Exact Mass: 281.057607
Exact Mass Matches: 281.057607
Found 408 metabolites which its exact mass value is equals to given mass value 281.057607,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nitrazepam
C15H11N3O3 (281.08003759999997)
Nitrazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine derivative used as an anticonvulsant and hypnotic.Nitrazepam belongs to a group of medicines called benzodiazepines. It acts on benzodiazepine receptors in the brain which are associated with the GABA receptors causing an enhanced binding of GABA (gamma amino butyric acid) to GABAA receptors. GABA is a major inhibitory neurotransmitter in the brain, involved in inducing sleepiness, muscular relaxation and control of anxiety and fits, and slows down the central nervous system. The anticonvulsant properties of nitrazepam and other benzodiazepines may be in part or entirely due to binding to voltage-dependent sodium channels rather than benzodiazepine receptors. Sustained repetitive firing seems to be limited by benzodiazepines effect of slowing recovery of sodium channels from inactivation. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives 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 D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3683
Flufenamic acid
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3021 D000893 - Anti-Inflammatory Agents Flufenamic acid is a non-steroidal anti-inflammatory agent, inhibits cyclooxygenase (COX), activates AMPK, and also modulates ion channels, blocking chloride channels and L-type Ca2+ channels, modulating non-selective cation channels (NSC), activating K+ channels. Flufenamic acid binds to the central pocket of TEAD2 YBD and inhibits both TEAD function and TEAD-YAP-dependent processes, such as cell migration and proliferation.
albendazole S-oxide
Albendazole s-oxide is part of the Steroid hormone biosynthesis, Linoleic acid metabolism, Retinol metabolism, and Bile secretion pathways. It is a substrate for: Cytochrome P450 3A4. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Propetamphos
CONFIDENCE standard compound; INTERNAL_ID 1333; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4537; ORIGINAL_PRECURSOR_SCAN_NO 4534 CONFIDENCE standard compound; INTERNAL_ID 1333; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4528; ORIGINAL_PRECURSOR_SCAN_NO 4524 CONFIDENCE standard compound; INTERNAL_ID 1333; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4548; ORIGINAL_PRECURSOR_SCAN_NO 4544
4-Hydroxyphenylacetylglutamic acid
Involved in tyrosine and phenylalanine metabolism. [HMDB] Involved in tyrosine and phenylalanine metabolism.
Hydroxyalbendazole
A member of the class of benzimidazoles that is albendazole in which one of the terminal methyl hydrogens on the propyl group has been replaced by a hydroxy group.
Juzirine
Juzirine is found in fruits. Juzirine is an alkaloid from the leaves of Zizyphus jujuba (Chinese date). Alkaloid from the leaves of Zizyphus jujuba (Chinese date). Juzirine is found in fruits.
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine
N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine is found in mushrooms. N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine is isolated from Agaricus bisporus (button mushroom). Isolated from Agaricus bisporus (button mushroom). N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine is found in mushrooms.
Ajocysteine
Ajocysteine is found in onion-family vegetables. Ajocysteine is a constituent of garlic (Allium sativum). Constituent of garlic (Allium sativum). Ajocysteine is found in garlic and onion-family vegetables.
2-Chloro-N-(2-chloro-4-methylpyridin-3-yl)nicotinamide
N-(2-(2,4,6-Trichlorophenoxy)ethyl)propan-1-amine
C11H14Cl3NO (281.01409240000004)
Propan-2-yl 3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
Acetoxyacetylaminofluorene
D009676 - Noxae > D000477 - Alkylating Agents
indoprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
N-Nitrosocimetidine
C10H15N7OS (281.10587400000003)
7-Acetamido-9-oxofluorene-4-carboxylic acid
(-)-Norushinsunine
(-)-norushinsunine is a member of the class of compounds known as hydroxy-7-aporphines. Hydroxy-7-aporphines are aporphines containing a hydroxyl group at the 7-position (-)-norushinsunine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-norushinsunine can be found in cherimoya, custard apple, and sugar apple, which makes (-)-norushinsunine a potential biomarker for the consumption of these food products.
indoprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
N-Acetyl-3-(3-chloro-4-fluoroanilino)-2-cyanoacrylamide
Diethyl 2-[(4-fluoroanilino)methylene]malonate
C14H16FNO4 (281.10633079999997)
2-[4-(5-Methyl-3-phenylisoxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
Me ester-4-Hydroxy-2-[4-(2-pyridinyl)-1,3-butadienyl]benzoic acid
(+-)-norpukateine|(+-)-obovanine|6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-12-ol|Obovanine
(Z)-4-methoxy-7-[(3-methylbuta-1,3-dienyloxy)]furo[2,3-b]quinoline|leptanoine A
(+-)-normecambrine|2a,3,4,5-tetrahydro-2H-spiro[cyclohexa-2,5-diene-1,1-cyclopenta[ij][1,3]dioxolo[4,5-g]isoquinolin]-4-one
Aristolactam AIIIa
Aristolactam AIIIa is a natural product found in Aristolochia elegans, Aristolochia kaempferi, and other organisms with data available.
Albendazole oxide
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 1060
nitrazepam
C15H11N3O3 (281.08003759999997)
A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (Wests syndrome). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives 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 D002491 - Central Nervous System Agents > D000927 - Anticonvulsants CONFIDENCE standard compound; INTERNAL_ID 1535
Kathon 930
CONFIDENCE standard compound; EAWAG_UCHEM_ID 344
DCOIT
CONFIDENCE standard compound; INTERNAL_ID 2875 CONFIDENCE standard compound; INTERNAL_ID 8834
PRZ_M282
C11H14Cl3NO (281.01409240000004)
CONFIDENCE Transformation product, tentative ID (Level 2b); INTERNAL_ID 2001
Prochloraz BTS40348
C11H14Cl3NO (281.01409240000004)
CONFIDENCE standard compound; INTERNAL_ID 2647
flufenamic acid
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5428; ORIGINAL_PRECURSOR_SCAN_NO 5423 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5418; ORIGINAL_PRECURSOR_SCAN_NO 5416 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5457; ORIGINAL_PRECURSOR_SCAN_NO 5455 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5442; ORIGINAL_PRECURSOR_SCAN_NO 5441 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5524; ORIGINAL_PRECURSOR_SCAN_NO 5519 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5447; ORIGINAL_PRECURSOR_SCAN_NO 5445 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9133; ORIGINAL_PRECURSOR_SCAN_NO 9128 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9153; ORIGINAL_PRECURSOR_SCAN_NO 9148 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9175; ORIGINAL_PRECURSOR_SCAN_NO 9171 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9182; ORIGINAL_PRECURSOR_SCAN_NO 9178 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9162; ORIGINAL_PRECURSOR_SCAN_NO 9160 CONFIDENCE standard compound; INTERNAL_ID 367; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9196; ORIGINAL_PRECURSOR_SCAN_NO 9192 Flufenamic acid is a non-steroidal anti-inflammatory agent, inhibits cyclooxygenase (COX), activates AMPK, and also modulates ion channels, blocking chloride channels and L-type Ca2+ channels, modulating non-selective cation channels (NSC), activating K+ channels. Flufenamic acid binds to the central pocket of TEAD2 YBD and inhibits both TEAD function and TEAD-YAP-dependent processes, such as cell migration and proliferation.
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-Quinoline-3-carboxylic acid
1,3-bis(oxiran-2-ylmethyl)-5-prop-1-en-2-yl-1,3,5-triazinane-2,4,6-trione
4-(3,4-dichlorophenoxy)piperidine hydrochloride
C11H14Cl3NO (281.01409240000004)
(S)-4-((Benzyloxy)carbonyl)thiomorpholine-3-carboxylic acid
Benzodepa
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Benzenaminium, N,N,N-trimethyl-, hexafluorophosphate(1-)
5-Thiazolecarboxylicacid,2-(2-chlorophenyl)-4-methyl-,ethylester
7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
N-(2-aminoethyl)-2-nitrobenzenesulfonamide,hydrochloride
4-ETHOXYCARBONYLMETHYL-3-NITRO-BENZOIC ACID ETHYL ESTER
2-(Methoxycarbonyl)aminophenylaminothioxomethyl-carbamic acid methyl ester
5,6-Dimethoxy-2-(pyridine-4-yl)methylene-indan-1-one
4-Thiazolidinone,5-[(3,4-dimethoxyphenyl)methylene]-2-thioxo-
1,3-dimethyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-1,3-diazinane-2,4,6-trione
4-(3-TRIFLUOROMETHYL-PHENOXY)-PIPERIDINE HYDROCHLORIDE
[4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl]-carbamic acid ethyl ester
2-CHLORO-1-[1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-1-ETHANONE
ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate
2-aza-2-benzyl-7-bromo-6-hydroxy-2-bicyclo(2.2.1)heptane
4-(2-N-MALEIMIDO)METHYL BENZOHYDRAZIDE HYDROCHLORIDE
(2S,4S)-1-BENZYL-2-METHY-4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE
C14H16FNO4 (281.10633079999997)
METHYL 3-AMINO-5-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE HYDROCHLORIDE
C14H13ClFNO2 (281.06188000000003)
METHYL 3-AMINO-3-FLUORO-[1,1-BIPHENYL]-4-CARBOXYLATE HYDROCHLORIDE
C14H13ClFNO2 (281.06188000000003)
METHYL 3-AMINO-4-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE HYDROCHLORIDE
C14H13ClFNO2 (281.06188000000003)
4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
D-TarB-NO2,2-(3-Nitrophenyl)-1,3,2-dioxaborolane-4S,5S-dicarboxylic acid
2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol
(3R)-4-phenylmethoxycarbonylthiomorpholine-3-carboxylic acid
B-HT 920
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists Talipexole dihydrochloride (B-HT 920 dihydrochloride) is a dopamine D2 receptor agonist, α2-adrenoceptor agonist and 5-HT3 receptor antagonist, which displays antiParkinsonian activity.
(1S,2R,5R)-5-(4-CHLORO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3-(HYDROXYMETHYL)CYCLOPENT-3-ENE-1,2-DIOL
1H-Indole,1-methyl-3-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]-(9CI)
Benzyl 4-[Methoxy(Methyl)aMino]-4-oxobutanoate
C14H16FNO4 (281.10633079999997)
N-(3-fluorophenyl)-3-hydroxynaphthalene-2-carboxamide
2-amino-4-(4-chloro-phenyl)-thiophene-3-carboxylic acid ethyl ester
ETHYL-5-CHLORO-1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINE CARBOXYLATE
5-Benzyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
C15H11N3O3 (281.08003759999997)
2-AMINO-4-(3-CHLOROPHENYL)-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylic acid
3-benzylhydroxy-2,6-dihydroxymethylpyridine hydrochloride
2-(6-FLUOROPYRIDIN-3-YL)-6-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOLE
5-(1-Chloro-2-methylpropan-2-yl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
5-(1-Chloro-2-methylpropan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
1-(1,3-Benzodioxol-5-ylmethyl)-1H-indole-2,3-dione
(3-Chloro-4-(cyclohexylcarbamoyl)phenyl)boronic acid
(4-Chloro-3-(cyclohexylcarbamoyl)phenyl)boronic acid
4-[(4-chloro-2-nitrophenyl)azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one
C10H8ClN5O3 (281.03156479999996)
4-chloro-N-[1-(N-hydroxycarbamimidoyl)cyclopentyl]benzamide
C13H16ClN3O2 (281.09309859999996)
4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol()
2-(N-(4-CHLOROPHENYL)CARBAMOYL)CYCLOHEXANECARBOXYLIC ACID
5-Bromo-3-isopentyl-2-methyl-3H-imidazo[4,5-b]pyridine
1-[(Benzyloxy)carbonyl]-3-fluoro-3-piperidinecarboxylic acid
C14H16FNO4 (281.10633079999997)
N-Cyclopropyl-N-methyl-1,2,3,4-tetrahydro-2-naphthalenamine hydro bromide (1:1)
C14H20BrN (281.07790200000005)
2-[3-chloro-4-(trifluoromethyl)phenyl]benzonitrile
2-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
3-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
6-Bromo-2,2-spirocycloheptane-2,3-dihydro-1H-imidazo[4,5-b]pyridine
3-((2,4-Dichlorobenzyl)oxy)pyrrolidine hydrochloride
C11H14Cl3NO (281.01409240000004)
2-(4-Aminophenyl)imidazo[2,1-b][1,3]benzothiazol-7-ol
2-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid
5-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)-4,5-dihydro-1,2-o xazole-3-carboxylic acid
1-(4-trifluoromethyl)phenylbiguanide hydrochloride
3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL)-BENZOIC ACID
Ethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
(4R,5R)-2-(3-nitrophenyl)-1,3,2-dioxaborolane-4,5-dicarboxylic acid
4-[3-(Trifluoromethyl)phenyl]-4-piperidinol hydrochloride
2-(TRIFLUOROMETHYL)-6,11-DIHYDRO-5H-BENZO[B]PYRIDO[2,3-E][1,4]DIAZEPIN-7-OL
1-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-2-(QUINOXALIN-6-YL)ETHANONE
2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
(2S,4R)-1-BENZYL-2-METHYL-4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE
C14H16FNO4 (281.10633079999997)
4-Thiazolidinone,5-[(3-ethoxy-4-hydroxyphenyl)methylene]-2-thioxo-
2-CHLORO-5,6,7-TRIMETHOXY-QUINOLINE-3-CARBALDEHYDE
7-(Acetylamino)-4-hydroxy-2-naphthalenesulfonic acid
C12H11NO5S (281.03579160000004)
1-ISOPENTYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
ETHYL 5-HYDROXY-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
1-ALLYL-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
C15H11N3O3 (281.08003759999997)
5-piperazin-1-yl-1-benzofuran-2-carboxamide,hydrochloride
C13H16ClN3O2 (281.09309859999996)
(6-Chloro-1H-benzoimidazol-2-ylmethyl)-carbamic acid tert-butyl ester
C13H16ClN3O2 (281.09309859999996)
6-fluoro-3-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetic acid,hydrochloride
2-(1,3-diethoxy-1,3-dioxopropan-2-yl)pyridine-3-carboxylic acid
4-[2-(Trifluoromethyl)phenoxy]piperidine hydrochloride
Boronic acid, B-[4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]phenyl]
ETHYL 3-HYDROXY-4,6-DIMETHOXY-2-OXOINDOLINE-3-CARBOXYLATE
2-benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
2-(4-Bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)-N,N-dimethylacetamide
2-Propenoic acid,3-[4-[[(4-methoxyphenyl)methylene]amino]phenyl]-
2-[2-(AMINOMETHYL)PHENYLTHIO]BENZYL ALCOHOL HYDROCHLORIDE
(S)-2-(3-BROMOPHENYL)-4-(TERT-BUTYL)-4,5-DIHYDROOXAZOLE
(S)-2-(2-Bromophenyl)-4-(tert-butyl)-4,5-dihydrooxazole
2-AMINO-4-(4-CHLORO-PHENYL)-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
N-(2,4-Dinitrophenyl)-L-proline
The L-stereoisomer of N-(2,4-dinitrophenyl)proline, a proline derivative having a 2,4-dinitrophenyl substituent on nitrogen.
6-Acetamido-4-hydroxy-2-naphthalenesulfonic acid
C12H11NO5S (281.03579160000004)
(4-FLUOROPHENYLAMINO)METHYLENEMALONIC ACID DIETHYL ESTER
C14H16FNO4 (281.10633079999997)
1-TERT-BUTYL2-METHYL(2S,4R)-4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE
4-(4-(trifluoromethoxy)phenyl)piperidine hydrochloride
(Z)-3-(hydroxy-phenyl-methylene)-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid
5-Acetyl-2-chloro-1-cyclopentyl-1,6-dihydro-4-methyl-6-oxo-3-pyridinecarboxaldehyde
(4R,8S)-8-(3-(difluoroMethyl)phenyl)-4-Methyl-2-Methylene-6-oxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-iuM-8-uide
2-(4-((2,4-Dioxothiazolidin-5-yl)methyl)phenoxy)acetic acid
C12H11NO5S (281.03579160000004)
4-ALLYL-5-[(4-CHLOROPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
C12H12ClN3OS (281.03895719999997)
2-Furanmethanaminium,N,N,N,5-tetramethyl-, iodide (1:1)
Boronic acid, B-[3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]phenyl]-
5-(2-methoxy-4-nitrophenyl)furan-2-carbonyl chloride
1-CYCLOPROPYL-6,7-DIFLUORO-8-HYDROXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
3-Borono-5-((tert-butoxycarbonyl)amino)benzoic acid
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoic acid
Proflavine dihydrochloride
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
2-(2-Oxolanylmethyl)benzo[de]isoquinoline-1,3-dione
5-Methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine
Methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate
2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone
C15H11N3O3 (281.08003759999997)
5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
3-(4-Methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
3-(2-Hydroxyethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile
(R)-(+)9B-(3-Methyl)phenyl-2,3-dihydrothiazolo[2,3-A]isoindol-5(9BH)-one
(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
4-bromo-N-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide
6-[(3,4-Difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
4-butyl-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
N-(4-nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide
1-(3,5-Dimethyl-isoxazol-4-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carbonitrile
C15H11N3O3 (281.08003759999997)
N-(1-cyano-3-pyrrolidinyl)-3-methoxybenzenesulfonamide
Pseudobaptigenin(1-)
A flavonoid oxoanion that is the conjugate base of pseudobaptigenin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone
C12H12ClN3OS (281.03895719999997)
(E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide
N-[5-(2-oxolanyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
6-bromo-N-tert-butyl-2-methyl-3-imidazo[1,2-a]pyridinamine
1-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-4-pyridin-1-iumamine
6-Nitro-8-(triluoromethyl)pyrido[1,2-a]benzimidazole
Ethyl 2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetate
(1E)-1-[(3-chlorophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
C13H16ClN3O2 (281.09309859999996)
1-Hydroxy-6-nitro-2-phenyl-3-indazol-2-iumcarbonitrile
C14H9N4O3+ (281.06746239999995)
7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one
(2s)-2-amino-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanoic acid
2-amino-4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanoic acid
2-(4-hydroxy-3-methoxyphenyl)-1-methylquinolin-4-one
(9r,12r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-9-ol
(2z)-6-hydroxy-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1h-3,1-benzoxazin-4-one
15-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-6,11,14-triol
5,5,17-trimethyl-6,15-dioxa-17-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1,3,7,9,12(16),13-hexaen-11-one
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
(12'r)-3',5'-dioxa-11'-azaspiro[cyclohexane-1,14'-tetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadecane]-1'(15'),2,2'(6'),5,7'-pentaen-4-one
4,5-dihydroxy-1-(2,3,4,5-tetrahydroxyphenoxy)cyclopent-2-ene-1-carbonitrile
1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
{"Ingredient_id": "HBIN001254","Ingredient_name": "1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone","Alias": "1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone; 1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethanone; 1-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone","Ingredient_formula": "C12H15N3O3S","Ingredient_Smile": "NA","Ingredient_weight": "281.33","OB_score": "17.46586102","CAS_id": "57269-28-0","SymMap_id": "SMIT04984","TCMID_id": "NA","TCMSP_id": "MOL002801","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
avenalumin i
{"Ingredient_id": "HBIN017401","Ingredient_name": "avenalumin i","Alias": "NA","Ingredient_formula": "C16H11NO4","Ingredient_Smile": "C1=CC(=O)C=CC1=CC=C2NC3=C(C=C(C=C3)O)C(=O)O2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2033","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
methyl 3-(4,5,6-trihydroxy-7-methyl-1-oxo-3h-isoindol-2-yl)propanoate
(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-2-ethyl-4-sulfanyloxolan-3-ol
15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-8-one
6-hydroxy-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-iminopurin-8-one
10-amino-9-chloro-2-methyl-3-(methylsulfanyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
C12H12ClN3OS (281.03895719999997)
(12r,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-7-ol
(14s,15s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8,12(20),16,18-hexaen-15-ol
(12r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-17-ol
15-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene-4,11,14-triol
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-9-ol
3',5'-dioxa-11'-azaspiro[cyclohexane-1,14'-tetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadecane]-1'(15'),2,2'(6'),5,7'-pentaen-4-one
11-methoxy-5,5-dimethyl-6,15-dioxa-17-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1,3,7,9,11,13,16-heptaene
4,5-dimethoxy-9λ⁵-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-9-ylium-14-olate
(12r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-7-ol
2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione
(12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol
14,15-dihydroxy-10-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one
7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
(12r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol
(12r,13r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8,12(20),16,18-hexaen-15-ol
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
[6-(1-methylindol-7-yl)-2h-1,3-benzodioxol-5-yl]methanol
(9s)-15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-8-one
4,4,17-trimethyl-3,15-dioxa-17-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1,5,7,9,12(16),13-hexaen-11-one
(12s,13r)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol
10,15-dihydroxy-14-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one
(12s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-17-ol
6-(methoxycarbonyl)phenazine-1-carboximidic acid
C15H11N3O3 (281.08003759999997)