Exact Mass: 361.0745756
Exact Mass Matches: 361.0745756
Found 231 metabolites which its exact mass value is equals to given mass value 361.0745756,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxyfluorfen
C15H11ClF3NO4 (361.03286720000006)
Fenoxaprop-ethyl
C18H16ClNO5 (361.07169560000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Haloxyfop-P
C15H11ClF3NO4 (361.03286720000006)
CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5192; ORIGINAL_PRECURSOR_SCAN_NO 5188 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9781; ORIGINAL_PRECURSOR_SCAN_NO 9778 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5197; ORIGINAL_PRECURSOR_SCAN_NO 5195 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9812; ORIGINAL_PRECURSOR_SCAN_NO 9810 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9756; ORIGINAL_PRECURSOR_SCAN_NO 9751 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5211; ORIGINAL_PRECURSOR_SCAN_NO 5206 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5186; ORIGINAL_PRECURSOR_SCAN_NO 5184 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5280; ORIGINAL_PRECURSOR_SCAN_NO 5279 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9776; ORIGINAL_PRECURSOR_SCAN_NO 9774 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5216; ORIGINAL_PRECURSOR_SCAN_NO 5212 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9730; ORIGINAL_PRECURSOR_SCAN_NO 9726 CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9784; ORIGINAL_PRECURSOR_SCAN_NO 9781 ORIGINAL_PRECURSOR_SCAN_NO 5195; CONFIDENCE standard compound; INTERNAL_ID 384; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5197 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3562 Haloxyfop is an aryloxyphenoxypropionic acid herbicide and is widely used in grass weeds in broad-leaf crops[2]. Haloxyfop inhibits the acetyl coenzyme A carboxylase (EC 6.4.1.2) from corn seedling chloroplasts with an IC50 of 0.5 μM, but has no effect on this enzyme in pea[2].
Glucoputranjivin
An alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 2-methyl-N-(sulfooxy)propanimidoyl group at the anomeric sulfur.
5-Hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
5-Hydroxyomeprazole is only found in individuals that have used or taken Omeprazole. 5-Hydroxyomeprazole is a metabolite of Omeprazole. 5-hydroxyomeprazole belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
Omeprazole sulfone
C17H19N3O4S (361.10962140000004)
Omeprazole sulfone is only found in individuals that have used or taken Omeprazole. Omeprazole sulfone is a metabolite of Omeprazole. Omeprazole sulfone belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
Bezafibrate
C19H20ClNO4 (361.1080790000001)
Bezafibrate is only found in individuals that have used or taken this drug. It is an antilipemic agent that lowers cholesterol and triglycerides. It decreases low density lipoproteins and increases high density lipoproteins. [PubChem]Like the other fibrates, bezafibrate is an agonist of PPARα; some studies suggest it may have some activity on PPARγ and PPARδ as well. C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Bezafibrate is an agonist of PPAR, with EC50s of 50 μM, 60 μM, 20 μM for human PPARα, PPARγ and PPARδ, and 90 μM, 55 μM, 110 μM for murine PPARα, PPARγ and PPARδ, respectively; Bezafibrate is used as an hypolipidemic agent.
3-Hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
3-Hydroxyomeprazole is only found in individuals that have used or taken Omeprazole. 3-Hydroxyomeprazole is a metabolite of Omeprazole. 3-hydroxyomeprazole belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
Avenanthramide A2
Avenanthramide A2 is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Aminomethyl fluorescein
C21H15NO5 (361.09501800000004)
Ethyl 6-(N-(2-chloro-4-fluorophenyl)sulfamoyl)cyclohex-1-enecarboxylate
C15H17ClFNO4S (361.05508040000007)
Fostedil
C18H20NO3PS (361.09014600000006)
metampicillin
C17H19N3O4S (361.10962140000004)
5-Methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazol-4-ol
C17H19N3O4S (361.10962140000004)
SPARSOMYCIN
1-[(4-Aminophenyl)methyl]-3-(3-nitrophenyl)imidazo[4,5-b]pyridin-2-one
4-Amino-2-{[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile
N-(1,3-benzodioxol-5-ylmethyl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
methyl 2-((2-phenylimidazo[1,2-a]pyrimidin-3-yl)thio)benzoate
2-acetoxy-1-methoxy-[1,3]dioxolo[4,5:4,5]benzo[1,2-c]phenanthridine|decarine acetate|O-acetyl-decarine|O-Acetyldecarin
C21H15NO5 (361.09501800000004)
N6-methyl-[3]adenylic acid|N6-Methyl-[3]adenylsaeure|N6-Methyladenosin-3-phosphat|N6-Methyladenylsaeure
6-(3-(1H-pyrrole-2-carbonyloxy)-2-hydroxypropoxy)-3,4,5-trihydroxy-tetrahydro-2H-pyrane-2-carboxylic acid
2-(1-carboxyethyl)-5-hydroxy-7-phenyl-2H-benzo[de]isoquinoline-1,6-dione
C21H15NO5 (361.09501800000004)
3-deoxy-D-manno-2-octulopyranosonate 7-(2-aminoethyl phosphate)
N6-Methyl-2adenylsaeure|N6-methyl-[2]adenylic acid|N6-Methyl-[2]adenylsaeure
Me glycoside,2,3-dimesyl,N-Ac-4-Amino-4-deoxyarabinose
2-Dimethylamino-4-oxo-6-(L-threo-1,2,3-trihydroxypropyl)-3,4-dihydropteridin-3-monophosphat
3,4-Dihydro-5-(dimethylamino)-6,7-dimethoxy-8-(methyldithio)-1H-2-benzothiopyran-1-thione
Micinovo; Pravacilin; Rastomycin K; Ruticina
C17H19N3O4S (361.10962140000004)
bezafibrate
C19H20ClNO4 (361.1080790000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4657; ORIGINAL_PRECURSOR_SCAN_NO 4655 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4682; ORIGINAL_PRECURSOR_SCAN_NO 4681 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4636; ORIGINAL_PRECURSOR_SCAN_NO 4635 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4660; ORIGINAL_PRECURSOR_SCAN_NO 4659 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4651; ORIGINAL_PRECURSOR_SCAN_NO 4650 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8993; ORIGINAL_PRECURSOR_SCAN_NO 8991 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9030; ORIGINAL_PRECURSOR_SCAN_NO 9028 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9048; ORIGINAL_PRECURSOR_SCAN_NO 9046 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9079; ORIGINAL_PRECURSOR_SCAN_NO 9078 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9087; ORIGINAL_PRECURSOR_SCAN_NO 9085 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9094; ORIGINAL_PRECURSOR_SCAN_NO 9093 CONFIDENCE standard compound; INTERNAL_ID 2341 CONFIDENCE standard compound; INTERNAL_ID 8548 CONFIDENCE standard compound; INTERNAL_ID 4069 CONFIDENCE standard compound; EAWAG_UCHEM_ID 209 Bezafibrate is an agonist of PPAR, with EC50s of 50 μM, 60 μM, 20 μM for human PPARα, PPARγ and PPARδ, and 90 μM, 55 μM, 110 μM for murine PPARα, PPARγ and PPARδ, respectively; Bezafibrate is used as an hypolipidemic agent.
Oxyfluorfen
C15H11ClF3NO4 (361.03286720000006)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3174
HALOXYFOP
C15H11ClF3NO4 (361.03286720000006)
Haloxyfop is an aryloxyphenoxypropionic acid herbicide and is widely used in grass weeds in broad-leaf crops[2]. Haloxyfop inhibits the acetyl coenzyme A carboxylase (EC 6.4.1.2) from corn seedling chloroplasts with an IC50 of 0.5 μM, but has no effect on this enzyme in pea[2].
Anabasamine
C16H22Cl3N3 (361.08792220000004)
Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids
Asp Gly Gly Asn
Asp Gly Asn Gly
Asp Asn Gly Gly
Gly Asp Gly Asn
Gly Asp Asn Gly
Gly Gly Asp Asn
Gly Gly Asn Asp
Gly Asn Asp Gly
Gly Asn Gly Asp
Asn Asp Gly Gly
Asn Gly Asp Gly
Asn Gly Gly Asp
metampicillin
C17H19N3O4S (361.10962140000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum A penicillin compound having a 6beta-(2R)-2-(methylideneamino)-2-phenylacetamido side-group. 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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-Hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
Avenanthramide A2
Fostedil
C18H20NO3PS (361.09014600000006)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Fmoc-(S)-2-Amino-4,4-difluorobutyric acid
C19H17F2NO4 (361.11255860000006)
ETHYL 2-(CHLOROMETHYL)-4-PHENYLQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE
C19H17Cl2NO2 (361.06362820000004)
rel-(1R,3S,5S)-8-Methyl-8-azabicyclo[3,2,1]oct-6-en-yl-2-hydroxy-2,2-dithiophen-2-yl acetate
C18H19NO3S2 (361.08063039999996)
4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate
[4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]boronic acid
C13H11BF3NO5S (361.04030620000003)
4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate
Clemizole hydrochloride
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Clemizole hydrochloride is an H1 histamine receptor antagonist, is found to substantially inhibit HCV replication. Clemizole hydrochloride is an inhibitor of TRPC5 channel. The IC50 of Clemizole hydrochloride for RNA binding by NS4B is 24 nM, whereas its EC50 for viral replication is 8 μM.
(S)-ALLYL 2-AMINO-4-(METHYLTHIO)BUTANOATE 4-METHYLBENZENESULFONATE
C15H23NO5S2 (361.10175879999997)
5-(AMINOMETHYL)-3,6-DIHYDROXY-3H-SPIRO[ISOBENZOFURAN-1,9-XANTHEN]-3-ONE HYDROCHLORIDE
C21H15NO5 (361.09501800000004)
ethyl 2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylate
C21H15NO5 (361.09501800000004)
Midazolam hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
[4-[cyclopropyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
C17H20BNO5S (361.11551800000007)
3-[Cyclopropyl(4-methoxybenzyl)sulfamoyl]benzeneboronic acid
C17H20BNO5S (361.11551800000007)
METHYL 5-NITRO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
Sparsomysin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000970 - Antineoplastic Agents
[5-[7-(3-Chloropropoxy)quinazolin-4-ylamino]pyrazol-3-yl]acetic acid
6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinolin-4-one
C18H19NO5S (361.09838840000003)
(E)-8-Hydroxy-2-[2-(3,4,5-trihydroxyphenyl)ethenyl]-7-quinolinecarboxylic acid sodium salt
[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate
C19H17F2NO4 (361.11255860000006)
1-(4-METHOXY-BENZYL)-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE
2-ETHOXY-5-[(4-METHYL-PIPERAZINE-1-CARBONYL)-AMINO]-BENZENESULFONYL CHLORIDE
C14H20ClN3O4S (361.08629900000005)
FENOXAPROP-ETHYL
C18H16ClNO5 (361.07169560000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
1-Cyclohexene-1-carboxylic acid, 6-[[(2-chloro-4-fluorophenyl)amino]sulfonyl]-, ethyl ester, (6S)-
C15H17ClFNO4S (361.05508040000007)
ethyl 2-(2-(2-(4-chlorophenoxy)phenyl)-N-Methylacetamido)acetate
C19H20ClNO4 (361.1080790000001)
1-(3-Fluorophenyl)-6-methyl-3-(2-quinolinylmethoxy)-4(1H)-pyridazinone
5-[(4-chloro-2-nitrophenyl)azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
C15H12ClN5O4 (361.05777820000003)
ETHYL (2S)-(+)-2-(4-(6-CHLOROBENZOXAZOL&
C18H16ClNO5 (361.07169560000006)
1-(4-Fluorophenyl)-6-methyl-3-(2-quinolinylmethoxy)-4(1H)-pyridazinone
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione
A-TOSYL-(3,4,5-TRIMETHOXYLBENZYL)ISOCYANIDE
C18H19NO5S (361.09838840000003)
3-(3-bromophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
Polmacoxib
C18H16FNO4S (361.07840280000005)
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
Guanosine-2,3-cyclophosphorothioate
C10H12N5O6PS (361.02459020000003)
Cephacetrile sodium
C13H12N3NaO6S (361.03444920000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
4-[[5-Ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
C18H19NO5S (361.09838840000003)
Dimethyl 2-{4-[(3-chlorobenzoyl)amino]phenyl}malonate
C18H16ClNO5 (361.07169560000006)
3-(1-Benzotriazolylmethyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
C18H15N7S (361.11095900000004)
2-[[3-(4-Fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]butanoic acid ethyl ester
N-[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
C16H15N3OS3 (361.03772200000003)
5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
4-{4-[(5-Hydroxy-2-Methylphenyl)amino]quinolin-7-Yl}-1,3-Thiazole-2-Carbaldehyde
5-O-(sulfidophosphinato)adenosine
C10H12N5O6PS-2 (361.02459020000003)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-methyl-N-sulfooxypropanimidothioate
6-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
1-Azabicyclo[2.2.2]octan-3-yl-bis(3-chlorophenyl)methanol
3,4-dimethoxy-N-[[[oxo(2-pyrazinyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide
C15H15N5O4S (361.08447100000006)
(1,2-Dimethyl-3-indolyl)-diphenyl-sulfanylidenephosphorane
1-S-[(1Z)-2-methyl-N-(sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose
N-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-2-furancarboxamide
2,4-Dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol
C19H17Cl2NO2 (361.06362820000004)
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-4-triazolecarboxylic acid propan-2-yl ester
C14H15N7O3S (361.09570400000007)
1-(4-Chlorophenyl)-2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone
(4Z)-2-(4-methoxyphenyl)-4-[(1,2,4-triazol-4-ylamino)methylidene]isoquinoline-1,3-dione
2-(4-Fluoro-3-methylphenyl)sulfonyl-5-(2-methoxyphenyl)-3-pyrazolamine
4-chloro-N-{[2-(3-phenylpropanoyl)hydrazino]carbothioyl}benzamide
4-[(2-Methylanilino)methylidene]-2-(2-thiazolyl)isoquinoline-1,3-dione
(E)-3-(4-methoxyphenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide
methyl (2-chloro-5-{(1Z)-N-[(6-methylpyridin-2-yl)methoxy]ethanimidoyl}benzyl)carbamate
C18H20ClN3O3 (361.11931200000004)
4-[[4-(4-Methoxyphenyl)-2-thiazolyl]amino]benzenesulfonamide
1-(Benzenesulfonyl)-3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazole
N-(3,4-dimethoxyphenyl)-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]acetamide
C17H19N3O4S (361.10962140000004)
2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-imino-1-pentyl-2H-pyrrol-3-ol
C18H20ClN3OS (361.1015540000001)
2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
methyl 2-[(2R,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
methyl 2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
2-[(2S,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
methyl (1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-12-(1,3-thiazol-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
C17H19N3O4S (361.10962140000004)
methyl (1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-12-(1,3-thiazol-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
C17H19N3O4S (361.10962140000004)
2-[(2R,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2R,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2S,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
[(2E)-2-{(2E)-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]hydrazinylidene}-4-oxo-1,3-thiazolidin-5-yl]acetic acid
C15H15N5O4S (361.08447100000006)
1-S-[(1Z)-N-(sulfooxy)butanimidoyl]-1-thio-beta-D-glucopyranose
5-(1-Methylpiperidin-2-yl)-2,3-bipyridine trihydrochloride
C16H22Cl3N3 (361.08792220000004)
(3R)-4-(Methoxymethyl-thio)-3-(N-methoxymethyl-N-tosyl)aminobutan-2-one
C15H23NO5S2 (361.10175879999997)
3-[(Diethoxyphosphinyl)methyl]-5-(phenylsulfonyl)-2-isoxazoline
C14H20NO6PS (361.07489100000004)
1,2-Di(methoxycarbonyl)-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one
C21H15NO5 (361.09501800000004)
guanosine 5-monophosphate(2-)
A nucleoside 5-monophosphate(2-) that results from the removal of two protons from the phosphate group of GMP.
5-hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
A sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group.
2-methyladenosine 5-monophosphate
A purine ribonucleoside 5-monophosphate having 2-methyladenine as the nucleobase.
Guanosine 3-monophosphate(2-)
A nucleoside 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of guanosine 3-monophosphate (GMP); mjor species at pH 7.3.
propylglucosinolic acid
An alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a N-(sulfooxy)butanimidoyl group at the anomeric sulfur.
1,2-dimethyl (1r,2s)-1,2-dimethoxy-3-methyl-8-oxocyclobuta[b]quinoline-1,2-dicarboxylate
[(2-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxysulfonic acid
1,2-dimethyl 1,2-dimethoxy-3-methyl-8-oxocyclobuta[b]quinoline-1,2-dicarboxylate
2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-6-methoxy-4-methylbenzenecarboximidic acid
n-[2-hydroxy-4-(methoxycarbonyl)phenyl]-2,3,4-trimethoxybenzenecarboximidic acid
6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
7-chloro-(2r)-2-o-β-d-glucopyranosyl-2h-1,4-benzoxazin-3(4h)-one
{"Ingredient_id": "HBIN013136","Ingredient_name": "7-chloro-(2r)-2-o-\u03b2-d-glucopyranosyl-2h-1,4-benzoxazin-3(4h)-one","Alias": "NA","Ingredient_formula": "C14H16ClNO8","Ingredient_Smile": "C1=CC2=C(C=C1Cl)OC(C(=O)N2)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3554","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,4r)-5-hydroxy-3,4-bis(6-hydroxy-1h-indol-3-yl)-3,4-dihydropyrrol-2-one
C20H15N3O4 (361.10625100000004)
3-[2-(dimethylamino)-4-hydroxypteridin-6-yl]-2,3-dihydroxypropoxyphosphonic acid
[(z)-(2-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxysulfonic acid
5-hydroxy-3,4-bis(6-hydroxy-1h-indol-3-yl)-3,4-dihydropyrrol-2-one
C20H15N3O4 (361.10625100000004)
1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one
methyl 1-methyl-4-oxo-2-(1,2,3-trimethoxy-3-oxoprop-1-en-1-yl)quinoline-3-carboxylate
7-hydroxy-9-(5-hydroxy-1h-indol-3-yl)-3,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,4,6,8(13),9-pentaene-11-carboxylic acid
C20H15N3O4 (361.10625100000004)
(2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid
n-[(3z,14z)-1,1,15-trichloropentadeca-1,3,14-trien-12-yn-8-yl]ethanimidic acid
C17H22Cl3NO (361.07668920000003)
(11r)-7-hydroxy-9-(5-hydroxy-1h-indol-3-yl)-3,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,4,6,8(13),9-pentaene-11-carboxylic acid
C20H15N3O4 (361.10625100000004)
methyl (2r)-3'-amino-5-hydroxy-4'-methoxy-7-methyl-4,6'-dioxospiro[1,3-benzodioxine-2,1'-cyclohexane]-2',4'-diene-2'-carboxylate
methyl (2r)-5'-amino-5-hydroxy-2'-methoxy-7-methyl-4,4'-dioxospiro[1,3-benzodioxine-2,1'-cyclohexane]-2',5'-diene-6'-carboxylate
(2s,4r,5r,6s)-6-[(1s)-1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
(2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[(2s)-1-hydroxy-3-[(r)-(methylsulfanyl)methanesulfinyl]propan-2-yl]prop-2-enimidic acid
(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-[(2r)-2-hydroxy-3-(1h-pyrrole-2-carbonyloxy)propoxy]oxane-2-carboxylic acid
methyl 1-methyl-4-oxo-2-[(1z)-1,2,3-trimethoxy-3-oxoprop-1-en-1-yl]quinoline-3-carboxylate
1,2-dimethyl (1r,2r)-1,2-dimethoxy-3-methyl-8-oxocyclobuta[b]quinoline-1,2-dicarboxylate
[(2-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxysulfonic acid
1,6,7-trimethoxy-n,n-dimethyl-8-(methyldisulfanyl)-3,4-dihydro-1h-2-benzothiopyran-5-amine
(2s,3s)-3-[2-(dimethylamino)-4-hydroxypteridin-6-yl]-2,3-dihydroxypropoxyphosphonic acid
18-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-17-yl acetate
C21H15NO5 (361.09501800000004)
(2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-{1-hydroxy-3-[(r)-(methylsulfanyl)methanesulfinyl]propan-2-yl}prop-2-enimidic acid
5-(dimethylamino)-6,7-dimethoxy-8-(methyldisulfanyl)-3,4-dihydro-2-benzothiopyran-1-thione
(11s)-7-hydroxy-9-(5-hydroxy-1h-indol-3-yl)-3,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,4,6,8(13),9-pentaene-11-carboxylic acid
C20H15N3O4 (361.10625100000004)