Exact Mass: 271.0825232
Exact Mass Matches: 271.0825232
Found 500 metabolites which its exact mass value is equals to given mass value 271.0825232,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(R)-Higenamine
(RS)-norcoclaurine is a norcoclaurine. It is a conjugate base of a (RS)-norcoclaurinium. Higenamine is under investigation in clinical trial NCT01451229 (Pharmacokinetics and Pharmacodynamics of Higenamine in Chinese Healthy Subjects). Higenamine is a natural product found in Delphinium caeruleum, Aconitum triphyllum, and other organisms with data available. (R)-Higenamine is found in coffee and coffee products. (R)-Higenamine is an alkaloid from the seed embryo of Nelumbo nucifera (East India lotus). D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
Normorphine
Normorphine, also known as desmethylmorphine, belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. The compound has relatively little opioid activity in its own right, but is a useful intermediate which can be used to produce both opioid antagonists such as nalorphine, and also potent opioid agonists such as N-phenethylnormorphine. Normorphine is a very strong basic compound (based on its pKa). Its formation from morphine is catalyzed by the liver enzymes CYP3A4 and CYP2C8. Normorphine is a controlled substance listed under the Single Convention On Narcotic Drugs 1961 and the laws in various states implementing it; for example, in the United States, it is a Schedule I Narcotic controlled substance, with an ACSCN of 9313 and an annual aggregate manufacturing quota of 18 grams in 2014, unchanged from the prior year. Normorphine is an opiate analogue, the N-demethylated derivative of morphine, that was first described in the 1950s when a large group of N-substituted morphine analogues were characterized for activity. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
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.
Caranine
An indolizidine alkaloid that is galanthan substituted by analpha-hydroxy group at position 1 and a methylenedioxy group across position 9 and 10. An alkaloid commonly found in the members of the family amaryllidaceae.
(E,E)-Trichostachine
(E,E)-Trichostachine is found in herbs and spices. (E,E)-Trichostachine is an alkaloid from Piper nigrum (pepper Alkaloid from Piper nigrum (pepper). (E,E)-Trichostachine is found in herbs and spices and pepper (spice).
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
(4aR,10bS)-Noroxomaritidine
An isoquinoline alkaloid that is 4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-3-one carrying additional hydroxy and methoxy substituents at positions 8 and 9 respectively (the 4aR,10bS-diastereomer).
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
(±)-Tembamide
(±)-Tembamide is found in fruits. (±)-Tembamide is an alkaloid from the root of Aegle marmelos (bael fruit
Carotamine
Carotamine is found in root vegetables. Carotamine is isolated from carrots. Isolated from carrots. Carotamine is found in root vegetables.
Norhydromorphone
Norhydromorphone is only found in individuals that have used or taken Hydromorphone. Norhydromorphone is a metabolite of Hydromorphone. Norhydromorphone belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
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)
5,6-Dihydroxy-3-phenyl-1-aminomethylisochroman
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)
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.
indole-3-acetyl-proline
C15H15N2O3 (271.10826199999997)
Indole-3-acetyl-proline is also known as iaa-pro. Indole-3-acetyl-proline is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-proline can be found in a number of food items such as dill, black crowberry, savoy cabbage, and arrowhead, which makes indole-3-acetyl-proline 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.
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
zaprinast
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors
5-(1H-indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
N-{[(Isopropylamino)carbonyl]oxy}-2-[(1-methyl-1H-imidazol-2-yl)thio]ethanimidamide
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
7-methoxy-N-methyl flindersine|8-methoxy-N-methylflindersine|N-Methylhaplamine
1-[(2E,4E,6E)-7-(2-thienyl)-2,4,6-heptatrienoyl]-2,3-dehydropiperidine|Otanthusic acid 2,3-dehydropiperidide
6-amino-9-[1-(3,4-dihydroxy phenyl)ethyl]-9h-purine
(+/-)-3-oxoisoelaeocarpine|rac-(6aS,12aR,12bR)-1,2,6,6a,12a,12b-hexahydro-11-methyl-5H-chromeno[2,3-g]indolizine-3,12-dione
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
5,9-dimethoxy-2,2-dimethyl-[2H]-pyrano[2,3-b]quinoline
1,4-Lactone,tri-N-Ac-(2S,3S,4R)-2,3,5-Triamino-4-hydroxypentanoic acid
(7S)-(7at)-8,9-Dihydro-6H,7aH-7r,11ac-aethano-[1,3]dioxolo[4,5-k]phenanthridin-9t-ol|(7S)-(7at)-8,9-dihydro-6H,7aH-7r,11ac-ethano-[1,3]dioxolo[4,5-k]phenanthridin-9t-ol
3,5-dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
1-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
acetaminosalol
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Ocusert
A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.
Piperyline
A N-acylpyrrolidine that is pyrollidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.
Pilocarpine Nitrate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
5,8-Dimethoxy-7-hydroxy-1-methyl-4-azafluoren-9-one
Mefenamic acid Metabolite (Benzoic acid, 3-[(2-carboxyphenyl)amino]-2-methyl-)
Norhydromorphone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Higenamine
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
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
2-Propen-1-one,1-(4-fluorophenyl)-3-(3-nitrophenyl)-
Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate
2-(FURAN-2-CARBONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
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
(DIMETHYLAMINO)METHYLPHENYLOXOSULFONIUMTETRAFLUOROBORATE
10H-Phenothiazine-10-propanoicacid
C15H13NO2S (271.06669580000005)
(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
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)
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
Butanamide,N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-
L-PROLINE, 4-(2-NAPHTHALENYLOXY)-, METHYL ESTER, (4S)-
ETHYL 2-(PYRROLIDIN-3-YLOXY)BENZOATE HYDROCHLORIDE
Methyl 4-(piperidin-4-yloxy)benzoate hydrochloride
6-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBALDEHYDE
3-(furan-2-ylmethyl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
3-[(4-fluorophenyl)methyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzyl)-amine
[2-(4-Morpholinylsulfonyl)phenyl]boronic acid
C10H14BNO5S (271.06857040000006)
N-(3-Cyano-6-ethoxy-4-oxo-1,4-dihydro-7-quinolinyl)acetamide
ethyl5-((tert-butoxycarbonylamino)methyl)-1,2,4-oxadiazole-3-carboxylate
methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-4-methylsulfanyl-butyric acid
N,N-Diethyl 3-borono-4-methylbenzenesulfonamide
C11H18BNO4S (271.10495380000003)
5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
1-(1-Benzylpiperidin-3-yl)-2,2,2-trifluoroethanone
1-methyl-5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
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
4-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID ETHYL ESTER
subathizone
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
3-CHLORO-N N-BIS(TRIMETHYLSILYL)ANILINE&
C12H22ClNSi2 (271.09792419999997)
4-aminophenyl-alpha-d-glucopyranoside
2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
1-CYCLOHEXYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
3-((TERT-BUTOXYCARBONYL)AMINO)-4-CHLOROBENZOIC ACID
1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline
8-Methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid
(4-(N-ISOBUTYRYLSULFAMOYL)PHENYL)BORONIC ACID
C10H14BNO5S (271.06857040000006)
[(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-b]furanyl Succinimidyl Carbonate
5-(n-tert-butylsulfamoyl)-2-methylphenylboronic acid
C11H18BNO4S (271.10495380000003)
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
2-[(3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
(R)-2-(2-NAPHTHYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
tert-butyl (S)-2-(5-chloro-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
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
(3-(N-(tert-Butyl)-N-methylsulfamoyl)phenyl)boronic acid
C11H18BNO4S (271.10495380000003)
(3S)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one,nitric acid
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)
(4-(N,N-Diethylsulfamoyl)-2-methylphenyl)boronic acid
C11H18BNO4S (271.10495380000003)
P-AMINOPHENYL β-D-GLUCOPYRANOSIDE
4-(1-cyclopropyl-1,3-dioxobutan-2-yl)oxy-2,6-dimethylbenzonitrile
N,N-diethyl-3-(hydrazinecarbonyl)benzenesulfonamide
[3-(4-Morpholinylsulfonyl)phenyl]boronic acid
C10H14BNO5S (271.06857040000006)
ethyl 4-formyl-2,5-dimethyl-1-phenylpyrrole-3-carboxylate
Ethyl 3-((tert-butoxycarbonylamino)methyl)-1,2,4-oxadiazole-5-carboxylate
1-(Methylsulfonyl)pyrrole-3-boronic acid
C11H18BNO4S (271.10495380000003)
metiazinic acid
C15H13NO2S (271.06669580000005)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(2-Methyl-1-oxo-1-phenyl-2-propanyl)phenylazinic acid
2-Chloro-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
5,6-Dihydroxy-3-phenyl-1-aminomethylisochroman
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
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
1-Benzyl-3-methyl-1-(pyridin-3-ylmethyl)thiourea
C15H17N3S (271.11431220000003)
N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
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
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)
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
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-(3-Formyl-2,5-dimethyl-1-pyrrolyl)-4-methylbenzoic acid methyl ester
4-Amino-2-(2,4-dimethoxyanilino)-5-pyrimidinecarbonitrile
6-methyl-2-(methylthio)-N-phenyl-5-prop-2-enyl-4-pyrimidinamine
C15H17N3S (271.11431220000003)
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.
1-(6-Methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea
C15H17N3S (271.11431220000003)
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
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one
2,2-Dimethyl-3-spiro[5,6,7,8a-tetrahydrothiazolo[3,2-a]pyridine-8,4-thiane]one
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
2-[[Methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene]propanedinitrile
N-[(E)-1H-pyrrol-2-ylmethylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
N-(alpha-L-glutamyl)-2-naphthylamine(1-)
C15H15N2O3- (271.10826199999997)
N-(gamma-L-glutamyl)-2-naphthylamine(1-)
C15H15N2O3- (271.10826199999997)
An L-alpha-amino-acid anion obtained by deprotonation of the carboxy group of N-(gamma-L-glutamyl)-2-naphthylamine.
2-Aminoethyl (3-butoxy-2-hydroxypropyl) hydrogen phosphate
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
1-(Chloromethyl)-1,1,3,3,3-pentametyl-2-phenyl-disilazane
C12H22ClNSi2 (271.09792419999997)
(3S,4R)-3-ethyl-4-[(3-methyl-1H-imidazol-3-ium-4-yl)methyl]oxolan-2-one;nitrate
(4aS,10bR)-Noroxomaritidine
An isoquinoline alkaloid that is 4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-3-one carrying additional hydroxy and methoxy substituents at positions 8 and 9 respectively (the 4aS,10bR-diastereomer).
Normorphine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
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
8-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
methyl 1-hydroxy-6-methoxy-9h-carbazole-3-carboxylate
1-(4-hydroxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol
4-hydroxy-1-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclopent-2-ene-1-carbonitrile
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"}