Exact Mass: 358.0518028
Exact Mass Matches: 358.0518028
Found 294 metabolites which its exact mass value is equals to given mass value 358.0518028,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Etoricoxib
Etoricoxib is a new COX-2 selective inhibitor. Current therapeutic indications are: treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, chronic low back pain, acute pain and gout. Like any other COX-2 selective inhibitor, Etoricoxib selectively inhibits isoform 2 of cyclo-oxigenase enzyme (COX-2). This reduces the generation of prostaglandins (PGs) from arachidonic acid. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 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 C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents
Triflumuron
CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5237; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5229; ORIGINAL_PRECURSOR_SCAN_NO 5227 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5230; ORIGINAL_PRECURSOR_SCAN_NO 5226 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5242; ORIGINAL_PRECURSOR_SCAN_NO 5241 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5203; ORIGINAL_PRECURSOR_SCAN_NO 5199 CONFIDENCE standard compound; INTERNAL_ID 617; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5232; ORIGINAL_PRECURSOR_SCAN_NO 5230 D010575 - Pesticides > D002629 - Chemosterilants D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Pantetheine 4'-phosphate
C11H23N2O7PS (358.09635380000003)
Pantetheine 4-phosphate, or 4-phosphopantetheine, is a metabolite in the pantothenate and coenzyme A biosynthesis pathway. It can be generated from Pantatheine (via pantothenate kinase 1) or R-4-Phospho-pantothenoyl-L-cysteine (via phosphopantothenoylcysteine decarboxylase) or Dephospho-CoA (via 4-phosphopantetheine adenylyl-transferase and ectonucleotide pyrophosphatase). In most mammals, coenzyme A can be hydrolyzed to pantetheine and pantothenate in the intestinal lumen via the following series of reactions: coenzyme A leads to phosphopantetheine leads to pantetheine leads to pantothenate. The conversion of 4-phosphopantetheine (4-PP) to dephospho-CoA, is catalyzed by 4-phosphopantetheine adenylyl-transferase. In mammalian systems, this step may occur in the mitochondria or in the cytosol. (PMID: 1746161) It has been identified as an essential cofactor in in the biosynthesis of fatty acids, polyketides, depsipeptides, peptides, and compounds derived from both carboxylic and amino acid precursors. In particular it is a key prosthetic group of acyl carrier protein (ACP) and peptidyl carrier proteins (PCP) and aryl carrier proteins (ArCP) derived from Coenzyme A. Phosphopantetheine fulfils two demands. Firstly, the intermediates remain covalently linked to the synthases (or synthetases) in an energy-rich thiol ester linkage. Secondly, the flexibility and length of phosphopantetheine chain (approximately 2 nm) allows the covalently tethered intermediates to have access to spatially distinct enzyme active sites. 4-phosphopantetheine is a metabolite in the pantothenate and coenzyme A biosynthesis pathway. It can be generated from Pantatheine (via pantothenate kinase 1) or R-4-Phospho-pantothenoyl-L-cysteine (via phosphopantothenoylcysteine decarboxylase) or Dephospho-CoA (via 4-phosphopantetheine adenylyl-transferase and ectonucleotide pyrophosphatase). In most mammals, coenzyme A can be hydrolyzed to pantetheine and pantothenate in the intestinal lumen via the following series of reactions: coenzyme A leads to phosphopantetheine leads to pantetheine leads to pantothenate. The conversion of 4-phosphopantetheine (4-PP) to dephospho-CoA, is catalyzed by 4-phosphopantetheine adenylyl-transferase. In mammalian systems, this step may occur in the mitochondria or in the cytosol. (PMID: 1746161) It has been identified as an essential cofactor in in the biosynthesis of fatty acids, polyketides, depsipeptides, peptides, and compounds derived from both carboxylic and amino acid precursors. In particular it is a key prosthetic group of acyl carrier protein (ACP) and peptidyl carrier proteins (PCP) and aryl carrier proteins (ArCP) derived from Coenzyme A. Phosphopantetheine fulfils two demands. Firstly, the intermediates remain covalently linked to the synthases (or synthetases) in an energy-rich thiol ester linkage. Secondly, the flexibility and length of phosphopantetheine chain (approximately 2 nm) allows the covalently tethered intermediates to have access to spatially distinct enzyme active sites. [HMDB]
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole
C14H19N2O7P (358.09298340000004)
N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole (or alpha-ribazole-5-Phosphate) is an intermediate in Riboflavin metabolism. In particular, alpha-Ribazole 5-phosphate is converted from Dimethylbenzimidazole via the enzyme nicotinate-nucleotide-dimethylbenzimidazole. phosphoribosyltransferase (EC 2.4.2.21). It is then converted to alpha-Ribazole via the enzyme (EC 3.1.3.-). N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole (or alpha-ribazole-5-Phosphate) is an intermediate in Riboflavin metabolism. In particular, alpha-Ribazole 5-phosphate is converted from Dimethylbenzimidazole via the enzyme nicotinate-nucleotide-dimethylbenzimidazole
SC-1271
C18H15ClN2O4 (358.07203000000004)
versiconal hemiacetal
An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 2-hydroxyethyl group. An intermediate in the biosynthesis of aflatoxin.
1'-hydroxytriazolam
1-hydroxytriazolam is a metabolite of triazolam. Triazolam (marketed in English-speaking countries under the brand names Apo-Triazo, Halcion, Hypam, and Trilam) is a benzodiazepine drug. It possesses pharmacological properties similar to that of other benzodiazepines, but it is generally only used as a sedative to treat severe insomnia. In addition to the hypnotic properties triazolam possesses, amnesic, anxiolytic, sedative, anticonvulsant and muscle relaxant properties are also present. (Wikipedia)
5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone
5,4-Dihydroxy-3,3-dimethoxy-6:7-methylenedioxyflavone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
2-Galloyl-1,4-galactarolactone methyl ester
2-Galloyl-1,4-galactarolactone methyl ester is found in fruits. 2-Galloyl-1,4-galactarolactone methyl ester is a constituent of the fruit of emblic (Phyllanthus emblica). Constituent of the fruit of emblic (Phyllanthus emblica). 2-Galloyl-1,4-galactarolactone methyl ester is found in fruits.
5-Methoxy-galloyl-1,4-galactarolactone
5-Methoxy-galloyl-1,4-galactarolactone is found in fruits. 5-Methoxy-galloyl-1,4-galactarolactone is a constituent of the fruit of emblic (Phyllanthus emblica). Constituent of the fruit of emblic (Phyllanthus emblica). 5-Methoxy-galloyl-1,4-galactarolactone is found in fruits.
Dihydrocaffeic acid 3-O-glucuronide
Dihydrocaffeic acid 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
4-hydroxytriazolam
4-hydroxytriazolam is a metabolite of triazolam. Triazolam (marketed in English-speaking countries under the brand names Apo-Triazo, Halcion, Hypam, and Trilam) is a benzodiazepine drug. It possesses pharmacological properties similar to that of other benzodiazepines, but it is generally only used as a sedative to treat severe insomnia. In addition to the hypnotic properties triazolam possesses, amnesic, anxiolytic, sedative, anticonvulsant and muscle relaxant properties are also present. (Wikipedia)
6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3,5-dihydroxyphenyl)propanoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Homovanillic acid 4-glucuronide
(2E)-2-{6-[(E)-2-Carboxyethenyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoyl Chloride
2-Iodomelatonin
C13H15IN2O2 (358.01782399999996)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
alpha-Hydroxyetizolam
C17H15ClN4OS (358.06550500000003)
Calmagite
C17H14N2O5S (358.06233940000004)
[(3S,3Ar,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-ethylsulfanyl-1,2-dihydropyridine-3-carboxylate
N-Iodo-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
C13H15IN2O2 (358.01782399999996)
Edetate trisodium
Preservative. Ethylenediaminetetraacetic acid, widely abbreviated as EDTA, is a polyamino carboxylic acid and a colourless, water-soluble solid. Its conjugate base is named ethylenediaminetetraacetate. It is widely used to dissolve limescale. Its usefulness arises because of its role as a hexadentate (six-toothed") ligand and chelating agent Preservative
Dichotomitin
5,3-Dihydroxy-4,5-dimethoxy-6,7-methylenedioxyisoflavone is an isoflavonoid. Dichotomitin is a natural product found in Iris potaninii, Iris germanica, and Iris domestica with data available. Dichotomitin is an isoflavonoid isolated from the rhizomes of Belamcanda chinensis (L.) DC[1]. Dichotomitin is an isoflavonoid isolated from the rhizomes of Belamcanda chinensis (L.) DC[1].
Przewalskinic acid A
Przewalskinic acid A is a natural product found in Lomaridium contiguum, Struthiopteris spicant, and other organisms with data available.
Distemonanthin
3,8-Dimethoxy-5,7-dihydroxy-3,4-methylenedioxyflavone
3,7-Dihydroxy-5,6-dimethoxy-3,4-methylenedioxyflavone
5,4-Dihydroxy-3,3-dimethoxy-6,7-methylenedioxyflavone
3,4,8,10-Tetrahydroxy-9-methoxy-isochromeno[4,3-b]chromen-5,7-dion|3,4,8,10-tetrahydroxy-9-methoxy-isochromeno[4,3-b]chromene-5,7-dione|Distemonanthin
3,4-dihydroxy-5,2-dimethoxy-6,7-methylendioxy-isoflavone
6-8-Di-Me ether-1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid
O1-veratroyl-beta-D-glucopyranuronic acid|O1-Veratroyl-beta-D-glucopyranuronsaeure
3,5-Dihydroxy-7,8-dimethoxy-3,4-(methylenebisoxy)flavone
3,6,8-trihydroxy-4-methoxy-1-methylanthraquinone-2-carboxylic acid methyl ester|eleuthraquinone B
2-(1,3-Benzodioxole-5-yl)-3,7-dimethoxy-5,8-dihydroxy-4H-1-benzopyran-4-one
5,7-Dihydroxy-2-(3,4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-8-acetic acid methyl ester
6-Me ether,Me ester-1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid
Triflumuron
D010575 - Pesticides > D002629 - Chemosterilants D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3118
6-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid_major
Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(3-nitrophenyl)-5-oxo-, 2-hydroxyethyl
5,3-dihydroxy-4,5-dimethoxy-6,7-methylenedioxyisoflavone
2-Galloyl-1,4-galactarolactone methyl ester
5-Methoxy-galloyl-1,4-galactarolactone
Dihydrocaffeic acid 3-O-glucuronide
1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid
Disodium phosphate dodecahydrate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-Benzothiazolium
C16H16N5O3S+ (358.09738060000006)
benzene-1,3-dicarboxylic acid,(E)-but-2-enedioic acid,propane-1,2-diol
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-3,4,5-triol
1-(6-Chloro-9H-purin-9-yl)-1-deoxy-2,3-O-isopropylidene-beta-D-ribofuranuronoyl chloride
tert-Butyl 3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
C13H15IN2O2 (358.01782399999996)
Succinyldisalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
C18H15ClN2O4 (358.07203000000004)
2-(2-Iodo-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea
C18H18N2O4S (358.0987228000001)
1-[(4-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-1-methoxyurea
5-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]-1-phenyltetrazole
C16H14N4O4S (358.07357240000005)
4-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1,2,3-thiadiazole
C12H8F6N2O2S (358.02106599999996)
Mifobate
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist Mifobate (SR-202) is a potent and specific PPARγ antagonist. Mifobate (SR-202) selectively inhibits Thiazolidinedione (TZD)-induced PPARγ transcriptional activity (IC50=140 μM). Mifobate (SR-202) does not affect basal or ligand-stimulated transcriptional activity of PPARα, PPARβ, or the farnesoid X receptor (FXR). Mifobate (SR-202) shows antiobesity and antidiabetic effects[1].
6-Nitro-1-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]quino-line
(S)-(-)-3-HYDROXY-3-METHYL-4,4,4-TRICHLOROBUTYRICBETA-LACTONE
C13H15ClN4O4S (358.05025000000006)
N-[(3-(Anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline (hydrochloride)
2,2,4,4,6,6,8-heptamethyl-8-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
1H-PYRROLO[2,3-B]PYRIDINE, 1-[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]-3-IODO-
2-(4-Bromobenzyl)-2,8-diazaspiro[4.5]decan-3-one hydrochloride (1 :1)
C15H20BrClN2O (358.04474400000004)
4-[(E)-2-(4-carboxy-2-nitrophenyl)ethenyl]-3-nitrobenzoic acid
2-(4-BENZYL-1-PIPERAZINO)-4-BROMO-BENZALDEHYDE
C18H19BrN2O (358.06806639999996)
2-(4-BENZYL-1-PIPERAZINO)-5-BROMO-BENZALDEHYDE
C18H19BrN2O (358.06806639999996)
4-(4-benzylpiperazin-1-yl)-2-bromobenzaldehyde
C18H19BrN2O (358.06806639999996)
4-(4-Benzyl-1-piperazino)-3-bromo-benzaldehyde
C18H19BrN2O (358.06806639999996)
TETRAKIS(ACETONITRILE)SILVER(I) TETRAFLUOROBORATE
C8H12AgBF4N4 (358.01420399999995)
[(chloro-phenyl-methyl)-phenoxy-phosphoryl]oxybenzene
C19H16ClO3P (358.05255460000006)
1,2-BENZENEDICARBONITRILE, 4-[(2,2,3,3,4,4,5,5-OCTAFLUOROPENTYL)OXY]
Hydrazine,1,1-(2,2,3,3,5,5,6,6-octafluoro[1,1-biphenyl]-4,4-diyl)bis-
9 10-dimethoxy-2-anthracenesulfonic aci&
C16H15NaO6S (358.04870100000005)
2-[2-(4-methylphenyl)-1,1-dioxo-6-phenylthiopyran-4-ylidene]propanedinitrile
Fezolinetant
Fezolinetant is an antagonist of the neurokinin 3 receptor (NK3R), used for the treatment of menopausal hot flushes.
4-broMo-N-(2-(tert-butyldiMethylsilyl)ethyl)-2-nitroaniline
C14H23BrN2O2Si (358.07120779999997)
3-(4-ETHOXY-PHENYL)-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
4,5-Dimethoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate
2,8-Diazaspiro[4.5]decan-1-one, 2-[(4-bromophenyl)methyl]-, hydrochloride (1:1)
C15H20BrClN2O (358.04474400000004)
[(Methylthio)methyl]-triphenylphosphonium chloride
C20H20ClPS (358.0711800000001)
(2E)-2-{6-[(E)-2-Carboxyethenyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
N-[(4-bromophenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
C18H19BrN2O (358.06806639999996)
2-(3,4-dichlorobenzyl)-6-styryl-4,5-dihydro-3(2H)-pyridazinone
C19H16Cl2N2O (358.06396259999997)
2-(3,4-Dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
C18H9Cl2FN2O (358.00759359999995)
3,4,5-trimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
C18H18N2O4S (358.0987228000001)
Versiconal hydroxyaldehyde form
The tricyclic anthraquinone-hydroxyaldehyde form of versicolorone.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanyloxane-3,4,5-triol
1-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole
(1S,4S,5S)-1,4,5-Trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid
Etoricoxib
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 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 C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents
2-(2-Benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid
6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(3S,3Ar,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-ethylsulfanyl-1,2-dihydropyridine-3-carboxylate
4-Fluorobenzoic acid 4-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C17H11FN2O4S (358.04235380000006)
5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4,5:4,5]thieno[2,3-c]isoquinoline-8(9H)-thione
4-Chlorobenzaldehyde (5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)hydrazone
N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide
C18H18N2O4S (358.0987228000001)
2-(6-Methyl-3-benzofuranyl)acetic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester
C18H15ClN2O4 (358.07203000000004)
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-fluorobenzylidene)acetohydrazide
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester
C18H15ClN2O4 (358.07203000000004)
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1$l^{4},4-benzothiazine-6-carboxamide
C18H18N2O4S (358.0987228000001)
2-(2-Chloro-6-fluoro-phenyl)-3-(2-quinolyl)thiazolidin-4-one
4-(N-Maleimido)phenyltrimethylammonium iodide
C13H15IN2O2 (358.01782399999996)
4-Hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
C17H14N2O5S (358.06233940000004)
N2,N4-Bis(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
C16H12F2N6O2 (358.09897559999996)
methyl 4-[2-cyano-2-(4-methylphenyl)sulonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
C18H18N2O4S (358.0987228000001)
6-[3-(3,4-Dihydroxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(2-Carboxyethyl)-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2,4-Dihydroxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
2,3-Dihydro-2-(3,4-dihydroxyphenyl)-3-carboxy-1,4-benzodioxin-6-acrylic acid
35_Dihydroxy_phenyl_propanoic_acid_3OBD_Glucuronide
1-(4-Chlorophenyl)-4-oxo-5-propoxy-cinnoline-3-carboxylic acid
C18H15ClN2O4 (358.07203000000004)
(2S-3S)-versiconal hemiacetal
An optically active form of versiconal hemiacetal having 2S,3S-configuration.
2-Iodomelatonin
C13H15IN2O2 (358.01782399999996)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
n~3~-[2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide
C11H23N2O7PS (358.09635380000003)
D-Pantetheine 4-phosphate
C11H23N2O7PS (358.09635380000003)
Pantetheine 4-phosphate with D (R) configuration at the 2 position.
Asoxime (dichloride)
Asoxime dichloride (HI-6) is an antagonist to acetylcholine receptors (AChRs) including the nicotinic receptor, α7 nAChR. Asoxime dichloride involves in modulating immunity response. Asoxime dichloride (HI-6) can be used as an antigen and improves vaccination efficacy in the nervous system[1].
(6r,7r)-7-[(5-carboxy-1,5-dihydroxypentylidene)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
6-(acetyloxy)-8-hydroxy-2-methoxy-9-oxoxanthen-3-yl acetate
(3s,4r,5s)-4-hydroxy-5-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-2-oxooxolan-3-yl 3,4,5-trihydroxybenzoate
7,10-dihydroxy-4,5-dimethoxy-8-methyl-2h-anthra[1,2-d][1,3]dioxole-6,11-dione
2-(2-formyl-3,4,5-trihydroxy-6-methylphenyl)-6,7-dihydroxy-5-methyl-1-benzofuran-4-carbaldehyde
1,3,6,8-tetrahydroxy-2-(1-hydroxy-3-oxobutyl)anthracene-9,10-dione
5,13,17-trihydroxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-9,15-dione
4-(2-carboxyethenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid,9ci; (7's,7e,8's)-form
{"Ingredient_id": "HBIN009874","Ingredient_name": "4-(2-carboxyethenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid,9ci; (7's,7e,8's)-form","Alias": "NA","Ingredient_formula": "C18H14O8","Ingredient_Smile": "NA","Ingredient_weight": "358.3","OB_score": "NA","CAS_id": "145554-86-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7968","PubChem_id": "NA","DrugBank_id": "NA"}
5,3'-dihydroxy-4'-methoxy-7-methoxycarbonyl-flavonol
{"Ingredient_id": "HBIN011019","Ingredient_name": "5,3'-dihydroxy-4'-methoxy-7-methoxycarbonyl-flavonol","Alias": "NA","Ingredient_formula": "C18H14O8","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3O)C(=O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5986","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
actaealactone
{"Ingredient_id": "HBIN014625","Ingredient_name": "actaealactone ","Alias": "NA","Ingredient_formula": "C18H14O8","Ingredient_Smile": "C1C(C(=CC2=CC(=C(C=C2)O)O)C(=O)O1)(C(=O)C3=CC(=C(C=C3)O)O)O","Ingredient_weight": "358.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20975","PubChem_id": "11537736","DrugBank_id": "NA"}
(4s,8e)-12,14-dichloro-11,13-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxacyclododecine-2,10-dione
(3e,4r)-4-(3,4-dihydroxybenzoyl)-3-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyoxolan-2-one
1,3,9,12-tetrahydroxy-2-methoxy-5,11-dioxatetraphene-8,10-dione
8-hydroxy-3',6-dimethyl-[2,2'-binaphthalene]-1,4,5',8'-tetrone
4-bromo-n-({2-hydroxy-6a-methoxy-1h,3ah,5h,6h-furo[2,3-d]imidazol-5-yl}methyl)-1h-pyrrole-2-carboxamide
(1s,2r)-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
9-hydroxy-7-(3-hydroxy-4,5-dimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
2-hydroxy-11-(3-hydroxy-2,4-dimethoxyphenyl)-4,6,10-trioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),8,11-tetraene-12-carbaldehyde
n-{[(3as,5s,6as)-2-hydroxy-6a-methoxy-1h,3ah,5h,6h-furo[2,3-d]imidazol-5-yl]methyl}-4-bromo-1h-pyrrole-2-carboxamide
(2s,3r)-4-[(1e)-2-carboxyeth-1-en-1-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
15-formyl-14-hydroxy-6-methoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-4-carboxylic acid
(3e,4s)-4-(3,4-dihydroxybenzoyl)-3-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyoxolan-2-one
4-{2-[(1-carboxy-3-methanesulfinylpropyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
(2s,3s)-4-[(1e)-2-carboxyeth-1-en-1-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
(17r)-5,13,17-trihydroxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-9,15-dione
methyl 3,6,8-trihydroxy-4-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl (2r)-2-hydroxypropanoate
(2r,3r)-4-[(1e)-2-carboxyeth-1-en-1-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
(2s,3r)-4-[(1z)-2-carboxyeth-1-en-1-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
n-{[(3as,5r,6as)-2-hydroxy-6a-methoxy-1h,3ah,5h,6h-furo[2,3-d]imidazol-5-yl]methyl}-4-bromo-1h-pyrrole-2-carboxamide
n-{[(3ar,5s,6as)-2-hydroxy-3a-methoxy-3h,5h,6h,6ah-furo[2,3-d]imidazol-5-yl]methyl}-4-bromo-1h-pyrrole-2-carboxamide
7-hydroxy-11-(hydroxymethyl)-16-methyl-12,13,14-trithia-9,16-diazatetracyclo[9.3.2.0¹,⁹.0³,⁸]hexadeca-3,5-diene-10,15-dione
C13H14N2O4S3 (358.01156840000004)
3,5-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl acetate
1,3,6,8-tetrahydroxy-2-[(1s)-1-hydroxy-3-oxobutyl]anthracene-9,10-dione
7-(3,4-dihydroxy-2-methoxyphenyl)-9-methoxy-2h-[1,3]dioxolo[4,5-g]chromen-8-one
2-(2h-1,3-benzodioxol-5-yl)-3,5-dihydroxy-7,8-dimethoxychromen-4-one
4-(3,4-dihydroxybenzoyl)-3-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyoxolan-2-one
2,3-dihydroxy-n-{2-[(4-nitrophenyl)methyl]-4-oxooxetan-3-yl}benzenecarboximidic acid
5,7,11,14,17,19-hexaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaene-1,24-diol
15-formyl-5,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-6-carboxylic acid
(2r)-2-hydroxy-4-[(hydroxyphosphonoyl)peroxy]-3,3-dimethyl-n-{2-[(2-sulfanylethyl)-c-hydroxycarbonimidoyl]ethyl}butanimidic acid
C11H23N2O7PS (358.09635380000003)
2-(2h-1,3-benzodioxol-5-yl)-5,7-dihydroxy-3,8-dimethoxychromen-4-one
2-(3,4-dihydroxyphenyl)-4-[(3,4-dihydroxyphenyl)methylidene]-5-oxooxolane-3-carboxylic acid
2,3-dihydroxy-n-[(2r,3s)-2-[(4-nitrophenyl)methyl]-4-oxooxetan-3-yl]benzenecarboximidic acid
2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
12,14-dichloro-11,13-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxacyclododecine-2,10-dione
(4e)-2-(3,4-dihydroxyphenyl)-4-[(3,4-dihydroxyphenyl)methylidene]-5-oxooxolane-3-carboxylic acid
methyl (2s)-2-[(2r,3r,4r)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-(3,4,5-trihydroxybenzoyloxy)acetate
15-formyl-6,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylic acid
(1r,7s,8s,11r)-7-hydroxy-11-(hydroxymethyl)-16-methyl-12,13,14-trithia-9,16-diazatetracyclo[9.3.2.0¹,⁹.0³,⁸]hexadeca-3,5-diene-10,15-dione
C13H14N2O4S3 (358.01156840000004)