Exact Mass: 330.023
Exact Mass Matches: 330.023
Found 281 metabolites which its exact mass value is equals to given mass value 330.023,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Furosemide
Furosemide or frusemide is a loop diuretic used in the treatment of congestive heart failure and edema. It is most commonly marketed by Aventis Pharma under the brand name Lasix. It has also been used to prevent thoroughbred race horses from bleeding through the nose during races. An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed) It acts by inhibiting translocation during protein synthesis. Potential contaminant in cows milk arising from its use in dairy cattle for the treatment of physiological parturient edema D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides D049990 - Membrane Transport Modulators Furosemide is a potent and orally active inhibitor of Na+/K+/2Cl-?(NKCC) cotransporter, NKCC1 and NKCC2[1].?Furosemide is also a GABAA?receptors antagonist and displays 100-fold selectivity for?α6-containing receptors than?α1-containing receptors. Furosemide acts as a loop diuretic and used for the study of congestive heart failure, hypertension and edema[2].
(±)-Fenarimol
CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9386; ORIGINAL_PRECURSOR_SCAN_NO 9383 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4478; ORIGINAL_PRECURSOR_SCAN_NO 4475 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9454; ORIGINAL_PRECURSOR_SCAN_NO 9451 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4990; ORIGINAL_PRECURSOR_SCAN_NO 4987 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4961; ORIGINAL_PRECURSOR_SCAN_NO 4959 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4563; ORIGINAL_PRECURSOR_SCAN_NO 4561 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9431; ORIGINAL_PRECURSOR_SCAN_NO 9426 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4978; ORIGINAL_PRECURSOR_SCAN_NO 4977 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9464; ORIGINAL_PRECURSOR_SCAN_NO 9462 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9492; ORIGINAL_PRECURSOR_SCAN_NO 9490 CONFIDENCE standard compound; INTERNAL_ID 1087; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9499; ORIGINAL_PRECURSOR_SCAN_NO 9498 (±)-Fenarimol is an Agricultural and horticultural fungicide. Agricultural and horticultural fungicide D016573 - Agrochemicals D010575 - Pesticides
Malathion
Malathion is only found in individuals that have used or taken this drug. It is a wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes. [PubChem]Malathion is a nonsystemic, wide-spectrum organophosphate insecticide. It inhibits acetylcholinesterase activity of most eukaryotes. Malathion is toxic to aquatic organisms, but has a relatively low toxicity for birds and mammals. The major metabolites of malathion are mono- and di-carboxylic acid derivatives, and malaoxon is a minor metabolite. However, it is malaoxon that is the strongest cholinesterase inhibitor. Cholinesterases catalyze the hydrolysis of the neurotransmitter acetylcholine into choline and acetic acid, a reaction necessary to allow a cholinergic neuron to return to its resting state after activation. Because of its essential function, chemicals that interfere with the action of cholinesterase are potent neurotoxins, causing muscle spasms and ultimately death. P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Pyrroloquinoline quinone
Enzymes containing PQQ are called quinoproteins. PQQ and quinoproteins play a role in the redox metabolism and structural integrity of cells and tissues [PMID:2558842]. It was reported that aminoadipate semialdehyde dehydrogenase (AASDH) might also use PQQ as a cofactor, suggesting a possibility that PQQ is a vitamin in mammals. [PMID:12712191]. Believed to be a mammalian redox-cofactor vitamin (B group). Widely distributed in various foods such as vegetables and meat. Methoxatin is found in animal foods and green vegetables. Pyrroloquinoline quinone (PQQ), a redox co-factor, is an anionic, redox-cycling orthoquinone. Pyrroloquinoline quinone is isolated from cultures of methylotropic bacteria and tissues of mammals. Pyrroloquinoline quinone is an essential nutrient for mammals and is important for immune function[1][2].
3,5-Cyclic IMP
A 3,5-cyclic purine nucleotide having hypoxanthine as the nucleobase.
N-(3-(Trifluoromethyl)phenyl)-N'-(2-hydroxy-5-chlorophenyl)urea
Aluminium acetoacetate
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02A - Antacids > A02AB - Aluminium compounds
almecillin
A penicillin where the side-chain N-acyl group is specified as allylmercaptoacetyl. Antibiotic isolated from Penicillium chrysogenum. C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
2,3-Di-O-methylellagic acid
2,3-Di-O-methylellagic acid is found in fats and oils. 2,3-Di-O-methylellagic acid is a constituent of the Chinese tallowtree (Sapium sebiferum). Constituent of the Chinese tallowtree (Sapium sebiferum). 2,3-Dimethylellagic acid is found in fats and oils.
Inosine 2',3'-cyclic phosphate
Inosine-2′,3′-cyclic phosphate is a cyclic nucleotide. A cyclic nucleotide is any nucleotide in which the phosphate group is bonded to two of the sugars hydroxyl groups, forming a cyclical or ring structure. 2,3 cyclic IMP is a substrate for 2,3-cyclic-nucleotide 3-phosphodiesterase (EC 3.1.4.37). This enzyme (also called CNP) catalyzes the chemical reaction: nucleoside 2,3-cyclic phosphate + H2O <-> nucleoside 2-phosphate. CNP is a myelin-associated enzyme that makes up 4\\% of total CNS myelin protein, and is thought to undergo significant age-associated changes. The absence of CNP causes axonal swelling and neuronal degeneration. The biological role of cyclic 2,3 monophosphates is not clear, although it is thought to have something to do with neuronal stasis or development.
Blighinone
Blighinone is found in fruits. Quinone from the fruit pulp of Blighia sapida (akee apple
2,8-Di-O-methylellagic acid
2,8-Di-O-methylellagic acid is found in fruits. 2,8-Di-O-methylellagic acid is a constituent of the Java plum (Eugenia jambolana). Constituent of the Java plum (Eugenia jambolana). 2,8-Dimethylellagic acid is found in fruits.
5-Hydroxydantrolene
5-Hydroxydantrolene is a metabolite of dantrolene. Dantrolene sodium is a muscle relaxant that acts by abolishing excitation-contraction coupling in muscle cells, probably by action on the ryanodine receptor. It is the only specific and effective treatment for malignant hyperthermia, a rare, life-threatening disorder triggered by general anesthesia. (Wikipedia)
6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(4-carboxy-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(4-carboxy-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(2-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(2-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(3-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(3-carboxy-5-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,5-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(3-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(3-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,3-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(2-carboxy-6-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(2-carboxy-6-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,3-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(3-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(3-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,5-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-(2-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(2-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2,5-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
(2r)-(4-Chlorophenyl)[3-(Trifluoromethyl)phenoxy]ethanoic Acid
5-Hydroxy Dantrolene
Almecillin
Mivotilate
C26170 - Protective Agent > C2081 - Hepatoprotective Agent
Frusemide
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 2600 D049990 - Membrane Transport Modulators Furosemide is a potent and orally active inhibitor of Na+/K+/2Cl-?(NKCC) cotransporter, NKCC1 and NKCC2[1].?Furosemide is also a GABAA?receptors antagonist and displays 100-fold selectivity for?α6-containing receptors than?α1-containing receptors. Furosemide acts as a loop diuretic and used for the study of congestive heart failure, hypertension and edema[2].
Oprea1_264874
3,3-Di-O-methylellagic acid is a natural product found in Kunzea ambigua, Lagerstroemia speciosa, and other organisms with data available.
1-(4-Brom-phenyl)-4-phenyl-butan-1,2,4-trion|1-(4-bromo-phenyl)-4-phenyl-butane-1,2,4-trione
(+)-(6S,8R,9R)-8-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro<5.5>undec-3-en-2-one|(+)-(6S,8R,9R)-8-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-one|(8R,9R)-8-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro<5.5>undec-3-en-2-one|(8R,9R)-8-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-one
Hurgadenyne|Hurgadenyne (rel.(1S,3R,4S)-4-(1-bromonona-3,6-cis,cis-dien-8-ynyl)-2-chloro-3-ethyl-1,2,3,4-tetrahydrofuran)|Hurgadenyne [rel.(1S,3R,4S)-4-(1-bromonona-3,6-cis,cis-dien-8-ynyl)-2-chloro-3-ethyl-1,2,3,4-tetrahydrofuran]
4-(4-Brom-phenyl)-1-phenyl-butan-1,2,4-trion|4-(4-bromo-phenyl)-1-phenyl-butane-1,2,4-trione
2,2-Dimethoxy-3,3-dihydroxy-5,5-oxygen-6,6-biphenylformic anhydride
1-Methyl-3,6,7,8-tetrahydroxy-anthrachinon-2-carbonsaeure (Ceroalbolinsaeure)|Ceroalbolinsaeure
furosemide
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 635; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3731; ORIGINAL_PRECURSOR_SCAN_NO 3727 CONFIDENCE standard compound; INTERNAL_ID 635; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3749; ORIGINAL_PRECURSOR_SCAN_NO 3747 CONFIDENCE standard compound; INTERNAL_ID 635; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3780; ORIGINAL_PRECURSOR_SCAN_NO 3777 CONFIDENCE standard compound; INTERNAL_ID 635; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3741; ORIGINAL_PRECURSOR_SCAN_NO 3739 CONFIDENCE standard compound; INTERNAL_ID 635; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3729; ORIGINAL_PRECURSOR_SCAN_NO 3727 CONFIDENCE standard compound; INTERNAL_ID 635; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3727; ORIGINAL_PRECURSOR_SCAN_NO 3723 CONFIDENCE standard compound; INTERNAL_ID 2692 CONFIDENCE standard compound; INTERNAL_ID 4078 CONFIDENCE standard compound; INTERNAL_ID 8501 Furosemide is a potent and orally active inhibitor of Na+/K+/2Cl-?(NKCC) cotransporter, NKCC1 and NKCC2[1].?Furosemide is also a GABAA?receptors antagonist and displays 100-fold selectivity for?α6-containing receptors than?α1-containing receptors. Furosemide acts as a loop diuretic and used for the study of congestive heart failure, hypertension and edema[2].
FENARIMOL
D016573 - Agrochemicals D010575 - Pesticides
2,3-Di-O-methylellagic acid
2,8-Di-O-methylellagic acid
METHYL 1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
methyl 1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridine-2-carboxylate
3-allyl-5-(4-methoxyphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3h)-one
halauxifen
A pyridinemonocarboxylic acid that is 4-amino-3-chloropyridine-2-carboxylic acid which is substituted by a 4-chloro-2-fluoro-3-methoxyphenyl group at position 6. It is a herbicide used for the control of broad-leaved weeds in cereals and oilseed rape.
SODIUM 4-((2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-2-YL)METHOXY)BUTANE-1-SULFONATE
tert-Butyl 5-bromo-7-chloro-1H-pyrrolo[2,3-c]pyridine-1-carboxylate
4-[(2-chloro-5-(trifluoromethyl)phenoxy)methyl]phenylboronic acid
3-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenylboronic acid
4-[(4-CHLOROPHENYL)SULFONYL]-3-METHYLTHIOPHENE-2-CARBOHYDRAZIDE
METHYL 4-[(4-CHLOROPHENYL)SULFONYL]-3-METHYLTHIOPHENE-2-CARBOXYLATE
Iron,[N-[2-[bis[(carboxy-kO)methyl]amino-kN]ethyl]-N-[2-(hydroxy-kO)ethyl]glycinato(3-)-kN,kO]-
N-[1-(2-HYDROXY-2-PHENYL-ETHYL)-PIPERIDIN-4-YL]-N-PHENYL-PROPIONAMIDE
4-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone
2-(2-(Bromomethyl)-4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(2-Iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Cobalt (1+), bis(1,2-ethanediamine-N,N)bis(nitrito-N)-, (OC-6-12)-, nitrate
ETHYL 1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
sodium,[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] sulfate
(5S)-N-[3-(4-BROMO-3-FLUOROPHENYL)-2-OXOOXAZOLIDIN-5-YLMETHYL]ACETAMIDE
5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole
3-IODO-8-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
3-IODO-6-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
3-IODO-7-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
3-(1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)-2-NITROPYRIDINE
calcium,5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
ETHYL 6,6-DIMETHYL-3-(METHYLSULFONYL)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
2-(2-bromo-5-methoxyphenyl)-4-pyridin-2-yl-1,3-oxazole
6-BROMO-3-PHENYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
ethyl 3-[1-(3-chlorophenyl)-2-ethoxy-2-oxoethyl]sulfanylpropanoate
2-BENZYLAMINO-5-TRIFLUOROMETHYL-BENZENESULFONAMIDE
4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
2-(4-Bromo-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Pirazolac
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-(chloromercuri)phenol
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
6-Chloro-5-(2-methoxyphenoxy)-2,2-bipyrimidin-4(5H)-one
ethyl 3-[1-(2-chlorophenyl)-2-ethoxy-2-oxoethyl]sulfanylpropanoate
2-(3-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine
5-[1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo- 2-thioxo-3- thiazolidineacetic acid
(6R)-7t-amino-8-oxo-3-[1,3,4]thiadiazol-2-ylsulfanylmethyl-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
((2-bromo-5-methoxybenzyl)oxy)(tert-butyl)dimethylsilane
METHYL 4-BROMO-6-((TERT-BUTOXYCARBONYL)AMINO)PICOLINATE
2-(6-BROMO-2-FLUORO-3-METHOXYPHENYL)-1,3,2-DIOXABOROLANE
2-(4-(Bromomethyl)-2-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
3-(4-Bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
3-(4-Bromophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
(2-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenyl)boronic acid
Kermesic Acid
A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by methyl and carboxy groups at positions 1 and 2 respectively. It is a natural dye isolated from the insect species Kermes ilices.
4-Chlorophenyl-[3-(trifluoromethyl)phenoxy]acetic acid
Methyl 2-[4-(methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester
1-[(2-Chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxamide
6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one
6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4-dihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
4-[(4-chlorobenzyl)amino]-3-nitro-2H-chromen-2-one
(5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
3-amino-4,6-dimethyl-N-(2-thienylmethylene)thieno[2,3-b]pyridine-2-carbohydrazide
N-[4-(6-chloro-5-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester
N-[3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
2-[[4-Cyano-3-[(2-methoxy-2-oxoethyl)thio]-5-isothiazolyl]thio]acetic acid ethenyl ester
N-[3-(2-chlorophenyl)-4-oxo-2-thiazolidinylidene]benzamide
3-bromo-4-methoxy-N-(propan-2-ylcarbamothioyl)benzamide
5-[(4,7-dihydroxy-2-oxochromen-3-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid
(R)-(2,4-dichlorophenyl)(phenyl)pyrimidin-5-ylmethanol
(S)-(2,4-dichlorophenyl)(phenyl)pyrimidin-5-ylmethanol
N-carbamoyl-2-[(2E)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
6-(2-Formyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[2-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropyl] acetate
Phosphoric acid bis(2-acetoxy-3-hydroxypropyl) ester
4-Bromo-6-hydroxy-7-methoxy-2-phenylcycloheptimidazole
malathion
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
pyrroloquinoline quinone
Pyrroloquinoline quinone (PQQ), a redox co-factor, is an anionic, redox-cycling orthoquinone. Pyrroloquinoline quinone is isolated from cultures of methylotropic bacteria and tissues of mammals. Pyrroloquinoline quinone is an essential nutrient for mammals and is important for immune function[1][2].
6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(4-carboxy-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(3-carboxy-4-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
2-Deoxyinosine 5-phosphate(2-)
A 2-deoxyribonucleoside 5-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2-deoxyinosine 5-monophosphate; major species at pH 7.3.
cacibiocin A
An aminocoumarin resulting from the formal condensation of one of the carboxy groups of pyrrole-2,5-dicarboxylic acid with the amino group of 3-amino-4,7-dihydroxycoumarin. It is a natural product isolated from Catenulispora acidiphila that doesnt exhibit an antimicrobial activity contrary to most aminocoumarins.
(2s,4z,7r,8s)-2-[(1r)-1-bromopropyl]-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
(2s,3s,8s)-8-[(1r)-1-bromopropyl]-3-chloro-2-[(2z)-pent-2-en-4-yn-1-yl]-3,4,7,8-tetrahydro-2h-oxocine
(2r,4z,7r,8r)-2-[(1r)-1-bromopropyl]-7-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
13,14-dihydroxy-6,7-dimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
2,7-dihydroxy-6-(6-hydroxypurin-9-yl)-tetrahydro-4h-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
(2s,3r,5z,8s,9s)-3-bromo-8-chloro-2-ethyl-9-[(2e)-pent-2-en-4-yn-1-yl]-2,3,4,7,8,9-hexahydrooxonine
(2r,3r,5s,6s,7r)-3,6,7-trihydroxy-2-(4-hydroxy-2-oxopyrimidin-1-yl)-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid
(2s,4z,7s,8s)-2-[(1r)-1-bromopropyl]-7-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]-3,6,7,8-tetrahydro-2h-oxocine
10-deactyltyunnanaxane
{"Ingredient_id": "HBIN000098","Ingredient_name": "10-deactyltyunnanaxane","Alias": "NA","Ingredient_formula": "C16H10O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26024","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,2'-dimethoxy-3,3'-dihydroxy-5,5'-oxygen-6,6'-biphenylformic anhydride
{"Ingredient_id": "HBIN003698","Ingredient_name": "2,2'-dimethoxy-3,3'-dihydroxy-5,5'-oxygen-6,6'-biphenylformic anhydride","Alias": "2,2'-dimethoxy-3,3'-dihydroxy-5,5'-oxygen-6,6'-biphenylformicanhydride","Ingredient_formula": "C16H10O8","Ingredient_Smile": "COC1=C(C=C2C3=C1C(=O)OC(=O)C4=C3C(=CC(=C4OC)O)O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30470;6219","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dimethoxyellagic acid
{"Ingredient_id": "HBIN004060","Ingredient_name": "2,3-dimethoxyellagic acid","Alias": "2,3-dimethoxyellagicacid","Ingredient_formula": "C16H10O8","Ingredient_Smile": "COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4O)O)C(=O)O2)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30469;6223","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4′-O-dimethylellagic acid
{"Ingredient_id": "HBIN007509","Ingredient_name": "3,4\u2032-O-dimethylellagic acid","Alias": "NA","Ingredient_formula": "C16H10O8","Ingredient_Smile": "COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O)C(=O)O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41045","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,4′-di-O-methylellagic acid
{"Ingredient_id": "HBIN009956","Ingredient_name": "4,4\u2032-di-O-methylellagic acid","Alias": "NA","Ingredient_formula": "C16H10O8","Ingredient_Smile": "COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4O)OC)C(=O)O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41094","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
