Exact Mass: 422.0518948
Exact Mass Matches: 422.0518948
Found 263 metabolites which its exact mass value is equals to given mass value 422.0518948,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isomangiferin
Isomangiferin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7 and a 1,5-anhydro-D-glucitol moiety at position 1. It has a role as an anti-HSV-1 agent and a plant metabolite. It is a member of xanthones, a C-glycosyl compound and a polyphenol. Isomangiferin is a natural product found in Cystopteris moupinensis, Cystopteris montana, and other organisms with data available. Isomangiferin is found in fruits. Isomangiferin is a constituent of Mangifera indica (mango) Constituent of Mangifera indica (mango). Isomangiferin is found in fruits. Isomangiferin, a natural product, is reported to have antiviral activity. Isomangiferin, a natural product, is reported to have antiviral activity.
Trehalose 6-phosphate
Trehalose 6-phosphate is a substrate for Hexokinase (type I) and Tryptase beta-1. [HMDB]. Trehalose 6-phosphate is found in many foods, some of which are barley, cashew nut, kohlrabi, and american butterfish. Trehalose 6-phosphate is a substrate for Hexokinase (type I) and Tryptase beta-1. Trehalose 6-phosphate has been found to be a microbial metabolite in Escherichia, Mycobacterium and Saccharomyces (UniProt). KEIO_ID T065; [MS2] KO009301 D004791 - Enzyme Inhibitors KEIO_ID T065
Mangiferol
Mangiferol, also known as alpizarin or chinomin, is a member of the class of compounds known as xanthones. Xanthones are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Mangiferol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Mangiferol can be found in mango, which makes mangiferol a potential biomarker for the consumption of this food product. Mangiferin is a Nrf2 activator. Mangiferin suppresses nuclear translocation of the NF-κB subunits p65 and p50. Mangiferin exhibits antioxidant, antidiabetic, antihyperuricemic, antiviral, anticancer and antiinflammatory activities[1][2][3]. Mangiferin is a Nrf2 activator. Mangiferin suppresses nuclear translocation of the NF-κB subunits p65 and p50. Mangiferin exhibits antioxidant, antidiabetic, antihyperuricemic, antiviral, anticancer and antiinflammatory activities[1][2][3].
Lactose 6-phosphate
A lactose phosphate in which a single monophosphate substituent is placed at position 6 on the galactose ring of lactose.
Norswertianolin
Norswertianolin acts as a CSE activator and is isolated from G. acuta. Norswertianolin may be a potential agent for cardiovascular diseases[1][2].
Tripteroside
A xanthone glycoside that is norathyriol attached to a beta-D-glucopyranosyl residue at position 6 via a glycosidic linkage.
Chloramphenicol Succinate
C15H16Cl2N2O8 (422.02836759999997)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents Same as: D07675
Sucrose 6-phosphate
Sucrose-6-phosphate, also known as 6-O-phosphonosucrose or sucrose 6-phosphoric acid, is a member of the class of compounds known as disaccharide phosphates. Disaccharide phosphates are disaccharides carrying one or more phosphate group on a sugar unit. Sucrose-6-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Sucrose-6-phosphate can be found in a number of food items such as opium poppy, oyster mushroom, globe artichoke, and shea tree, which makes sucrose-6-phosphate a potential biomarker for the consumption of these food products. Sucrose-6-phosphate exists in E.coli (prokaryote) and yeast (eukaryote).
Maltose 1-phosphate
A maltose phosphate having the phosphate group located at the 1-position.
Lactose 6-phosphate
Lactose 6-phosphate is involved in the galactose metabolism system. Specifically, Lactose 6-phosphate is an intermediate in the production of D-tagatose-6-phosphate. Lactose 6-phosphate is produced from lactose by [EC:2.7.1.69]. Lactose 6-phosphate is converted to D-tagatose-6-phosphate by 6-phospho-beta-galactosidase [EC:3.2.1.85] and galactose-6-phosphate isomerase [EC:5.3.1.26]. [HMDB] Lactose 6-phosphate is involved in the galactose metabolism system. Specifically, Lactose 6-phosphate is an intermediate in the production of D-tagatose-6-phosphate. Lactose 6-phosphate is produced from lactose by [EC:2.7.1.69]. Lactose 6-phosphate is converted to D-tagatose-6-phosphate by 6-phospho-beta-galactosidase [EC:3.2.1.85] and galactose-6-phosphate isomerase [EC:5.3.1.26].
beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate
Mangiferin
Mangiferin is found in fruits. Mangiferin is a constituent of Mangifera indica (mango) Constituent of Mangifera indica (mango). Mangiferin is found in mango and fruits. Mangiferin is a Nrf2 activator. Mangiferin suppresses nuclear translocation of the NF-κB subunits p65 and p50. Mangiferin exhibits antioxidant, antidiabetic, antihyperuricemic, antiviral, anticancer and antiinflammatory activities[1][2][3]. Mangiferin is a Nrf2 activator. Mangiferin suppresses nuclear translocation of the NF-κB subunits p65 and p50. Mangiferin exhibits antioxidant, antidiabetic, antihyperuricemic, antiviral, anticancer and antiinflammatory activities[1][2][3].
1-O-Caffeoyl-(b-D-glucose 6-O-sulfate)
1-O-Caffeoyl-(b-D-glucose 6-O-sulfate) is found in green vegetables. 1-O-Caffeoyl-(b-D-glucose 6-O-sulfate) is isolated from Pteridium aquilinum (bracken fern).
1,4-Bis-[(4-chloro-phenoxy)-acetyl]-piperazine
2-(2-Chloro-4-fluorobenzyl)-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
LXR-623 is a brain-penetrant partial LXRα and full LXRβ agonist, with IC50s of 24 nM and 179 nM, respectively.
Aurintricarboxylic acid
Aurintricarboxylic acid is a nanomolar-potency, allosteric antagonist with selectivity towards αβ-methylene-ATP-sensitive P2X1Rs and P2X3Rs, with IC50s of 8.6 nM and 72.9 nM for rP2X1R and rP2X3R, respectively[1]. Aurintricarboxylic acid is a potent anti-influenza agent by directly inhibiting the neuraminidase[2]. Aurintricarboxylic acid is an inhibitor of topoisomerase II and apoptosis[3]. Aurintricarboxylic acid is a selective inhibitor of the TWEAK-Fn14 signaling pathway[4]. Aurintricarboxylic acid also acts as a cystathionine-lyase (CSE) inhibitor with an IC50 of 0.6 μM[5]. Aurintricarboxylic acid is a modifier of miRNAs that regulate miRNA function, with an IC50 of 0.47 μM[6].
Chloramphenicol succinate
C15H16Cl2N2O8 (422.02836759999997)
Acetic acid, (4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester
Sucrose phosphate
Sucrose-6-phosphate
3-methylsulfinylpropyl-glucosinolate
C11H20NO10S3 (422.02493200000004)
3-methylsulfinylpropyl-glucosinolate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 3-methylsulfinylpropyl-glucosinolate can be found in a number of food items such as strawberry guava, mung bean, mamey sapote, and lentils, which makes 3-methylsulfinylpropyl-glucosinolate a potential biomarker for the consumption of these food products.
Mangiferin
Mangiferin is a C-glycosyl compound consisting of 1,3,6,7-tetrahydroxyxanthen-9-one having a beta-D-glucosyl residue at the 6-position. It has a role as a hypoglycemic agent, an antioxidant, an anti-inflammatory agent and a plant metabolite. It is a C-glycosyl compound and a member of xanthones. It is functionally related to a xanthone. It is a conjugate acid of a mangiferin(1-). Mangiferin is a natural product found in Salacia chinensis, Smilax bracteata, and other organisms with data available. See also: Mangifera indica bark (part of). A C-glycosyl compound consisting of 1,3,6,7-tetrahydroxyxanthen-9-one having a beta-D-glucosyl residue at the 6-position. Origin: Plant Mangiferin is a Nrf2 activator. Mangiferin suppresses nuclear translocation of the NF-κB subunits p65 and p50. Mangiferin exhibits antioxidant, antidiabetic, antihyperuricemic, antiviral, anticancer and antiinflammatory activities[1][2][3]. Mangiferin is a Nrf2 activator. Mangiferin suppresses nuclear translocation of the NF-κB subunits p65 and p50. Mangiferin exhibits antioxidant, antidiabetic, antihyperuricemic, antiviral, anticancer and antiinflammatory activities[1][2][3].
Villosone
6-Ketodehydroamorphigenin
1,2-Diacetoxy-7,8-dihydro-4-hydroxy-3-(4-hydroxyphenyl)dibenzofuran-7,8-dion
9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl acetate
1,6,8-trihydroxy-3-propylanthraquinone-2-carboxylic acid 6-O-sulfate|ptilometric acid 6-O-sulfate
C18H14O10S (422.03076640000006)
Isomangiferin
Isomangiferin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7 and a 1,5-anhydro-D-glucitol moiety at position 1. It has a role as an anti-HSV-1 agent and a plant metabolite. It is a member of xanthones, a C-glycosyl compound and a polyphenol. Isomangiferin is a natural product found in Cystopteris moupinensis, Cystopteris montana, and other organisms with data available. A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7 and a 1,5-anhydro-D-glucitol moiety at position 1. Isomangiferin, a natural product, is reported to have antiviral activity. Isomangiferin, a natural product, is reported to have antiviral activity.
(4R,5S)-melithiazol M|melithiazol M|melithiazole M
1,3,7,8-tetrahydroxyxanthone-8-O-beta-D-glucopyranoside|1,3,7,8-Tetrahydroxyxanthone-8-O-??-D-glucopyranoside|triptexanthoside A
theophylline-9-beta-D-glucopyranosyl-6-monophosphate
3,3-Dimethyl-9,10-dimethoxy-6-hydroxy-3H-bis[1]benzopyrano[3,4-b:6,5-e]pyran-7,13-dione
8FEU38L6GD
Norswertianolin is a beta-D-glucoside that is bellidin in which a beta-D-glucopyranosyl residue is attached at position O-8. A natural product found particularly in Gentiana campestris and Gentiana germanica. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a metabolite. It is a member of xanthones and a beta-D-glucoside. It is functionally related to a bellidin. Norswertianolin is a natural product found in Gentianella amarella, Swertia macrosperma, and other organisms with data available. A beta-D-glucoside that is bellidin in which a beta-D-glucopyranosyl residue is attached at position O-8. A natural product found particularly in Gentiana campestris and Gentiana germanica. Norswertianolin acts as a CSE activator and is isolated from G. acuta. Norswertianolin may be a potential agent for cardiovascular diseases[1][2].
1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
1,5,8-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
1,5,8-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one [IIN-based: Match]
1,5,8-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one [IIN-based on: CCMSLIB00000847255]
1-O-Caffeoyl-(b-D-glucose 6-O-sulfate)
8-BENZYLOXY-3-IODO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
2,2-DIBROMO-4,4-DI-TERT-BUTYL-1,1-BIPHENYL
C20H24Br2 (422.02446239999995)
2-[(DIETHOXYPHOSPHOROTHIOYL)OXY]-6-(2-THIENYL)-4-(TRIFLUOROMETHYL)NICOTINONITRILE
1-((2-(7-BROMOQUINOLIN-4-YL)-1-(6-METHYLPYRIDIN-2-YL)ETHYLIDENE)AMINO)PYRROLIDIN-2-ONE
2-(3-(5-BROMOPYRIMIDIN-2-YL)BENZYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)PYRIDAZIN-3(2H)-ONE
(4-CHLORO-2-FLUOROPHENYL)(6-CHLORO-2-METHYL-8-(MORPHOLINOMETHYL)IMIDAZO[1,2-B]PYRIDAZIN-3-YL)METHANONE
dipotassium,1,2,3,4,5,6,7,8,10,11,12-undecafluoro-2,3,4,5,6,7,8,11,12-nonabora-1,10-diboranuidabicyclo[8.1.1]dodecane
[(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-fluorooxolan-2-yl]methyl benzoate
Pyrido[2,3-d]pyrimidine-6-carbonitrile,5-(2-chlorophenyl)-8-(4-chlorophenyl)-1,4,7,8-tetrahydro-2-methyl-4,7-dioxo- (9CI)
3-iodo-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
C20H24BrFN2O2 (422.10050759999996)
4-Nitrophenyl2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfatepotassiumsalt
Omoconazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
4-[2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C15H16Cl2N2O8 (422.02836759999997)
7-(2,5-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2,3:4,5]thieno[2,3-b]pyridin-2(1H)-one
C19H13F3N2O4S (422.05480940000007)
N-(3-chloro-2,4,6-trifluorophenyl)sulfonyl-1-adamantanecarbohydrazide
C17H18ClF3N2O3S (422.06787040000006)
N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(8-quinolinylsulfonyl)acetamide
Ethyl 5-carbamoyl-4-methyl-2-(perfluorobenzamido)thiophene-3-carboxylate
C16H11F5N2O4S (422.03596660000005)
N-[4-(Aminosulfonyl)benzyl]-5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxamide
C17H15ClN4O5S (422.04516500000005)
(2R)-2-[(R)-carboxy-[[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-methoxymethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
C18H18N2O10 (422.09614080000006)
Carbenicillin disodium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Chinoinin
Mangiferin is a Nrf2 activator. Mangiferin suppresses nuclear translocation of the NF-κB subunits p65 and p50. Mangiferin exhibits antioxidant, antidiabetic, antihyperuricemic, antiviral, anticancer and antiinflammatory activities[1][2][3]. Mangiferin is a Nrf2 activator. Mangiferin suppresses nuclear translocation of the NF-κB subunits p65 and p50. Mangiferin exhibits antioxidant, antidiabetic, antihyperuricemic, antiviral, anticancer and antiinflammatory activities[1][2][3].
3-Methylsulfinylpropylglucosinolate
C11H20NO10S3- (422.02493200000004)
Thiamine(1+) diphosphate(3-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Cephapirin(1-)
The anion of cephapirin obtained by removal of a proton form the carboxylic acid group.
mannose-1D-myo-inositol 1-phosphate
A phosphorylated mannosylinositol compound which constitutes the head group of some mannosylinositol phosphorylceramides (the MIPCs), and is a product of their catabolism.
6-phospho-beta-D-glucosyl-(1->4)-D-glucose
A disaccharide phosphate consisting of cellobiose having a monophosphate group at the 6-position.
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
[(E)-[3-phenyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate
[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl hydrogen sulfate
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
[(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] dihydrogen phosphate
3-O-(6-O-Phosphono-alpha-D-glucopyranosyl)-beta-D-fructopyranose
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
4-O-(6-O-Phosphono-alpha-D-glucopyranosyl)-beta-D-glucopyranose
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
[(2R,3S,4S,5R,6R)-6-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
[2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
3-methylsulfinylpropyl-glucosinolate
C11H20NO10S3- (422.02493200000004)
N2,N2,N9,N9-tetramethyl-11-oxo-5,6-dihydrodibenzo[3,1-b:3,1-f][7]annulene-2,9-disulfonamide
4-O-(3-O-sulfo-beta-D-galactopyranosyl)-beta-D-glucopyranose
1-(2-Fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-indolylidene]amino]thiourea
C22H16F2N4OS (422.10128299999997)
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
C21H18N4O2S2 (422.08711279999994)
1-Thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
C18H18N2O4S3 (422.04286680000007)
2-Chloro-5-{5-[2-cyano-2-(4-methoxy-phenylcarbamoyl)-vinyl]-furan-2-yl}-benzoic acid
C22H15ClN2O5 (422.06694500000003)
5-Chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
5-[[[5-(2,3-Dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-2-phenylthiazole
C21H18N4O2S2 (422.08711279999994)
[(2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl hydrogen sulfate
Phosphoric acid (3-methylphenyl) phenyl (2,2,2-trifluoro-1-phenylethyl) ester
2-(Thiophen-2-ylsulfonylamino)benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester
agrocinopine D
A member of the class of agrocinopines that consists of two D-glucose units joined via a (2<->2)-phosphodiester linkage.
4-O-(6-O-phosphono-beta-D-galactopyranosyl)-alpha-D-mannopyranose
1,5,8-Trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside
(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
C19H19FN2O6S (422.09478060000004)
[(3aS,4R,9bS)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C18H19BrN2O3S (422.02996840000003)
[(Z)-[4-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutylidene]amino] sulfate
C11H20NO10S3- (422.02493200000004)
(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
C19H19FN2O6S (422.09478060000004)
[(3aR,4R,9bR)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C18H19BrN2O3S (422.02996840000003)
[(3aS,4S,9bS)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C18H19BrN2O3S (422.02996840000003)
[(3aR,4S,9bR)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C18H19BrN2O3S (422.02996840000003)
beta-D-Galp6S-(1->4)-beta-D-Glcp
A glycosylglucose derivative that consists of beta-D-glucose having a 6-sulfated beta-D-galactosyl residue attached at position 4.
beta-D-Galp-(1->4)-beta-D-Glcp6S
A glycosylglucose derivative that consists of 6-sulfated beta-D-glucose with a beta-D-galactosyl residue attached at position 4.
4-O-(3-O-sulfo-D-galactopyranosyl)-D-glucopyranose
[3,4-Dihydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hydrogen sulate
[3,4-Dihydroxy-5-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hydrogen sulate
2-[(2Z)-2-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
[(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] dihydrogen phosphate
alpha-Maltose 6-phosphate
A maltose phosphate having the phosphate group placed at the 6-position.
Aurintricarboxylic acid
Aurintricarboxylic acid is a nanomolar-potency, allosteric antagonist with selectivity towards αβ-methylene-ATP-sensitive P2X1Rs and P2X3Rs, with IC50s of 8.6 nM and 72.9 nM for rP2X1R and rP2X3R, respectively[1]. Aurintricarboxylic acid is a potent anti-influenza agent by directly inhibiting the neuraminidase[2]. Aurintricarboxylic acid is an inhibitor of topoisomerase II and apoptosis[3]. Aurintricarboxylic acid is a selective inhibitor of the TWEAK-Fn14 signaling pathway[4]. Aurintricarboxylic acid also acts as a cystathionine-lyase (CSE) inhibitor with an IC50 of 0.6 μM[5]. Aurintricarboxylic acid is a modifier of miRNAs that regulate miRNA function, with an IC50 of 0.47 μM[6].
gluconasturtiin(1-)
A aralkylglucosinolate that is the conjugate base of gluconasturtiin.
6P-beta-D-Galp-(1->4)-alpha-D-Manp
A disaccharide phosphate corresponding to part of the oligosaccharide repeating unit of Leishmania major promastigote lipophosphoglycan.
bellidin-8-O-beta-D-glucopyranoside
A natural product found particularly in Gentiana campestris and Gentiana germanica.
sucrose 6(G)-phosphate
A disaccharide phosphate that is sucrose carrying a single monophosphate substituent at position 6 on the glucose ring.
beta-D-Galp3S-(1->4)-beta-D-Glcp
A glycosylglucose derivative that consists of beta-D-glucose having a 3-sulfated beta-D-galactosyl residue attached at position 4.
Thiamine(1+) diphosphate(3-)
Dianion of thiamine(1+) diphosphate arising from deprotonation of the three OH groups of the diphosphate.
HIF-1 inhibitor-4
HIF-1 inhibitor-4 is a HIF-1 inhibitor (IC50: 560 nM). HIF-1 inhibitor-4 reduces the HIF-1α protein level without affecting its mRNA level[1].
1,3,7-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(1r,4s,5r,6r,9r,11r,14s,15r,16r,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone
1,3,6,7-tetrahydroxy-2-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
(5r,6r)-3-[(r)-(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-7-oxo-6-[2-(sulfooxy)propan-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
methyl 1,5-dihydroxy-5-(8-hydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-methoxy-4-oxocyclopent-2-ene-1-carboxylate
1,2,6-trihydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(1s,4r,5s,6s,9s,11s,14r,15s,16s,19s)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone
2,3,6-trihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
1,3,7,8-tetrahydroxyxanthone-1-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001104","Ingredient_name": "1,3,7,8-tetrahydroxyxanthone-1-o-beta-d-glucopyranoside","Alias": "1,3,7,8-tetrahydroxyxanthone-1-o-\u03b2-d-gluco-pyranoside","Ingredient_formula": "C19H18O11","Ingredient_Smile": "C1=CC2=C(C(=C1O)O)C(=O)C3=C(C=C(C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32045;21156","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,3,7,8-tetrahydroxyxanthone-8-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001105","Ingredient_name": "1,3,7,8-tetrahydroxyxanthone-8-o-beta-d-glucopyranoside","Alias": "1,3,7,8-tetrahydroxyxanthone-8-o-\u03b2-d-gluco-pyranoside","Ingredient_formula": "C19H18O11","Ingredient_Smile": "C1=CC2=C(C(=C1O)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4O2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32046;21157","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-p-coumaroylglucose; beta-d-form,3'-hydroxy,6-o-sulfate
{"Ingredient_id": "HBIN002929","Ingredient_name": "1-o-p-coumaroylglucose; beta-d-form,3'-hydroxy,6-o-sulfate","Alias": "NA","Ingredient_formula": "C15H18O12S","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9123","PubChem_id": "NA","DrugBank_id": "NA"}
5-o-β-d-glucopyranosyl-1,3,8-trihydroxy-anthone
{"Ingredient_id": "HBIN011836","Ingredient_name": "5-o-\u03b2-d-glucopyranosyl-1,3,8-trihydroxy-anthone","Alias": "NA","Ingredient_formula": "C19H18O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8739","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(7-bromo-5-chloro-8-ethyl-3,6,7,8-tetrahydro-2h-oxocin-2-yl)-2-chlorohex-3-en-5-yn-1-yl acetate
2,3,6-trihydroxy-7-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(6r)-10-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),3,8,10,14(19),15,17-heptaene-12,21-dione
1,3,7-trihydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
methyl (2e,4r,5s,6e)-7-[2-(2-acetyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-3,5-dimethoxy-4-methylhepta-2,6-dienoate
9-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3h-naphtho[2,3-c]furan-4-yl acetate
1,3,6,8-tetrahydroxy-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone
5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone
1,6,7-trihydroxy-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]xanthen-9-one
(5r,6r)-3-[(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-7-oxo-6-[2-(sulfooxy)propan-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
1,3,7-trihydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
1,4,5,7-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
3-[1-(3,4-dihydroxyphenyl)-3-oxobut-1-en-2-yl]-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-one
(1s,10r)-4,6-dichloro-13,15-dihydroxy-3-methoxy-5,9,9-trimethyl-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-16-carbaldehyde
[6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-3,4,5-trihydroxyoxan-2-yl]methoxyphosphonic acid
1,8-dihydroxy-9,10-dioxo-3-propyl-6-(sulfooxy)anthracene-2-carboxylic acid
C18H14O10S (422.03076640000006)