Exact Mass: 422.0688
Exact Mass Matches: 422.0688
Found 332 metabolites which its exact mass value is equals to given mass value 422.0688,
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
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
2-Methoxy-5-(2,4-dioxo-5-thiazolidinyl)-N-((4-(trifluoromethyl)phenyl)methyl)benzamide
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
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].
6-Ketodehydroamorphigenin
1,2-Diacetoxy-7,8-dihydro-4-hydroxy-3-(4-hydroxyphenyl)dibenzofuran-7,8-dion
4-De-O-Ac,4-(2-methylpropanoyl)-Antibiotic FL 120B|FL-120B
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
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
p-Phenylazobenzoyl-4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol
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]
Ala Cys Asp Asp
Ala Asp Cys Asp
Ala Asp Asp Cys
Cys Ala Asp Asp
Cys Asp Ala Asp
Cys Asp Asp Ala
Cys Asp Glu Gly
Cys Asp Gly Glu
Cys Glu Asp Gly
Cys Glu Gly Asp
Cys Gly Asp Glu
Cys Gly Glu Asp
Asp Ala Cys Asp
Asp Ala Asp Cys
Asp Cys Ala Asp
Asp Cys Asp Ala
Asp Cys Glu Gly
Asp Cys Gly Glu
Asp Asp Ala Cys
Asp Asp Cys Ala
Asp Glu Cys Gly
Asp Glu Gly Cys
Asp Gly Cys Glu
Asp Gly Glu Cys
Glu Cys Asp Gly
Glu Cys Gly Asp
Glu Asp Cys Gly
Glu Asp Gly Cys
Glu Gly Cys Asp
Glu Gly Asp Cys
Gly Cys Asp Glu
Gly Cys Glu Asp
Gly Asp Cys Glu
Gly Asp Glu Cys
Gly Glu Cys Asp
Gly Glu Asp Cys
SC-51089
1-O-Caffeoyl-(b-D-glucose 6-O-sulfate)
N-[2-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-5-(diethylamino)phenyl]acetamide
1-((2-(7-BROMOQUINOLIN-4-YL)-1-(6-METHYLPYRIDIN-2-YL)ETHYLIDENE)AMINO)PYRROLIDIN-2-ONE
4-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
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
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
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
Ibezapolstat
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
4-[2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
7-(2,5-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2,3:4,5]thieno[2,3-b]pyridin-2(1H)-one
N-(3-chloro-2,4,6-trifluorophenyl)sulfonyl-1-adamantanecarbohydrazide
4-ethoxy-N-[5-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide
N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(8-quinolinylsulfonyl)acetamide
Ethyl 5-carbamoyl-4-methyl-2-(perfluorobenzamido)thiophene-3-carboxylate
N-[4-(Aminosulfonyl)benzyl]-5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxamide
(2R)-2-[(R)-carboxy-[[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-methoxymethyl]-5-methylidene-2H-1,3-oxazine-4-carboxylic acid
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].
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
4-Fluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]butyl ester
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
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
1-Thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
2-Chloro-5-{5-[2-cyano-2-(4-methoxy-phenylcarbamoyl)-vinyl]-furan-2-yl}-benzoic acid
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
2-{2-[2-(Acetyloxy)-5-methoxy-3-nitrophenyl]vinyl}-4-quinolinyl acetate
[(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
[(3aS,4R,9bS)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(Z)-[4-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutylidene]amino] sulfate
(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
[(3aR,4R,9bR)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aS,4S,9bS)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aR,4S,9bR)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
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
[(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
2,3-Dihydroxypropyl 5-hydroxy-2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate
6,7,8,15,16,17-Hexahydro-7,16-methanocyclodeca[1,2-b:6,7-b]dinaphthalene-1,4,9,14,19-pentone
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
(2r,3r,4s,5r)-2-{3-chloro-12h-indolo[2,3-a]carbazol-11-yl}oxane-3,4,5-triol
(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
(2r,3r,4s,5r)-2-{8-chloro-12h-indolo[2,3-a]carbazol-11-yl}oxane-3,4,5-triol
(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"}
