Exact Mass: 398.0725
Exact Mass Matches: 398.0725
Found 334 metabolites which its exact mass value is equals to given mass value 398.0725
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulfasalazine
Sulfasalazine is only found in individuals that have used or taken this drug. It is a drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see mesalamine) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907)The mode of action of Sulfasalazine or its metabolites, 5-aminosalicylic acid (5-ASA) and sulfapyridine (SP), is still under investigation, but may be related to the anti-inflammatory and/or immunomodulatory properties that have been observed in animal and in vitro models, to its affinity for connective tissue, and/or to the relatively high concentration it reaches in serous fluids, the liver and intestinal walls, as demonstrated in autoradiographic studies in animals. In ulcerative colitis, clinical studies utilizing rectal administration of Sulfasalazine, SP and 5-ASA have indicated that the major therapeutic action may reside in the 5-ASA moiety. The relative contribution of the parent drug and the major metabolites in rheumatoid arthritis is unknown. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D005765 - Gastrointestinal Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents
S-adenosyl-4-methylthio-2-oxobutanoate
S-adenosyl-4-methylthio-2-oxobutanoic acid is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosyl-4-methylthio-2-oxobutanoic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). S-adenosyl-4-methylthio-2-oxobutanoic acid can be found in a number of food items such as hard wheat, chinese cabbage, cauliflower, and kai-lan, which makes S-adenosyl-4-methylthio-2-oxobutanoic acid a potential biomarker for the consumption of these food products. S-adenosyl-4-methylthio-2-oxobutanoic acid exists in E.coli (prokaryote) and yeast (eukaryote).
4-Dedimethyl-6-dehydro-anhydrotetracycline
Acroptilin
A sesquiterpene lactone that is isolated from Acroptilon repens and displays anti-allergic properties.
Taraxacoside
Constituent of Taraxacum officinale (dandelion). Taraxacoside is found in many foods, some of which are coffee and coffee products, alcoholic beverages, tea, and dandelion. Taraxacoside is found in alcoholic beverages. Taraxacoside is a constituent of Taraxacum officinale (dandelion)
Picraquassioside A
Picraquassioside A is found in herbs and spices. Picraquassioside A is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Picraquassioside A is found in herbs and spices.
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide is a cocoa metabolite from gut microflora. It is found in urine.
Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
Methyl acrylate-dvb(2\\%), copolymer, aminolyzed with dmapa is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Zearalenone 4-sulfate
Zearalenone 4-sulfate is produced by Fusarium graminearum grown on rice. Estrogenic mycotoxin.
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-3'-O-methyl-4'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl belongs to the family of Mixed Pentose/Hexose Disaccharides. These are disaccharides containing both an hexose and a pentose.
7-Deoxydoxorubicinone
Diflomotecan
Omarigliptin
Estra-1,3,5(10)-triene-3,17-diol, 16-iodo-, (16alpha,17beta)-
5-Sinapoylquinic acid
5-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 5-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 5-sinapoylquinic acid can be found in a number of food items such as apple, european plum, sour cherry, and pear, which makes 5-sinapoylquinic acid a potential biomarker for the consumption of these food products.
4-Sinapoylquinic acid
4-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-sinapoylquinic acid can be found in a number of food items such as apricot, peach (variety), sweet cherry, and pear, which makes 4-sinapoylquinic acid a potential biomarker for the consumption of these food products.
3-Sinapoylquinic acid
3-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-sinapoylquinic acid can be found in a number of food items such as sour cherry, sweet cherry, european plum, and peach (variety), which makes 3-sinapoylquinic acid a potential biomarker for the consumption of these food products. .
Triacetylnaringenin
Naringenin triacetate is a flavonoid isolated from plant, exhibits a good binding affinity with multiple crystal structures of first bromodomain BRD4 (BRD4 BD1)[1].
Cnidioside B
NCGC00384499-01_C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy- is a natural product found in Picrasma quassioides, Ruta graveolens, and Ammi majus with data available.
3,5,6-Trimethoxy-3,4-methylene-dioxyfurano[2,3:7,8]flavanone
Propoxycarbazone
CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3997 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4006; ORIGINAL_PRECURSOR_SCAN_NO 4004 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3967; ORIGINAL_PRECURSOR_SCAN_NO 3962 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3991; ORIGINAL_PRECURSOR_SCAN_NO 3989 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3990; ORIGINAL_PRECURSOR_SCAN_NO 3989 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3993; ORIGINAL_PRECURSOR_SCAN_NO 3991 ORIGINAL_PRECURSOR_SCAN_NO 8067; CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8069 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8069; ORIGINAL_PRECURSOR_SCAN_NO 8067 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8106; ORIGINAL_PRECURSOR_SCAN_NO 8102 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8106; ORIGINAL_PRECURSOR_SCAN_NO 8104 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8149; ORIGINAL_PRECURSOR_SCAN_NO 8144 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8151; ORIGINAL_PRECURSOR_SCAN_NO 8149 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8164; ORIGINAL_PRECURSOR_SCAN_NO 8162 CONFIDENCE standard compound; INTERNAL_ID 2528 CONFIDENCE standard compound; INTERNAL_ID 8387 CONFIDENCE standard compound; INTERNAL_ID 4014
sulfasalazine
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D005765 - Gastrointestinal Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4230; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4221; ORIGINAL_PRECURSOR_SCAN_NO 4220 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4144; ORIGINAL_PRECURSOR_SCAN_NO 4143 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4237; ORIGINAL_PRECURSOR_SCAN_NO 4236 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4245; ORIGINAL_PRECURSOR_SCAN_NO 4244 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8819; ORIGINAL_PRECURSOR_SCAN_NO 8816 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8829; ORIGINAL_PRECURSOR_SCAN_NO 8824 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8833; ORIGINAL_PRECURSOR_SCAN_NO 8830 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8842; ORIGINAL_PRECURSOR_SCAN_NO 8838 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8867; ORIGINAL_PRECURSOR_SCAN_NO 8863 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8846; ORIGINAL_PRECURSOR_SCAN_NO 8844
5,7-diacetoxy-8,4-dimethoxyflavone|Cirsitakaogenin-acetat|galangustin diacetate|galangustin-diacetate
6-carboxyethyl-7-methoxy-5-hydroxybenzofuran 5-O-beta-D-glucopyranoside|Picraquassioside A
5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenyl-trans-acryloyl)-1-benzopyran-2-one|interruptin B
(1R,2S,3S,4R,5S,7R)-2,4-dihydroxy-7-hydroxymethyl-3-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy]-6,8-dioxabicyclo[3.2.1]octan-5-carboxylic acid|4-O-caffeoyl-2,7-anhydro-D-glycero-beta-D-galacto-oct-2-ulopyranosic acid
6-Acetoxy-5,7-dimethoxy-11,12-methylendioxycoumeston
n-(2-[6-bromo-2-(1,1-dimethyl-2-propenyl)-1h-indol-3-yl]ethyl)-n-methylmethanesulfonamide
6,8-dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)
3R-(+)-5-O-[6-O-acetyl]-alpha-D-glucopyranosyl-5-hydroxymellein
canthin-6-one 9-O-beta-glucopyranoside|Canthin-6-one 9-O-??-glucopyranoside
4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-methoxy-2-(4-methoxyphenyl)-
18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene
(+-)-3,4,7-Tri-O-acetylbutin|(+-)-3,4,7-Tri-O-acetyl-2,3-trans-butin|(+-)-Butintriacetat|3,4,7-Triacetoxyflavon|7-Acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-on|7-acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-one|Triacetyl-(+-)-butin
2-O-Acetyl-4-O-(beta-D-galaktopyranosyluronsaeure)-D-galaktose
4,5-di-O-acetyl-7-O-methyltectorigenin|4.5-Diacetoxy-6.7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxyisoflavon|5-acetoxy-3-(4-acetoxy-phenyl)-6,7-dimethoxy-chromen-4-one|5.4-Diacetoxy-6.7-dimethoxy-isoflavon
mollicellin N
A member of the class of depsidones that is 3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity.
C18H22O10_5-Benzofuranpropanoic acid, 4-(beta-D-glucopyranosyloxy)-6-methoxy
C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy
BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE
BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE_major
Ala Cys Cys Cys
Cys Ala Cys Cys
Cys Cys Ala Cys
Cys Cys Cys Ala
Cys Cys Ser Ser
Cys Ser Cys Ser
Cys Ser Ser Cys
Ser Cys Cys Ser
Ser Cys Ser Cys
Ser Ser Cys Cys
BROMO-3-HYDROXY-4- (SUCCIN-2-YL)-CARYOLANE γ-LACTONE
5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide
Taraxacoside
Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
Zearalenone 4-sulfate
Picraquassioside A
Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate
Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate
methyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide
Pyrimido[4,5-g]quinazoline-4,9-dione,2,7-bis(chloromethyl)-3,8-dihydro-5,10-dimethoxy-3,8-dimethyl-
[2,2,3,3,4,4,5,5-octafluoro-6-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate
(E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate (1:1)
2-(4-BOC-PIPERAZINYL)-2-(3-BROMO-PHENYL)ACETIC ACID
clefamide
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AC - Dichloroacetamide derivatives C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
N1,N1-Bis(4-aminophenyl)benzene-1,4-diamine trihydrochloride
METHYL 6-(TRIFLUOROMETHYL)-1-TOSYL-1H-PYRROLO-[2,3-B]PYRIDINE-3-CARBOXYLATE
Omarigliptin
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
2-(4-Boc-piperazinyl)-α-(4-bromo-phenyl)acetic acid
2-(4-Boc-piperazinyl)-α-(2-bromo-phenyl)acetic acid
1,3-Bis(3-aminophenoxy)-5-chlorobenzene Dihydrochloride
2,3,4,6-tetra-o-acetyl-1-azido-1-deoxy-alpha-d-galactopyranosyl cyanide
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-
1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine,hydrochloride
2-ethoxy-5-[(3-methyl-4-nitrobenzoyl)amino]benzenesulfonyl chloride
DIFLOMOTECAN
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor
Benzo1,2-b:4,5-bdifuran-2,6-dione, 3-phenyl-7-(4-propoxyphenyl)-
Aspirin calcium
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors D058633 - Antipyretics
Chloro(crotyl)(tri-tert-butylphosphine)palladium(II)
Tris(ethylenediamine)cobalt(III) chloride trihydrate
tert-butyl 4-(3-bromo-5-methoxycarbonylphenyl)piperazine-1-carboxylate
3-(PERFLUORO-3-METHYLBUTYL)-2-HYDROXYPROPYL ACRYLATE
(S)-1-(1-(4-Chloro-2-methoxyphenyl)-5-fluoro-1,9-dihydrospiro[cyclopropane-1,4-pyrido[3,4-b]indol]-2(3H)-yl)ethan-1-one
(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-1-benzopyran-2-carboxamide
4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide
7-(2,5-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-YL)benzenesulfonamide
5-(4-Cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
(5z)-5-[(5-Ethyl-2-Furyl)methylene]-2-{[(S)-(4-Fluorophenyl)(1h-Tetrazol-5-Yl)methyl]amino}-1,3-Thiazol-4(5h)-One
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide is a cocoa metabolite from gut microflora. It is found in urine.
2-[8-(Bromomethyl)-4,4-dimethyl-13-oxo-14-oxatetracyclo[6.6.1.01,11.02,5]pentadecan-12-yl]acetic acid
Bacillithiol
A thiol that is the alpha-anomeric glycoside of L-cysteinyl-D-glucosamine with L-malic acid.
(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
methyl 2-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-1,3-benzothiazole-6-carboxylate
(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetate
[3-[2-(2-Acetylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]phosphonic acid
(2R)-2-[(3S)-3-[[(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetate
3-O-sinapoylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 3-hydroxy group of (-)-quinic acid.
16-Iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
6-Hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-11-oxo-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaene-3-carboxylic acid
4-Fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide
(6Z)-6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
2-[[4-Phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole
2-(4-methoxyphenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
2-(1,3-Benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1,3,4-oxadiazole
7-(2,3-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]amino]benzenesulfonamide
1-[2-(2,3-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
1-[2-(2,6-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)
A natural product found in Conoideocrella tenuis.
(2R,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
methyl 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoate
(2S,3R,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3S,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
[2-Methoxy-4-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulate
6-[2-(Acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(3,4-Dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-phenylchromen-4-one
4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion
A zwtterion obtained by transfer of a proton from the 2-hydroxy to the primary amino group of 4-amino-4-de(dimethylamino)anhydrotetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide
4-methoxy-N-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide
4-O-sinapoylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 4-hydroxy group of (-)-quinic acid.
5-O-sinapoylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 5-hydroxy group of (-)-quinic acid.
4-amino-4-de(dimethylamino)anhydrotetracycline
A member of the class of tetracyclines that is anhydrotetracycline in which the two methyl groups attached to the nitrogen have both been replaced by hydrogen.
S-Adenosyl-4-methylthio-2-oxobutanoic acid
A sulfonium compound comprising 4-methylthio-2-oxobutanoic acid having an adenosin-5-yl group attached to the sulfur.