Exact Mass: 271.0548112
Exact Mass Matches: 271.0548112
Found 411 metabolites which its exact mass value is equals to given mass value 271.0548112,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Luteolinidin
Luteolinidin is found in corn. Luteolinidin is a chemical compound belonging to the 3-deoxyanthocyanidins and that can be found in Sorghum bicolor Luteolinidin is a chemical compound belonging to the 3-deoxyanthocyanidins and that can be found in Sorghum bicolor.
Pelargonidin
Pelargonidin, also known as pelargonidin chloride (CAS: 134-04-3) is an anthocyanin. Anthocyanins are water-soluble glycosides and acylglycosides of anthocyanidins, which are polyhydroxy and polymethoxyl derivatives of a 2-phenylbenzopyrylium (flavylium) cation. They are widely distributed in foods of plant origin, especially in fruits and vegetables with dark red and blue colours. Numerous epidemiologic and clinical trials show that fruits and vegetables, many of which are rich in anthocyanins, may be related to the decreased incidence of many chronic and degenerative diseases, including heart disease, cancer, and aging. Antioxidant mechanisms were suggested as potential means of disease prevention. Anthocyanins are strong antioxidants in vitro. In most cases, fruits and vegetables with high anthocyanin content were shown to have higher antioxidant capacity than other fruits and vegetables. Whether anthocyanins are effective antioxidants in vivo remains an open question primarily because of the relatively low apparent absorption of anthocyanins compared with other phenolic compounds (PMID: 15465754). BioTransformer predicts that pelargonidin is a product of 5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-3,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium metabolism via a glycoside-hydrolysis reaction occurring in human gut microbiota and catalyzed by an EC.3.2.1.X enzyme (PMID: 30612223). Anthocyanin pigment present in many plants, flowers and fruits, e.g. cherries, raspberries, radishes, orchids, brassicas, Petunia subspecies Glycosides also widely distributed. Pelargonidin is found in many foods, some of which are almond, radish (variety), garden tomato, and tarragon.
3,5-Dinitro-Tyr-OH
A non-proteinogenic L-alpha-amino acid that is L-tyrosine substituted by nitro groups at positions 3 and 5.
Clorgiline
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor Same as: D03248
Prinaberel
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
Pummeline
Pummeline is found in citrus. Pummeline is an alkaloid from roots of several hybrid seedlings resulting from a cross of Pummelo (Citrus grandis cv. May Pummelo x Marsh grapefruit (Citrus paradisi) (Rutaceae)). Alkaloid from roots of several hybrid seedlings resulting from a cross of Pummelo (Citrus grandis cv. May Pummelo x Marsh grapefruit (Citrus paradisi) (Rutaceae)). Pummeline is found in citrus.
Koeniginequinone B
Koeniginequinone B is found in herbs and spices. Koeniginequinone B is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree
Carotamine
Carotamine is found in root vegetables. Carotamine is isolated from carrots. Isolated from carrots. Carotamine is found in root vegetables.
Brassica oleracea Alkaloid
Brassica oleracea Alkaloid is found in brassicas. Brassica oleracea Alkaloid is an alkaloid found on the leaf surfaces of Brassica oleracea cv. botrytis (cauliflower).
4-hydroxy ketorolac
4-hydroxy ketorolac is a metabolite of ketorolac. Ketorolac or ketorolac tromethamine (marketed under the trademarks Toradol and Acular in the US, where generics have also been approved, and various other brand names Minolac {ACI Pharmaceuticals} around the world) is a non-steroidal anti-inflammatory drug (NSAID) in the family of heterocyclic acetic acid derivatives, often used as an analgesic. Ketorolac acts by inhibiting the bodily synthesis of prostaglandins. (Wikipedia)
1,3-Dioxolane-2-methanol,4-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-trans)-(9CI)
C9H10ClN5O3 (271.04721400000005)
4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Amoscanate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Phosphinic amide, bis(1-aziridinyl)-N-bis(2-chloroethyl)-
Carbutamide
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents
Ciadox
C12H9N5O3 (271.07053640000004)
Muzolimine
C11H11Cl2N3O (271.02791360000003)
C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CD - Pyrazolone derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
N-Methyl-D-glucamine dithiocarbamate
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
Xanthoxotin
Xanthoxotin is a member of the class of compounds known as acridones. Acridones are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Xanthoxotin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoxotin can be found in wild celery, which makes xanthoxotin a potential biomarker for the consumption of this food product.
(2R,3R)-pinobanksin
(2r,3r)-pinobanksin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-pinobanksin can be found in a number of food items such as nectarine, apple, muscadine grape, and ucuhuba, which makes (2r,3r)-pinobanksin a potential biomarker for the consumption of these food products.
p-coumaroyltriacetic acid lactone
P-coumaroyltriacetic acid lactone belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. P-coumaroyltriacetic acid lactone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). P-coumaroyltriacetic acid lactone can be found in a number of food items such as yellow zucchini, lowbush blueberry, fruits, and napa cabbage, which makes P-coumaroyltriacetic acid lactone a potential biomarker for the consumption of these food products.
1,2-Dihydrothiazolo[2,3:2,3]pyrimido[4,5-b]indole-1-carboxylic acid
Carbutamide
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3352; ORIGINAL_PRECURSOR_SCAN_NO 3348 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3439; ORIGINAL_PRECURSOR_SCAN_NO 3438 ORIGINAL_ACQUISITION_NO 3414; ORIGINAL_PRECURSOR_SCAN_NO 3413; CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3414; ORIGINAL_PRECURSOR_SCAN_NO 3413 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3429; ORIGINAL_PRECURSOR_SCAN_NO 3428 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3359; ORIGINAL_PRECURSOR_SCAN_NO 3357 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3356; ORIGINAL_PRECURSOR_SCAN_NO 3354 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7017; ORIGINAL_PRECURSOR_SCAN_NO 7015 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7050; ORIGINAL_PRECURSOR_SCAN_NO 7047 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7068; ORIGINAL_PRECURSOR_SCAN_NO 7066 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7086; ORIGINAL_PRECURSOR_SCAN_NO 7084 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7089 CONFIDENCE standard compound; INTERNAL_ID 698; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7098; ORIGINAL_PRECURSOR_SCAN_NO 7093
5-(1H-indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
1-(2-Thienyl)-4H-(1,2,4)triazolo(3,4-c)(1,4)benzothiazine
Prop-2-ynyl N-[4-(trifluoromethyl)benzoyl]carbamate
dimethenamid OXA
A monocarboxylic acid that is oxoacetic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. It is a metabolite of the herbicide dimethenamid. CONFIDENCE standard compound; EAWAG_UCHEM_ID 259 CONFIDENCE standard compound; INTERNAL_ID 2040
1-[(2E,4E,6E)-7-(2-thienyl)-2,4,6-heptatrienoyl]-2,3-dehydropiperidine|Otanthusic acid 2,3-dehydropiperidide
1,3-Dihydroxy-4-methoxy-10-methylacridin-9(10H)-one
1,3-Dihydroxy-5-methoxy-10-methyl-9,10-dihydroacridine-9-one
1,8-Dihydroxy-3-methoxy-10-methylacridin-9(10H)-one
O1-[3]pyridyl-beta-D-glucopyranuronic acid|O1-[3]Pyridyl-beta-D-glucopyranuronsaeure
3,6-Dimethoxy-4-methyl-7-hydroxy-5H-indeno[1,2-b]pyridin-5-one
3,5-dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
acetaminosalol
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
5,8-Dimethoxy-7-hydroxy-1-methyl-4-azafluoren-9-one
Mefenamic acid Metabolite (Benzoic acid, 3-[(2-carboxyphenyl)amino]-2-methyl-)
Brassica oleracea Alkaloid
pelargonidin
An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4.
Sulfamide, (3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)- (9CI)
(4-BUTOXY-BENZOYLAMINO)-ACETICACID
C14H14BNO4 (271.10158340000004)
(S)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine
5-(4-FLUORO-PHENYL)-4-PYRIDIN-3-YL-1H-IMIDAZOLE-2-THIOL
5-(4-FLUORO-PHENYL)-4-PYRIDIN-2-YL-1H-IMIDAZOLE-2-THIOL
Ethyl2-chloro-2-[2-(2-nitrophenyl)hydrazono]acetate
2-Propen-1-one,1-(4-fluorophenyl)-3-(3-nitrophenyl)-
4,6-dichloro-1-tetrahydropyran-4-yl-pyrazolo[4,3-c]pyridine
C11H11Cl2N3O (271.02791360000003)
Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate
2-(FURAN-2-CARBONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
pentrinitrol
C5H9N3O10 (271.02879340000004)
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
1-Ethy-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Ciadox
C12H9N5O3 (271.07053640000004)
Isocyano(phenyl)methyl 4-methylphenyl sulfone
C15H13NO2S (271.06669580000005)
Ftivazide
D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
METHYL 3-CHLORO-4-CYANO-[1,1-BIPHENYL]-3-CARBOXYLATE
METHYL 3-CHLORO-4-CYANO-[1,1-BIPHENYL]-4-CARBOXYLATE
(DIMETHYLAMINO)METHYLPHENYLOXOSULFONIUMTETRAFLUOROBORATE
10H-Phenothiazine-10-propanoicacid
C15H13NO2S (271.06669580000005)
p-nitrophenyl alpha-l-arabinopyranoside
Methyl 4-hydroxy-8-(trifluoromethyl)quinoline-2-carboxylate
(R)-N-Methyl-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine
2-(2-AMINOPHENYL)-5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOLE
3-(TERT-BUTOXYCARBONYLAMINO)-4-CHLOROPHENYLBORONIC ACID
ETHYL 4-CHLORO-2-MORPHOLINOPYRIMIDINE-5-CARBOXYLATE
C11H14ClN3O3 (271.07236439999997)
(Rac)-WAY-161503
C11H11Cl2N3O (271.02791360000003)
(Rac)-WAY-161503 is a potent, selective, highly affinity 5-HT2C receptor agonist with a Ki of 4 nM and an EC50 of 12 nM. (Rac)-WAY-161503 displays higher affinity for 5-HT2C than 5-HT2A and 5-HT2B receptors. (Rac)-WAY-161503 has anti-obesity and antidepressant effects[1][2].
B-D-Glucopyranose,1,6-anhydro-2-azido-2-deoxy-,3,4-diacetate
C10H13N3O6 (271.08043180000004)
1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]ethanone,hydrochloride
2-(5-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)OXAZOL-4-YL)ETHANOL
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
TERT-BUTYL (5-CHLOROBENZO[D][1,3]DIOXOL-4-YL)CARBAMATE
5-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
(r)-3-amino-4-(3-benzothienyl)butanoic acid hydrochloride
Butanamide,N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-
ETHYL 2-(PYRROLIDIN-3-YLOXY)BENZOATE HYDROCHLORIDE
Methyl 4-(piperidin-4-yloxy)benzoate hydrochloride
(s)-3-amino-4-(3-benzothienyl)butanoic acid hydrochloride
6-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBALDEHYDE
3-[(4-fluorophenyl)methyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
4-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOLE-5-CARBALDEHYDE
2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
5-BROMO-3-[1,4]DIAZEPAN-1-YL-PYRAZIN-2-YLAMINE
C9H14BrN5 (271.04325040000003)
6-BROMO-3-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2]BIPYRAZINYL-3-YLAMINE
C9H14BrN5 (271.04325040000003)
[2-(4-Morpholinylsulfonyl)phenyl]boronic acid
C10H14BNO5S (271.06857040000006)
N-(3-Cyano-6-ethoxy-4-oxo-1,4-dihydro-7-quinolinyl)acetamide
2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-4-methylsulfanyl-butyric acid
5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
(6-BENZHYDRYLOXYCARBONYLAMINO-PURIN-9-YL)-ACETICACID
5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-thiazolidin-4-one
2-amino-7-chloro-5-oxo-5H-(1)benzopyrano-(2,3-b)-pyridine-3-carbonitrile
1-methyl-5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
4-Chloro-7,8-difluoroquinoline-3-carboxylic acid ethyl ester
3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
methyl 6-pyrazin-2-ylthieno[3,2-b]pyridine-3-carboxylate
1-(4-FLUOROPHENYL)-3-OXO-1,3-DIHYDROISOBENZOFURAN-5-CARBOXAMIDE
8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid(SALTDATA: FREE)
4-METHYL-1-(3-NITRO-5-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZOLE
3-((TERT-BUTOXYCARBONYL)AMINO)-3-(THIOPHEN-2-YL)PROPANOIC ACID
subathizone
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
3-CHLORO-N N-BIS(TRIMETHYLSILYL)ANILINE&
C12H22ClNSi2 (271.09792419999997)
Ethyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
3-((TERT-BUTOXYCARBONYL)AMINO)-4-CHLOROBENZOIC ACID
1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline
8-Methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid
6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline
(4-(N-ISOBUTYRYLSULFAMOYL)PHENYL)BORONIC ACID
C10H14BNO5S (271.06857040000006)
[(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-b]furanyl Succinimidyl Carbonate
4-(4-(Methylsulfonamido)phenyl)-4-oxobutanoic acid
1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N-METHYLETHANAMINE
3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-THIENYL)PROPANOIC ACID
1,2,3,3-tetramethyl-3H-indolium dihydrogen phosphate
(4-((4-Methoxyphenyl)carbamoyl)phenyl)boronic acid
C14H14BNO4 (271.10158340000004)
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
7-METHYL-4-(METHYLTHIO)-8-PHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-AMINE
C13H13N5S (271.08916180000006)
6-(3-FLUOROPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE
4-CHLORO-5,8-DIFLUOROQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
2-[(3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
(R)-2-(2-NAPHTHYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
4-(2-DiMethylaMino)ethoxycinnaMic Acid Hydrochloride
3,4-dihydro-3-oxo-4-β-D-ribofuranosyl-2-pyrazinecarboxaMide
C10H13N3O6 (271.08043180000004)
1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CarbaMic acid, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-, 1,1-diMethylethyl ester
5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Ethyl 4-chloro-6,8-difluoroquinoline-3-carboxylate
tert-Butyl (1-(4-chlorophenyl)-2-hydroxyethyl)carbamate
(4-BENZYL-MORPHOLIN-2-YL)-ACETIC ACID HYDROCHLORIDE
tert-butyl N-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]carbamate
(2,3,5,6-tetramethyl-benzenesulfonylamino)-acetic acid
5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine
(3-((4-Methoxyphenyl)carbamoyl)phenyl)boronic acid
C14H14BNO4 (271.10158340000004)
(4-(N-(3-(4-METHYLPIPERAZIN-1-YL)PROPYL)SULFAMOYL)PHENYL)BORONIC ACID
C10H14BNO5S (271.06857040000006)
N,N-diethyl-3-(hydrazinecarbonyl)benzenesulfonamide
1-benzyl-3-carboxylatopyridinium sodium chloride
C13H11ClNNaO2 (271.03759759999997)
1-(2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-4-YL)ETHAN-1-ONE
2-[4-(chloromethyl)phenyl]-5-(trifluoromethyl)pyridine
[3-(4-Morpholinylsulfonyl)phenyl]boronic acid
C10H14BNO5S (271.06857040000006)
2-(4-METHYLSULPHONYL-2-NITROPHENYL)MALONDIALDEHYDE
metiazinic acid
C15H13NO2S (271.06669580000005)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-Chloro-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
2-Amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid
CPPG ((RS)-CPPG) is a potent group II/III mGlu receptors antagonist. CPPG exhibits some selectivity (approximately 20 fold) for group III (IC50=2.2 nM) over group II (IC50=46.2 nM) mGlu receptors in the rat cerebral cortex. CPPG has weak effects at group I mGlu receptors[1].
N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-ol
5-benzyl-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
C15H13NS2 (271.04893780000003)
4-[2-(Phenylsulfonyl)ethyl]thiomorpholine
C12H17NO2S2 (271.07006620000004)
4-Cyano-3-methyl-5-(4-methylphenyl)-2-thiophenecarbohydrazide
3-(2,4-dimethylphenyl)-N-(2-thienylmethyl)acrylamide
7-[(3,5-Dimethyl-4-isoxazolyl)methoxy]-1-benzopyran-2-one
4-hydroxy-6-isopropyl-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
2-chloro-N-[(methylcarbamoylamino)-sulfanylidenemethyl]benzamide
C10H10ClN3O2S (271.01822300000003)
3-(2-Phenoxyethyl)-1,3-benzothiazol-2-one
C15H13NO2S (271.06669580000005)
2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanamine
4-Chloro-N,N-bis(trimethylsilyl)aniline
C12H22ClNSi2 (271.09792419999997)
2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-C]pyran-3-carboxylic acid
Clorgiline
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor Same as: D03248
Muzolimine
C11H11Cl2N3O (271.02791360000003)
C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CD - Pyrazolone derivatives C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
4-hydroxy ketorolac
4-hydroxy ketorolac is a metabolite of ketorolac. Ketorolac or ketorolac tromethamine (marketed under the trademarks Toradol and Acular in the US, where generics have also been approved, and various other brand names Minolac {ACI Pharmaceuticals} around the world) is a non-steroidal anti-inflammatory drug (NSAID) in the family of heterocyclic acetic acid derivatives, often used as an analgesic. Ketorolac acts by inhibiting the bodily synthesis of prostaglandins. (Wikipedia)
1,3-Dioxolane-2-methanol,4-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-trans)-(9CI)
C9H10ClN5O3 (271.04721400000005)
(2R,3R)-pinobanksin
(2r,3r)-pinobanksin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (2r,3r)-pinobanksin can be found in a number of food items such as nectarine, apple, muscadine grape, and ucuhuba, which makes (2r,3r)-pinobanksin a potential biomarker for the consumption of these food products.
1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-3-propanedione
2-Methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoate
5-(3-Chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
1-(1,3-Benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea
(3-Bromo-2,5-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
3-(1,5-dimethyl-3-pyrazolyl)-4-phenyl-1H-1,2,4-triazole-5-thione
C13H13N5S (271.08916180000006)
2-[2-methoxy-4-(methylthio)phenyl]-3H-imidazo[4,5-c]pyridine
3-(4-Ethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-2-naphthalenone
(S)-naringenin(1-)
A flavonoid oxoanion that is the conjugate base of (S)-naringenin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
2-Chloro-3-[2-(4-methylphenyl)-5-tetrazolyl]pyridine
1-(1,3-Benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea
2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
1-(2-methyl-1H-indol-3-yl)-2-(2-thiazolylamino)ethanone
3-Amino-4-[[(4-aminophenyl)-oxomethyl]amino]benzoic acid
3-[2-(4-Fluorophenyl)-5-tetrazolyl]-2-methoxypyridine
C13H10FN5O (271.08693420000003)
2,4,4,6-Tetrahydroxychalcone(1-)
A phenolate anion that is the conjugate base of 2,4,4,6-tetrahydroxychalcone, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3.
3-[4-methyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-pyrrolyl)acetamide
3-(2-methyl-3-furanyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
N-[(5-chloropyridin-2-yl)carbamothioyl]-3-methylbutanamide
Rubrofusarin(1-)
A phenolate anion obtained by deprotonation of the 5-hydroxy group of rubrofusarin. It is the major microspecies at pH 7.3.
2,4-dihydroxy-6-[(3E,5E,7E)-2-oxonona-3,5,7-trienyl]benzaldehyde
[(E)-1-(4-methylphenyl)ethylideneamino] 4-fluorobenzoate
N-[(E)-1H-pyrrol-2-ylmethylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
1-(Chloromethyl)-1,1,3,3,3-pentametyl-2-phenyl-disilazane
C12H22ClNSi2 (271.09792419999997)
amoscanate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
12R-LOX-IN-2
12R-LOX-IN-2 (compound 7b) is an inhibitor of 12R-lipoxygenase (12R-LOX). 12R-LOX-IN-2 inhibits imiquimod (IMQ)-induced hyperproliferation of psoriatic keratinocytes and suppresses colony formation. 12R-LOX-IN-2 also reduced the protein level of Ki67 and the mRNA expression of IL-17A in IMQ-induced cells. 12R-LOX-IN-2 can be used in research into psoriasis and other skin-related inflammatory diseases[1].
3,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
C10H13N3O6 (271.08043180000004)
(2s,3r,5r,6r)-3,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
C10H13N3O6 (271.08043180000004)
2-{[hydroxy(phenyl)methylidene]amino}-4-methoxybenzoic acid
8-methoxy-2-methyl-5h-chromeno[4,3-b]pyridine-10-carboxylic acid
methyl 1-hydroxy-6-methoxy-9h-carbazole-3-carboxylate
2-benzamidobenzoic acid; 4-hydroxy,me ester
{"Ingredient_id": "HBIN005348","Ingredient_name": "2-benzamidobenzoic acid; 4-hydroxy,me ester","Alias": "NA","Ingredient_formula": "C15H13NO4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8689","PubChem_id": "NA","DrugBank_id": "NA"}