrrol-4-one
C25H19NO8 (461.11106140000004)
bicuculine
C21H20BrNO6 (461.04739200000006)
{"Ingredient_id": "HBIN018402","Ingredient_name": "bicuculine","Alias": "NA","Ingredient_formula": "C21H20BrNO6","Ingredient_Smile": "C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37015","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}