Exact Mass: 280.05830019999996
Exact Mass Matches: 280.05830019999996
Found 500 metabolites which its exact mass value is equals to given mass value 280.05830019999996,
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
FG-2216
FG-2216 (IOX3) is a potent and orally active inhibitor of HIF prolyl hydroxylase-2 (PHD2), with an IC50 of 3.9 μM. FG-2216 induces robust erythropoietin and modest fetal hemoglobin in vivo[1][2][3].
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
Methoxybrassenin A
C13H16N2OS2 (280.07040059999997)
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.
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.
Neodunol
Neodunol is found in jicama. Neodunol is isolated from Pachyrrhizus erosus (yam bean). Isolated from Pachyrrhizus erosus (yam bean). Neodunol is found in jicama and pulses.
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
C10H20N2O3S2 (280.09152900000004)
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]
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)
Benzofuran isophthalate
N-[(1-Chloro-4-hydroxyisoquinolin-3-YL)carbonyl]glycine
FG-2216 (IOX3) is a potent and orally active inhibitor of HIF prolyl hydroxylase-2 (PHD2), with an IC50 of 3.9 μM. FG-2216 induces robust erythropoietin and modest fetal hemoglobin in vivo[1][2][3].
N-(gamma-Maleimidobutyryloxy)succinimide
Mitoflaxone
C26170 - Protective Agent > C275 - Antioxidant > C306 - Bioflavonoid D000970 - Antineoplastic Agents D007155 - Immunologic Factors
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
6-acetoxy-8,9-dehydro-6-carbomethoxy-10-hydroxy-thymol
1H-Benzo[de][1,6]naphthyridine-8,9-diol 9-sulfate
C11H8N2O5S (280.01539180000003)
(3R*,4R*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-3-(2-oxopropyl)naphthalen-1(2H)-one|balticol D
7-(phenyl-methylcarbonyl)oxy-2H-1-benzopyran-2-one|7-phenylacetoxycoumarin
(5Z)-5-(4-hydroxybenzylidene)-4-(4-hydroxyphenyl)furan-2(5H)-one|4-(4-hydroxyphenyl)-5-[(Z)-(4-hydroxyphenyl)methylidene]furan-2-one|Rubrolide E
6-acetyl-1,4,5,7,8-pentahydroxynaphthalene-2,3-dione
(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
C10H20N2O3S2 (280.09152900000004)
N-(9H-Purin-6-ylcarbamoyl)threonine
C10H12N6O4 (280.09199920000003)
Zhebeiresinol
Zhepeiresinol is a natural product found in Magnolia kachirachirai, Ilex pubescens, and Callicarpa pilosissima with data available.
Asp-phe
A dipeptide formed from L-alpha-aspartyl and L-phenylalanine residues. It is obtained after the hydrolysis of aspartame in intestinal lumen.
Met-met
C10H20N2O3S2 (280.09152900000004)
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
Methoxybrassenin A
C13H16N2OS2 (280.07040059999997)
(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
4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate
C11H8N2O5S (280.01539180000003)
bis(4-methoxyphenyl)chlorophosphine
C14H14ClO2P (280.04199040000003)
3-(2-AMINOETHYLSULFANYL)-1-(4-METHOXY-PHENYL)PYRROLIDINE-2,5-DIONE
6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
C13H7F3N2S (280.02820180000003)
(2S,4S)-6-FLUORO-2,5-DIOXOSPIRO[CHROMAN-4,4-IMIDAZOLIDINE]-2-CARBOXYLIC ACID
3-{[3-(TRIFLUOROMETHYL)BENZYL]OXY}BENZALDEHYDE
C15H11F3O2 (280.07111019999996)
4-{[3-(TRIFLUOROMETHYL)BENZYL]OXY}BENZALDEHYDE
C15H11F3O2 (280.07111019999996)
N,N,N,N-Tetramethylchloroformamidinium hexafluorophosphate
C5H12ClF6N2P (280.03307839999997)
tert-Butyl 6-(aminomethyl)thieno[2,3-d]pyrimidin-4-ylcarbamate
3,5-Bis(trifluoromethyl)phenylhydrazine hydrochloride
[3-(Trifluoromethyl)-4-biphenylyl]acetic acid
C15H11F3O2 (280.07111019999996)
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
3-CHLORO-4-(4-FLUOROBENZYLOXY)PHENYLBO&
C13H11BClFO3 (280.04737680000005)
3-CHLORO-4-(2-FLUOROBENZYLOXY)PHENYLBO&
C13H11BClFO3 (280.04737680000005)
(S)-3-(4’-Methoxy-3’-sulfonamidophenyl)-2-propylamine Hydrochloride
4-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-fluorobenzon itrile
C16H9FN2O2 (280.06480259999995)
3-METHYL-5-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C15H11F3O2 (280.07111019999996)
{[5-(1,3-BENZODIOXOL-5-YL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID
C11H8N2O5S (280.01539180000003)
2-{[3-(TRIFLUOROMETHYL)BENZYL]OXY}BENZALDEHYDE
C15H11F3O2 (280.07111019999996)
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
C13H11BClFO3 (280.04737680000005)
2,2-DITHIO-BIS[N,N-DIMETHYL]ETHANEAMINE DIHYDROCHLORIDE
4-(2-METHYL-4-OXO-4 H-QUINAZOLIN-3-YL)-BENZOIC ACID
2-PYRIDIN-3-YL-5-TRIFLUOROMETHYL-BENZOTHIAZOLE
C13H7F3N2S (280.02820180000003)
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-Benzyloxy-2-chloro-6-fluorophenylboronic acid
C13H11BClFO3 (280.04737680000005)
TRIMETHYL STANNYL BUTYL DIMETHYL SILANE
C9H24SiSn (280.06691739999997)
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
cyclopropylmethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
C10H8ClF3N2O2 (280.02263739999995)
1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLE-2-CARBALDEHYDE
C11H8N2O5S (280.01539180000003)
3-((2-NITRO-4-(TRIFLUOROMETHYL)PHENYL)AMINO)PROPANE-1,2-DIOL
3-Benzyloxy-4-chloro-2-fluorophenylboronic acid
C13H11BClFO3 (280.04737680000005)
2-(3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-YL)ACETIC ACID
C15H11F3O2 (280.07111019999996)
METHYL 4-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-CARBOXYLATE
C15H11F3O2 (280.07111019999996)
3-CHLORO-2-(PIPERIDIN-4-YLOXY)-5-(TRIFLUOROMETHYL)PYRIDINE
methyl 2-[4-(trifluoromethyl)phenyl]benzoate
C15H11F3O2 (280.07111019999996)
4-Chloro-7-fluoro-6-(2-methoxyethoxy)-3-quinolinecarbonitrile
C13H10ClFN2O2 (280.04148019999997)
1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
4-Chloro-7-(2-chloroethoxy)-6-methyl-3-quinolinecarbonitrile
METHYL 4-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLATE
C15H11F3O2 (280.07111019999996)
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
2,2-diphenylethanesulfonyl chloride
C14H13ClO2S (280.03247480000005)
ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate
C11H8ClF3O3 (280.01140439999995)
1-[(2,4-Dichlorophenyl)methyl]-piperazine dihydrochloride
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
5,7-bis(trifluoromethyl)-3-cyanopyrazolo[1,5-a]pyrimidine
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
4-Chloro-2-methylsulfanyl-6-piperazin-1-yl-pyrimidine hydrochloride
(S)-(6-(((tetrahydrofuran-3-yl)oxy)methyl)pyridin-2-yl)methanamine dihydrochloride
3-Fluoro-N-(S)-pyrrolidin-3-yl-benzenesulfonaMide hydrochloride
1-(2-bromoethyl)-3-(prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one
Pyridin-4-yl-glycine tert-butyl ester dihydrochloride
[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]boronic acid
C13H11BClFO3 (280.04737680000005)
(2-((3-CHLOROBENZYL)OXY)-5-FLUOROPHENYL)BORONIC ACID
C13H11BClFO3 (280.04737680000005)
(4-((2-CHLORO-4-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID
C13H11BClFO3 (280.04737680000005)
(2-((4-CHLOROBENZYL)OXY)-5-FLUOROPHENYL)BORONIC ACID
C13H11BClFO3 (280.04737680000005)
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
Chlorobis(2-methoxyphenyl)phosphine
C14H14ClO2P (280.04199040000003)
(2-CHLORO-4-MORPHOLINOPYRIDO[2,3-D]PYRIMIDIN-7-YL)METHANOL
Z-3-Chloro-1-(2-chlorophenyl)-2-(4-fluorophenyl)-propene
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
C9H16N2O8 (280.09066160000003)
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
isopropyl 6-O-acetyl-beta-D-thiogalactopyranoside
C11H20O6S (280.09805400000005)
(2R)-2-amino-3-[(E)-N-hydroxy-C-(5-methylsulfanylpentyl)carbonimidoyl]sulfanylpropanoic acid
C10H20N2O3S2 (280.09152900000004)
N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamide
C13H16N2OS2 (280.07040059999997)
2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]benzamide
N-(4-fluoro-3-nitrophenyl)-3-methyl-2-thiophenecarboxamide
C12H9FN2O3S (280.03178959999997)
4-{(E)-[2-(1H-benzimidazol-2-yl)hydrazinylidene]methyl}benzoic acid
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
2-(2-Chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
C14H10ClFO3 (280.03024719999996)
3,7-Dimethyl-2-(methylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
C13H16N2OS2 (280.07040059999997)
(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
C13H16N2OS2 (280.07040059999997)
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
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.
1-(4-(chloromethyl)phenyl)sulfonyl-4-methylbenzene
C14H13ClO2S (280.03247480000005)
Chloromethylphenylsulfonylmethylbenzene
C14H13ClO2S (280.03247480000005)
(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
6-chloro-5-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2,2,7-trimethyl-3h-inden-1-one
2-acetyl-3,5,6,7,8-pentahydroxynaphthalene-1,4-dione
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
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"}
1-(3-bromo-1,2,2-trimethylcyclopentyl)-4-methylbenzene
3-(chloromethyl)-6-hydroxy-4,7,7-trimethyl-3h,6h,8h-indeno[4,5-c]furan-1-one
methyl 3-[(3r)-7-hydroxy-8-methoxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoate
6-hydroxy-3,4,8-trimethoxy-2-oxochromene-5-carbaldehyde
2-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
1-methyl-7h,8h,9h-phenanthro[1,2-b]furan-6,10,11-trione
(2r)-2-hydroxy-3-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)propanoic acid
6,7,8-trimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
(2s)-2-[(2r)-1-(acetyloxy)-2-hydroxypropan-2-yl]-2,3-dihydro-1-benzofuran-5-carboxylic acid
[7-hydroxy-2-(2-hydroxypropyl)-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid
(3s,6s)-3-(chloromethyl)-6-hydroxy-4,7,7-trimethyl-3h,6h,8h-indeno[4,5-c]furan-1-one
6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
5,8-dihydroxy-2,6,7-trimethoxynaphthalene-1,4-dione
(3ar,4s,6ar)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(3s,5s)-5-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-3-methoxyoxolan-2-one
(4r,6r)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
3-oxo-3-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]propanoic acid
6-ethyl-2,5,7,8-tetrahydroxy-3-methoxynaphthalene-1,4-dione
4,5,8-trihydroxy-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
methyl 4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxybut-3-enoate
3-[(2s,4s)-2,4-dihydroxypentyl]-6,8-dihydroxyisochromen-1-one
3-oxo-3-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}propanoic acid
3-[(2r,4r)-2,4-dihydroxypentyl]-6,8-dihydroxyisochromen-1-one
methyl 2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
methyl 4-oxo-4-{9h-pyrido[3,4-b]indol-1-yl}but-2-enoate
6-ethyl-3,5,7,8-tetrahydroxy-2-methoxynaphthalene-1,4-dione
(3s)-6-methoxy-5'-(methylsulfanyl)-3'h-spiro[indole-3,2'-[1,4]thiazol]-2-ol
(3as,4r,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(2r,5s)-2,5-dihydroxycyclopentyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
methyl (1r,2r,3r)-2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentane-1-carboxylate
4-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione
(2r)-1-methoxy-5'-(methylsulfanyl)-3'h-spiro[indole-2,2'-[1,4]thiazol]-3-one
(4r,6r)-6-[(1r)-1-bromo-2-methylpropyl]-1,4-dimethyl-5,6-dihydro-4h-indene
(3as,6s,6ar,9ar,9br)-8-chloro-6,9a-dimethyl-3-methylidene-3ah,4h,5h,6h,6ah,9bh-azuleno[4,5-b]furan-2,9-dione
3-(2,4-dihydroxypentyl)-6,8-dihydroxyisochromen-1-one
13-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione
12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
(1r,2r,4s,6r)-9-chloro-1,4-dimethyl-11-methylidene-10-oxotricyclo[6.3.0.0²,⁶]undec-8-ene-4-carboxylic acid
3-(1,2-dihydroxypropyl)-6,8-dimethoxychromen-2-one
3-(hydroxymethyl)-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
1-[(1s,3s)-3-bromo-1,2,2-trimethylcyclopentyl]-4-methylbenzene
4,9,13-trihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.0¹,¹⁰.0³,⁸]tetradeca-3,5,7-trien-2-one
1-[3-(bromomethyl)-1-methyl-2-methylidenecyclopentyl]-4-methylcyclohexa-1,4-diene
5-[5-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]-3-methylhexa-2,4-dienoic acid
8,17-diazatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-2,4,6,8,11,13,15,17-octaene-1,9,18-triol
(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl (2e)-3-phenylprop-2-enoate
2-(hydroxymethyl)-6-(thian-3-yloxy)oxane-3,4,5-triol
C11H20O6S (280.09805400000005)
(1s,2'r,3's,5's)-2',3',4-trihydroxy-6-methoxy-5'-methylspiro[2-benzofuran-1,1'-cyclopentan]-3-one
5,8-dihydroxy-2,3,6-trimethoxynaphthalene-1,4-dione
(1r,2r,3r)-2,3-dihydroxycyclopentyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,9r,10s,13r)-4,9,13-trihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.0¹,¹⁰.0³,⁸]tetradeca-3,5,7-trien-2-one
(1r,10r)-8,17-diazatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-2,4,6,8,11,13,15,17-octaene-1,9,18-triol
3,13-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
2-hydroxy-3-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)propanoic acid
(2r)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
(2r,3r,4s,6s)-3,4,10-trihydroxy-12-methoxy-6-methyl-7-oxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-8-one
methyl 2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentane-1-carboxylate
2-[(r)-methanesulfinyl]-9-methoxy-4h-[1,3]thiazino[6,5-b]indole
(4,8-dihydroxy-3,4-dimethyl-1-oxo-3h-2-benzopyran-7-yl)methyl acetate
[(2s)-7-hydroxy-2-[(2s)-2-hydroxypropyl]-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid
methyl (2e)-4-oxo-4-{9h-pyrido[3,4-b]indol-1-yl}but-2-enoate
1-[(1s,3s)-3-(bromomethyl)-1-methyl-2-methylidenecyclopentyl]-4-methylcyclohexa-1,4-diene
methyl (2z)-3-[5-(acetyloxy)-2-hydroxy-4-methylphenyl]-4-hydroxybut-2-enoate
(3s,5r)-5-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-3-methoxyoxolan-2-one
methyl 3-[5-(acetyloxy)-2-hydroxy-4-methylphenyl]-4-hydroxybut-2-enoate
(5z)-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one
5-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-3-methoxyoxolan-2-one
(4r,6s)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
3,4,10-trihydroxy-12-methoxy-6-methyl-7-oxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-8-one
2-hydroxy-2-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]butanedioic acid
6-(1-bromo-2-methylpropyl)-1,4-dimethyl-5,6-dihydro-4h-indene
2,3-dihydroxycyclopentyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(3s,4s)-4,5,8-trihydroxy-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
(3ar,4s,6ar)-4-(3-hydroxy-4,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(2e,4e)-5-[(2s,3s)-5-(2-carboxyethyl)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]penta-2,4-dienoic acid
[(2r)-7-hydroxy-2-[(2s)-2-hydroxypropyl]-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid
(3ar,4r,6ar)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
6-methoxy-5'-(methylsulfanyl)-3'h-spiro[indole-3,2'-[1,4]thiazol]-2-ol
8-hydroxy-2-[(1e)-2-methanesulfinylethenyl]-7-methoxychromen-4-one
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(3s)-thian-3-yloxy]oxane-3,4,5-triol
C11H20O6S (280.09805400000005)