Exact Mass: 280.0711
Exact Mass Matches: 280.0711
Found 500 metabolites which its exact mass value is equals to given mass value 280.0711,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Methyl nigakinone
Methyl nigakinone is a member of beta-carbolines. 4,5-Dimethoxycanthin-6-one is a natural product found in Alangium chinense, Picrasma quassioides, and Eurycoma longifolia with data available. 4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2]. 4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].
Sulfametopyrazine
Sulfametopyrazine is only found in individuals that have used or taken this drug. It is a long-acting plasma-bound sulfonamide used for respiratory and urinary tract infections and also for malaria. [PubChem]Sulfametopyrazine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. Para-aminobenzoic acid (PABA), a substrate of the enzyme is prevented from binding. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides Same as: D01216
sulfamonomethoxine
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Aspartylphenylalanine
Aspartylphenylalanine is a dipeptide composed of aspartate and phenylalanine, and is a metabolic byproduct of its methyl ester, aspartame (Nutrasweet). After hydrolysis of the ester bond in the intestinal lumen, the dipeptide is apparently absorbed and digested in the same manner as dipeptides derived from protein digestion. There are several Asp-Phe dipeptidases that degrade this peptide. It has been suggested that individuals with aspartame allergies may be deficient in this peptidase (PMID: 3743970). It has been observed that N-beta-aspartylphenylalanine (a breakdown product of Asp-Phe) is a naturally occurring peptide found in both blood and urine (PMID: 2723819).
Degradation product of Aspartame
Ipriflavone
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization Feed additive, catabolic agent. Feed additive, catabolic agent
Methoxybrassenin A
Methoxybrassenin A is found in brassicas. Methoxybrassenin A is a stress metabolite isolated from cabbage (Brassica oleracea var. capitata) inoculated with Pseudomonas cichorii. Stress metabolite isolated from cabbage (Brassica oleracea variety capitata) inoculated with Pseudomonas cichorii. Methoxybrassenin A is found in brassicas.
Gravolenic acid
Gravolenic acid is found in herbs and spices. Gravolenic acid is isolated from above-ground parts of Ruta graveolens (rue). Isolated from above-ground parts of Ruta graveolens (rue). Gravolenic acid is found in herbs and spices.
Asparenyol
Asparenyol is found in green vegetables. Asparenyol is a constituent of cultured cells of asparagus (Asparagus officinalis). Constituent of cultured cells of asparagus (Asparagus officinalis). Asparenyol is found in green vegetables.
gamma-Glutamyl-S-methylcysteine sulfoxide
gamma-Glutamyl-S-methylcysteine sulfoxide is found in onion-family vegetables. gamma-Glutamyl-S-methylcysteine sulfoxide is present in garlic (Allium sativum Present in garlic (Allium sativum). gamma-Glutamyl-S-methylcysteine sulfoxide is found in garlic, soft-necked garlic, and onion-family vegetables.
Sinalbin A
Isolated from Sinapis alba (white mustard). Sinalbin A is found in brassicas, herbs and spices, and white mustard. Sinalbin A is found in brassicas. Sinalbin A is isolated from Sinapis alba (white mustard).
Phenylalanylaspartic acid
Phenylalanylaspartic acid is a dipeptide composed of phenylalanine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Methionyl-Methionine
Methionyl-Methionine is a dipeptied compoosed of two methionine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
1-Methoxyspirobrassinin
Phytoalexin from Brassica oleracea variety gongylodes (kohlrabi). 1-Methoxyspirobrassinin is found in cauliflower, brassicas, and radish. 1-Methoxyspirobrassinin is found in brassicas. Phytoalexin from Brassica oleracea var. gongylodes (kohlrabi
L-beta-aspartyl-L-phenylalanine
L-beta-aspartyl-l-phenylalanine is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Levosimendan
Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It increases the sensitivity of the heart to calcium, thus increasing cardiac contractility without a rise in intracellular calcium. Levosimendan exerts its effect by increasing calcium sensitivity of myocytes by binding to cardiac troponin C in a calcium-dependent manner. It also has a vasodilatory effect, by opening adenosine triphosphate (ATP)-sensitive potassium channels in vascular smooth muscle to cause smooth muscle relaxation. D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
Phenprocoumon
Phenprocoumon is only found in individuals that have used or taken this drug. It is a coumarin derivative that acts as a long acting oral anticoagulant. [PubChem]Phenprocoumon inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decreased prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots.
3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one
3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one is found in fruits. 3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one is a constituent of the roots of Mangifera indica (mango)
N-Despyridinyl rosiglitazone
N-Despyridinyl rosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)
4-(2-Aminopyrimidin-4-yl)-6-(2-aminopyrimidin-4(3H)-ylidene)cyclohexa-2,4-dien-1-one
Benzofuran isophthalate
Flumecinol
C26170 - Protective Agent > C2081 - Hepatoprotective Agent
N-(gamma-Maleimidobutyryloxy)succinimide
Mitoflaxone
C26170 - Protective Agent > C275 - Antioxidant > C306 - Bioflavonoid D000970 - Antineoplastic Agents D007155 - Immunologic Factors
Simendan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
Sulfameter
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Sulfamethoxypyridazine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Supidimide
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
D-Malic acid p-coumarate
D-malic acid p-coumarate is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. D-malic acid p-coumarate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). D-malic acid p-coumarate can be found in lentils, which makes D-malic acid p-coumarate a potential biomarker for the consumption of this food product.
Nortanshinone
Nortanshinone is a natural product found in Salvia miltiorrhiza, Salvia przewalskii, and Salvia yunnanensis with data available.
12-Bromo-4(13),6,9-lauratriene
D-Malic acid p-coumarate
D-malic acid p-coumarate is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. D-malic acid p-coumarate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). D-malic acid p-coumarate can be found in lentils, which makes D-malic acid p-coumarate a potential biomarker for the consumption of this food product.
4,5-Dimethoxycanthin-6-one
4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2]. 4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].
sulfamethoxypyridazine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1015
Ethyl phthalyl ethyl glycolate
CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8547; ORIGINAL_PRECURSOR_SCAN_NO 8543 ORIGINAL_ACQUISITION_NO 8582; CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8582; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8594; ORIGINAL_PRECURSOR_SCAN_NO 8590 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8629; ORIGINAL_PRECURSOR_SCAN_NO 8624 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8644; ORIGINAL_PRECURSOR_SCAN_NO 8639
N-{[(3-Chloroanilino)carbonyl]oxy}isoxazole-5-carboximidamide
sulfameter
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1025
6-O-malonyl-beta-methyl-D-glucopyranoside|6-O-malonyl-??-methyl-D-glucopyranoside|methyl 6-O-(2-carboxyacetyl)-beta-D-glucopyranoside
Methylenedihydrotanshinquinone
6-acetoxy-8,9-dehydro-6-carbomethoxy-10-hydroxy-thymol
(3R*,4R*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-3-(2-oxopropyl)naphthalen-1(2H)-one|balticol D
2-Hydroxy-8-carboxy-1-methyl-5-ethenyl-9,10-dihydrophenanthrene|8-carboxy-2-hydroxy-1-methyl-5-vinyl-9,10-dihydrophenanthrene|9,10-Dihydro-7-hydroxy-8-methyl-4-vinyl-1-phenanthrenecarboxylic acid
7-(phenyl-methylcarbonyl)oxy-2H-1-benzopyran-2-one|7-phenylacetoxycoumarin
2-(2-methoxy-4-hydroxyphenyl)-5-(E)-propenylbenzofuran|Ratanhiaphenol III
(5Z)-5-(4-hydroxybenzylidene)-4-(4-hydroxyphenyl)furan-2(5H)-one|4-(4-hydroxyphenyl)-5-[(Z)-(4-hydroxyphenyl)methylidene]furan-2-one|Rubrolide E
(E)-2,3-dihydroxycyclopentyl-3-(3,4-dihydroxyphenyl)acrylate|1-(3,4-dihydroxycinnamoyl)cyclopentane-2,3-diol
2,7-dimethoxy-5H-phenanthro[4,5-bcd]pyran-5-one|uniflorinanthrone
4-(9h-beta-carbolin-1-yl)-4-oxobut-2-enoic acid methyl ester
(4bR,10bR)-4b-hydroxy-10b,12-dihydrodibenzo[c,h][2,6]naphthyridine-5,11(4bH,6H)-dione
(6S,8S)-5,6,7,8-tetrahydro-1,3,6-trihydroxy-6-acetyl-8-methylnaphthalene-4-carboxylic acid|ficuselastic acid
2-{[3-(4-Hydroxyphenyl)acryloyl]oxy}butanedioic acid
2-(1,3-benzodioxol-5-yl)ethyl 5-hydroxy-4-oxo-pentanoate
6-(1-bromo-2-methyl-propyl)-1,4-dimethyl-5,6-dihydro-4H-indene
6-methoxy-2-(methylthio)spiro[3H-indole-3,5(4H)thiazol]-2(1H)-one|capparine A
(4-hydroxyphenyl)-[5-(4-hydroxyphenyl)-1H-imidazol-2-yl]methanone
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)hexan-1-imine
Zhebeiresinol
Zhepeiresinol is a natural product found in Magnolia kachirachirai, Ilex pubescens, and Callicarpa pilosissima with data available.
Levosimendan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
Asp-phe
A dipeptide formed from L-alpha-aspartyl and L-phenylalanine residues. It is obtained after the hydrolysis of aspartame in intestinal lumen.
Levosimedan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
Met-met
A dipeptide formed from two L-methionine residues.
Phe-asp
A dipeptide formed from L-phenylalanine and L-aspartic acid residues.
g-Glutamyl-S-methylcysteine sulfoxide
Gravolenic acid
1-Methoxyspirobrassinin
(E)-5-(hexa-3,5-dien-1-yn-1-yl)-5-(prop-1-yn-1-yl)-2,2-bithiophene
5-O-Methanesulfonate-2,3-O-isopropylidene-2-C-methyl-D-ribonic-γ-lactone
3-(2-AMINOETHYLSULFANYL)-1-(4-METHOXY-PHENYL)PYRROLIDINE-2,5-DIONE
(2S,4S)-6-FLUORO-2,5-DIOXOSPIRO[CHROMAN-4,4-IMIDAZOLIDINE]-2-CARBOXYLIC ACID
N,N,N,N-Tetramethylchloroformamidinium hexafluorophosphate
tert-Butyl 6-(aminomethyl)thieno[2,3-d]pyrimidin-4-ylcarbamate
3-AMINO-2,7-DIMETHYL-5,6,7,8-TETRAHYDRO-[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
3-BENZYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID
6-BROMO-1,1,4,4,7-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
(S)-3-(4’-Methoxy-3’-sulfonamidophenyl)-2-propylamine Hydrochloride
4-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-fluorobenzon itrile
3-METHYL-5-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
1-(4-FLUORO-BENZENESULFONYL)-PIPERAZINE HYDROCHLORIDE
5[(R)-(2-Aminopropyl)]-2-methoxybenzenesulfonamide Hydrochloride
5-(Trifluoromethoxy)-1H-indole-3-ethanamine hydrochloride
2-(6-(Trifluoromethoxy)-1H-indol-3-yl)ethanamine hydrochloride
(3-((2-CHLORO-4-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID
2,2-DITHIO-BIS[N,N-DIMETHYL]ETHANEAMINE DIHYDROCHLORIDE
4-(2-METHYL-4-OXO-4 H-QUINAZOLIN-3-YL)-BENZOIC ACID
2-Hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid sodium salt
2-(2,2,3,3,4,4,4-heptafluorobutanoyl)cyclopentan-1-one
3-(3,5-Dimethyl-1H-pyrazol-4-ylmethyl)-4-methoxy-benzaldehyde hydrochloride
2-trimethylsiloxy-1,1,1,5,5,5-hexafluoropent-2-ene-4-one
2-(2,4-DIMETHOXYPHENYLAMINO)THIAZOLE-4-CARBOXYLICACID
4-(2,6-Dimethylmorpholin-4-yl)-3-nitrobenzoic acid
N-[(2,4-DIPHENYL-1,3-THIAZOL-5-YL)METHYL]-N-METHYLAMINE
7H-spiro[furo[3,4-b]pyridine-5,4-piperidin]-7-onedihydrochloride
2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
3-((2-NITRO-4-(TRIFLUOROMETHYL)PHENYL)AMINO)PROPANE-1,2-DIOL
2-(3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-YL)ACETIC ACID
METHYL 4-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLATE
3-CHLORO-2-(PIPERIDIN-4-YLOXY)-5-(TRIFLUOROMETHYL)PYRIDINE
4-Chloro-7-fluoro-6-(2-methoxyethoxy)-3-quinolinecarbonitrile
1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
METHYL 4-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLATE
N-[2-Oxo-2-(2-thioxo-3-thiazolidinyl)ethyl]benzamide
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
e-1,1,1,5,5,5-hexafluoro-4-(trimethylsiloxy)-3-pentene-2-one
1H-PYRROLO[2,3-B]PYRIDINE, 1-(METHYLSULFONYL)-4-(1-PIPERAZINYL)-
4-OXO-3-PHENYL-3,4-DIHYDROPHTHALAZINE-1-CARBOHYDRAZIDE
2-BROMO-3,3,6,8-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE
4-oxo-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carbonitrile
1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid
(2r,3r)-2,3-o-(1-phenylethylidene)-l-tartaric acid dimethyl ester
5-[3-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
N1-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N1-(4-METHYLPHENYL)ACETAMIDE
6-(BROMOMETHYL)-1,1,4,4-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
6-(CHLOROMETHYL)-2-[(4-METHOXYPHENOXY)METHYL]PYRIMIDIN-4-OL
2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
6(5H)-Pteridinone, 2-chloro-8-cyclopentyl-7-ethyl-7,8-dihydro
(S)-(6-(((tetrahydrofuran-3-yl)oxy)methyl)pyridin-2-yl)methanamine dihydrochloride
3-Fluoro-N-(S)-pyrrolidin-3-yl-benzenesulfonaMide hydrochloride
Pyridin-4-yl-glycine tert-butyl ester dihydrochloride
[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]boronic acid
(2-((3-CHLOROBENZYL)OXY)-5-FLUOROPHENYL)BORONIC ACID
(4-((2-CHLORO-4-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID
(2-((4-CHLOROBENZYL)OXY)-5-FLUOROPHENYL)BORONIC ACID
2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-4-CHLORO-1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-7-OL
N-(6-Ethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-3-oxobutanamide
(4,5-DIMETHYL-3-PHENYL-3H-THIAZOL-2-YLIDENE)-PHENYL-AMINE
4-hydroxy-5-(4-methoxyphenoxy)-2-methylsulfanyl-1H-pyrimidin-6-one
(3-(Morpholine-4-carbonyl)-5-nitrophenyl)boronic acid
(2-CHLORO-4-MORPHOLINOPYRIDO[2,3-D]PYRIMIDIN-7-YL)METHANOL
3-(FLUOROMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE HYDROCHLORIDE
Ethyl 8-chloro-3,4,4a,5-tetrahydro-1H-pyrido[4,3-b]indole-2(9bH)-carboxylate
N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,2-dimethylpropanamide
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyl]benzoic acid
Magnesium pidolate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12C - Other mineral supplements > A12CC - Magnesium
Imiloxan hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
5-[4-(2-Methylaminoethoxy)-benzyl]-thiazolidine-2,4-dione
2-Phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
alpha-((5-Nitro-2-furanyl)methylene)-1H-benzimidazole-2-acetonitrile
N-[2-(6-Chloro-5-methoxy-2-methyl-1H-indol-3-YL)ethyl]acetamide
2-oxo-N-(2-pyridinylmethyl)-1-benzopyran-3-carboxamide
3-(2-Pyridinyl)-6-(2-pyridinylmethylthio)pyridazine
1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide
Sulfamethopyrazine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides Same as: D01216
2-[(2-Amino-3-phenylpropanoyl)amino]butanedioic acid
(2R)-2-amino-3-[(E)-N-hydroxy-C-(5-methylsulfanylpentyl)carbonimidoyl]sulfanylpropanoic acid
(2S,3R,4S)-2-amino-3,5-dihydroxy-4-(hydroxymethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-7-carboxylic acid
(2S,3R,4R)-2-amino-3,5-dihydroxy-4-(hydroxymethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-7-carboxylic acid
3-Benzyl-5-tert-butyl-1,3,5-thiadiazinane-2-thione
N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamide
2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]benzamide
4-{(E)-[2-(1H-benzimidazol-2-yl)hydrazinylidene]methyl}benzoic acid
(1S,3S,11R,11aR)-3-amino-1,7,8,11-tetrahydroxy-1,2,3,6,11,11a-hexahydro-4H-pyrido[1,2-b]isoquinolin-4-one
N-(5-chloro-2-methoxyphenyl)-2,4-dimethyl-5-oxazolecarboxamide
N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide
2-{2-[5-(2-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]vinyl}phenol
2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide
3,7-Dimethyl-2-(methylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
(3Z)-3-{[(6-methylpyridin-2-yl)amino]methylidene}-2H-chromene-2,4(3H)-dione
3-[(2-pyridinylmethylamino)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
3-(4,7-Dimethyl-1-quinolin-1-iumyl)-1-propanesulfonic acid
3-(2,7-Dimethyl-1-quinolin-1-iumyl)-1-propanesulfonic acid
(Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide
6-(1-Carboxypropan-2-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(5Z)-3-butyl-5-(1-methylpyridin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
6-(2-Carboxyacetyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(2-Carboxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
2-(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)propanedioic acid
1-Methyl 3-(3,4,5,6-tetrahydroxyoxan-2-yl)methyl propanedioate
(5Z)-5-(dimethylaminomethylidene)-3-(4-methylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
6-(2-Carboxypropan-2-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(1-Carboxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl octanoate
2,8-Diacetoxy-2-methyl-5H-cyclohepta-1,3-dioxol-5-one
3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one
2-(p-coumaroyl)malic acid
A carboxylic ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the hydroxy group of malic acid.
fumisoquin A
A pyridoisoquinoline that is (11aR)-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline substituted by hydoxy groups at positions 1S,7,8 and 11R, by an amino group at position 3S and an oxo group at position 4. It is produced by a biosynthetic gene cluster called fsq in the human pathogen Aspergillus fumigatus.
1-(4-(chloromethyl)phenyl)sulfonyl-4-methylbenzene
(3s)-4-[(1r,2r)-1,5-dihydroxy-4-oxo-2,3-dihydro-1h-naphthalen-2-yl]-3-hydroxybutanoic acid
(3as,4s,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
methyl 3-(7-hydroxy-8-methoxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoate
(4s,6s)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
1-[(1s,3r)-3-bromo-1,2,2-trimethylcyclopentyl]-4-methylbenzene
4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one
3,11-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
(2s)-2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-3-methylbutanoic acid
6-chloro-5-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2,2,7-trimethyl-3h-inden-1-one
3-(2,3-dihydroxypropyl)-6,8-dimethoxychromen-2-one
[(3r,4r)-4,8-dihydroxy-3,4-dimethyl-1-oxo-3h-2-benzopyran-7-yl]methyl acetate
(3s,5s)-5-[(2s,3s,4r)-2-chloro-1,3,4-trihydroxyheptyl]-3-methyloxolan-2-one
3-amino-1,7,8,11-tetrahydroxy-1h,2h,3h,6h,11h,11ah-pyrido[1,2-b]isoquinolin-4-one
2,6-di(phenyl)thiopyran-4-thione
{"Ingredient_id": "HBIN004942","Ingredient_name": "2,6-di(phenyl)thiopyran-4-thione","Alias": "2,6-di(phenyl)-4-thiopyranthione","Ingredient_formula": "C17H12S2","Ingredient_Smile": "NA","Ingredient_weight": "280.41","OB_score": "69.13373172","CAS_id": "1029-97-6","SymMap_id": "SMIT09571","TCMID_id": "NA","TCMSP_id": "MOL008259","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-3-methylbutanoic acid,9ci; (r)-form,o-(3,4-methylenedioxybenzoyl),me ester
{"Ingredient_id": "HBIN005747","Ingredient_name": "2-hydroxy-3-methylbutanoic acid,9ci; (r)-form,o-(3,4-methylenedioxybenzoyl),me ester","Alias": "NA","Ingredient_formula": "C14H16O6","Ingredient_Smile": "NA","Ingredient_weight": "280.27","OB_score": "NA","CAS_id": "126518-78-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8618","PubChem_id": "NA","DrugBank_id": "NA"}
asarumin d
{"Ingredient_id": "HBIN017034","Ingredient_name": "asarumin d","Alias": "NA","Ingredient_formula": "C14H16O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1839","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
