Exact Mass: 346.0444
Exact Mass Matches: 346.0444
Found 406 metabolites which its exact mass value is equals to given mass value 346.0444,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-Methoxy-7-methylquercetin
6-methoxy-7-methylquercetin, also known as eupatoletin, is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, 6-methoxy-7-methylquercetin is considered to be a flavonoid lipid molecule. 6-methoxy-7-methylquercetin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-methoxy-7-methylquercetin can be found in german camomile, which makes 6-methoxy-7-methylquercetin a potential biomarker for the consumption of this food product. Eupatolitin is a tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 3 and 4 and methoxy groups at positions 6 and 7 respectively. It is a tetrahydroxyflavone, a dimethoxyflavone and a member of flavonols. It is functionally related to a flavone. Eupatolitin is a natural product found in Dicoma tomentosa, Haplopappus foliosus, and other organisms with data available.
DIBOA trihexose
Syringetin,?a flavonoid derivative, is associated with increased BMP-2 production. Syringetin stimulates osteoblast differentiation at various stages, from maturation to terminally differentiated osteoblasts[1]. Syringetin,?a flavonoid derivative, is associated with increased BMP-2 production. Syringetin stimulates osteoblast differentiation at various stages, from maturation to terminally differentiated osteoblasts[1].
Aflatoxin B1 diol
This compound belongs to the family of Difurocoumarocyclopentenone Series. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton. Difurocoumarocyclopentenones are a subgroup of the aflatoxins and related compounds D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
Aflatoxin B1 dialdehyde
Limocitrin
Limocitrin is a hydroxyflavan. Limocitrin is a natural product found in Sedum anglicum, Sedum forsterianum, and other organisms with data available. Limocitrin is found in citrus. Limocitrin is a constituent of citrus fruit peels Constituent of citrus fruit peels. Limocitrin is found in lemon and citrus.
Syringetin
Syringetin is a dimethoxyflavone that is myricetin in which the hydroxy groups at positions 3 and 5 have been replaced by methoxy groups. It has a role as a platelet aggregation inhibitor and a metabolite. It is a tetrahydroxyflavone, a dimethoxyflavone, a 7-hydroxyflavonol, a member of 3-methoxyflavones and a 3,5-dimethoxyflavone. It is functionally related to a myricetin. It is a conjugate acid of a syringetin(1-). Syringetin is a natural product found in Lysimachia congestiflora, Chondropetalum, and other organisms with data available. A dimethoxyflavone that is myricetin in which the hydroxy groups at positions 3 and 5 have been replaced by methoxy groups. Syringetin,?a flavonoid derivative, is associated with increased BMP-2 production. Syringetin stimulates osteoblast differentiation at various stages, from maturation to terminally differentiated osteoblasts[1]. Syringetin,?a flavonoid derivative, is associated with increased BMP-2 production. Syringetin stimulates osteoblast differentiation at various stages, from maturation to terminally differentiated osteoblasts[1].
Spinacetin
Isolated from spinach (Spinacia oleracea). Spinacetin is found in german camomile, green vegetables, and spinach. Spinacetin is found in german camomile. Spinacetin is isolated from spinach (Spinacia oleracea
6-(4-carboxy-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(4-carboxy-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4,5-trihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
3,3'-Bisjuglone
3,3-Bisjuglone is found in nuts. 3,3-Bisjuglone is a constituent of Juglans regia (walnut). Constituent of Juglans regia (walnut). 3,3-Bisjuglone is found in nuts.
3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxane-2-carboxylic acid
Methyl 6-O-galloyl-beta-D-glucopyranoside
Methyl 6-O-galloyl-beta-D-glucopyranoside is found in green vegetables. Tannin constituent of burnet bloodwort (Sanguisorba officinalis). Tannin constituent of burnet bloodwort (Sanguisorba officinalis). Methyl 6-O-galloyl-beta-D-glucopyranoside is found in green vegetables.
Aflatoxin G2a
Aflatoxin G2a is a minor mycotoxin produced by Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987).
Aflatoxin GM2
Aflatoxin GM2 is a minor mycotoxin produced by Aspergillus flavus and Aspergillus parasiticus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987).
5,6,7,8-Tetrahydroxy-3',4'-dimethoxyflavone
5,6,7,8-Tetrahydroxy-3,4-dimethoxyflavone is found in citrus. 5,6,7,8-Tetrahydroxy-3,4-dimethoxyflavone is isolated from Seville orange (Citrus aurantium). Isolated from Seville orange (Citrus aurantium). 5,6,7,8-Tetrahydroxy-3,4-dimethoxyflavone is found in citrus.
N1-(2-Hydroxyethyl)flurazepam
N1-(2-Hydroxyethyl)flurazepam is a metabolite of flurazepam. Flurazepam (marketed under the brand names Dalmane and Dalmadorm) is a drug which is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It produces a metabolite with a very long half-life (40–250 hours), which may stay in the bloodstream for up to four days. http://www. non-benzodiazepines. org. uk/equivalents. html Flurazepam is therefore unsuitable as a sleeping medication for some individuals due to next day sedation. (Wikipedia)
6-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3,4,5-trihydroxybenzoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Hydroxydehydro Nifedipine Carboxylate
Raclopride
Cyathusal B
An organic heterotricyclic compound that is 1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde substituted by hydroxy groups at positions 6, 9 and 10, methoxy group at position 8, oxo group at position 1 and a propenyl group at position 3. It is isolated from the fermented mushroom Cyathus stercoreus and exhibits radical scavenging activities.
Leucanthogenin
Leucanthogenin is a natural product found in Sideritis leucantha with data available.
Quercetagetin 3,4-dimethyl ether
Gossypetin 3,7-dimethyl ether
Gossypetin 3,8-dimethyl ether
7,8,3,4-Trihydroxy-3,5-dimethoxyflavone
Ganhuangenin
Viscidulin III is a compound isolated from the roots of Scutellaria planipes (L.)[1]. Viscidulin III can inhibit the proliferation of HL-60 (IC50= 17.4μM). Viscidulin III is a potential natural tumor inhibitor[2]. Viscidulin III is a compound isolated from the roots of Scutellaria planipes (L.)[1]. Viscidulin III can inhibit the proliferation of HL-60 (IC50= 17.4μM). Viscidulin III is a potential natural tumor inhibitor[2].
Axillarin
A dimethoxyflavone that is the 3,6-dimethyl ether derivative of quercetagetin. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4h-chromen-4-one, also known as 3,4,5,7-tetrahydroxy-3,6-dimethoxyflavone or 3,6-dimethoxyquercetagetin, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4h-chromen-4-one is considered to be a flavonoid lipid molecule. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4h-chromen-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4h-chromen-4-one can be found in german camomile, which makes 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4h-chromen-4-one a potential biomarker for the consumption of this food product.
Syringetin
Syringetin,?a flavonoid derivative, is associated with increased BMP-2 production. Syringetin stimulates osteoblast differentiation at various stages, from maturation to terminally differentiated osteoblasts[1]. Syringetin,?a flavonoid derivative, is associated with increased BMP-2 production. Syringetin stimulates osteoblast differentiation at various stages, from maturation to terminally differentiated osteoblasts[1].
Limocitrin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.074 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.078 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.072
3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide
1,3,4,6-tetrahydroxy-5,8-dimethoxy-2-methylanthraquinone|5,8-Di-Me ether-1,3,4,5,6,8-Hexahydroxy-2-methylanthraquinone
1,3,4,5-tetrahydroxy-7,8-dimethoxy-2-methylanthraquinone|5, 6-Di-Me ether-1, 2, 4, 5, 6, 8-Hexahydroxy-3-methylanthraquinone
3-C-beta-D-glucopyranoside-2,4,6-trihydroxymethylbenzoate|methyl 3-C-beta,D-glucopyranoside-2,4,6-trihydroxybenzoate|ulmoside C
18-Bromo-(9Z,17E)-octadeca-9,17-diene-5,7,15-triynoic acid
(13E,17E)-18-Bromo-13,17-octadecadiene-5,7-15-triynoic acid|18-Bromo-(13E,17E)-octadeca-9,17-diene-5,7,15-triynoic acid
(9E,15E)-form-18-Bromo-9,15-octadecadiene-5,7,17-triynoic acid
3,8-Dihydroxy-4,6-dimethoxy-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
(-)-(3ar,3bt,5ac,5bt,10at,12ac)-dodecahydro-[1,2,5,6]tetrathiocino[3,4-a;8,7-a]dipyrrolizine|Cassiporin; 1alpha,1beta,2beta,2alpha-Bis-dithio-di-(7aalpha-pyrrolizidin)|cassipourine
(R)-5-hydroxy-2-methoxy-3-(2,3-dihydro-2-methoxycarbonyl-4-methyl-3-oxofuran-2-yl)-4H-1-benzopyran-4-one
3alphaC-glucopyranosil-4,5-dihydroxy-2-methoxybenzoic acid
methyl 2-(beta-D-glucopyranosyloxy)-4,6-dihydroxybenzoate|methyl 2-O-beta-D-glucopyranosyl-2,4,6-trihydroxybenzoate
(Z)-10-bromo-15-chloro-11,11-dimethyl-7-methylidenespiro[5.5]undec-3(15)-ene-4-one|dendroidone
1,3,5,8-Tetrahydroxy-6,7-dimethoxy-2-methyl-anthrachinon|1,3,5,8-tetrahydroxy-6,7-dimethoxy-2-methylanthraquinone|2,3-Di-Me ether-1,2,3,4,5,7-Hexahydroxy-6-methylanthraquinone
2,6-dihydroxy-5-methoxy-3-(1-C-(1-deoxy-beta-D-glucopyranosyl))benzoic acid
Aflatoxin G2a
1,2,3,6,8-pentahydroxy-7-(1-methoxyethyl)anthracene-9,10-dione
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one
Raclopride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Raclopride is a dopamine D2/D3 receptor antagonist with potential antipsychotic effects. Raclopride binds to D2 and D3 receptors with Kis of 1.8 nM and 3.5 nM, respectively[1][2].
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one
3,5-Pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester
Aflatoxin GM2
3,3-Bisjuglone
5,6,7,8-Tetrahydroxy-3',4'-dimethoxyflavone
Methyl 6-O-galloyl-b-D-glucopyranoside
18-bromo-13E,17E-octadecatrien-5,7,15-triynoic acid
4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
7-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1H-INDOLE-2-CARBOXYLICACID
Olsalazine sodium
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
(5R)-(+)-2,2,3-TRIMETHYL-5-BENZYL-4-IMIDAZOLIDINONE DICHLOROACETIC ACID
c-[4-(3,4-dichloro-benzyl)-morpholin-2-yl]-methylamine dihydrochloride
3,4-bis(2,4,5-trimethylthiophen-3-yl)furan-2,5-dione
1,1,1,2,2,4-Hexafluoro-3-[(1,3,3,4,4,4-hexafluoro-2-butanyl)oxy]b utane
(5S)-(-)-2,2,3-TRIMETHYL-5-BENZYL-4-IMIDAZOLIDINONE DICHLOROACETIC ACID
(6H-DIBENZ[C,E][1,2]OXAPHOSPHORIN-6-YLMETHYL)-P-OXIDE-BUTANEDIOIC ACID
2-CHLORO-2,2-DIFLUORO-1-(4-HYDROXYPIPERIDINO)-1-ETHANONE
4-CHLORO-2-[(PHENYLTHIO)METHYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
4-(5-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZINE HYDROCHLORIDE
9-BROMO-1-BUTOXYBENZO[C][1,6]NAPHTHYRIDIN-6(5H)-ONE
4-(2-TRIFLUOROMETHOXY-BENZENESULFONYL)-PIPERAZINE HYDROCHLORIDE
5-(4-chlorobenzyloxycarbonyl)-4-(trifluoromethyl)pyrimidin-2-yl hydrazine
Ethyl 2-[Bis(2,2,2-Trifluoroethoxy)Phosphoryl]Propanoate
2-Oxo-2-phenylethyl 2-(4-(bromomethyl)phenyl)acetate
2-ETHOXY-5-[(PIPERIDINE-1-CARBONYL)-AMINO]-BENZENESULFONYL CHLORIDE
1-(5-chloro-2-nitrophenyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
Pentamethonium bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist
1-(4-((4-Bromophenyl)sulfonyl)piperazin-1-yl)ethanone
2,2-[1,2-Phenylenebis(oxy)]bis(1,3,2-benzodioxaborole)
1-[3,6-bis(4-chlorophenyl)-1H-1,2,4,5-tetrazin-2-yl]ethanone
Clodantoin
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids C254 - Anti-Infective Agent > C514 - Antifungal Agent
ISOPROPYL 2-(4-CHLORO-6-PHENYLTHIENO[2,3-D]PYRIMIDIN-2-YL)ACETATE
6-Amino-8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-3-quinolineca rbonitrile
2-[3-[[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]disulfanyl]azetidin-1-yl]-4,5-dihydro-1,3-thiazole
(2z)-2-Cyano-N-(2,2-Dichlorobiphenyl-4-Yl)-3-Hydroxybut-2-Enamide
Thiophene-2,5-disulfonic acid 2-amide-5-(4-methyl-benzylamide)
Raclopride C 11
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
Sodium 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate
aflatoxin B1 8,9-dihydrodiol
An aflatoxin B1 compound formed via enzymic epoxidation of aflatoxin B1 followed by non-enzymic hydrolysis.
4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidine
5-bromo-N-[(1,2-dimethyl-5-indolyl)methyl]-2-furancarboxamide
Aflatoxin Q2a
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
1-[N-4-Nitrobenzyl-N-4-carboxybutylamino]methylphosphonic acid
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-YL)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate
1-[(2-Nitrophenyl)sulfonyl]-1H-pyrrolo[3,2-B]pyridine-6-carboxamide
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide
(1s)-1(9-Deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate
3-[(1e,7e)-8-(2,6-Dioxo-1,2,3,6-Tetrahydropyrimidin-4-Yl)-3,6-Dioxa-2,7-Diazaocta-1,7-Dien-1-Yl]benzoic Acid
4-[(1e,7e)-8-(2,6-Dioxo-1,2,3,6-Tetrahydropyrimidin-4-Yl)-3,6-Dioxa-2,7-Diazaocta-1,7-Dien-1-Yl]benzoic Acid
(3e)-5-Fluoro-1-[(6-Fluoro-4h-1,3-Benzodioxin-8-Yl)methyl]-1h-Indole-2,3-Dione 3-Oxime
Warfarin potassium
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
Eupatolitin
Eupatolitin is a tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 3 and 4 and methoxy groups at positions 6 and 7 respectively. It is a tetrahydroxyflavone, a dimethoxyflavone and a member of flavonols. It is functionally related to a flavone. Eupatolitin is a natural product found in Dicoma tomentosa, Haplopappus foliosus, and other organisms with data available. 6-methoxy-7-methylquercetin, also known as eupatoletin, is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, 6-methoxy-7-methylquercetin is considered to be a flavonoid lipid molecule. 6-methoxy-7-methylquercetin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-methoxy-7-methylquercetin can be found in german camomile, which makes 6-methoxy-7-methylquercetin a potential biomarker for the consumption of this food product.
1-(2-carboxylatophenylamino)-1-deoxy-D-ribulose 5-phosphate(3-)
[5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(5-hydroxybenzimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
O3-[2-(trifluoromethyl)benzoyl]-4-chloro-1-methyl-1H-pyrazole-3-carbohydroximamide
4-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
5-bromo-N-[2-(2-methyl-1-indolyl)ethyl]-2-furancarboxamide
4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide
7-chloro-5-(4-fluorophenyl)-4-(1-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
2-[(2-chlorophenyl)methoxy]-N-(4,5-dihydrothiazol-2-yl)benzamide
N-[2-(4-chlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamide
N-(4,5-dithiophen-2-yl-2-thiazolyl)-2-methyl-1-cyclopropanecarboxamide
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3-chlorophenyl)prop-2-enoate
N-[(2,5-dichlorophenyl)methyl]-5-ethyl-1H-indole-2-carboxamide
(2S,3S,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3R,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3R,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3S,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
Cephalexin(1-)
The anion resulting from the removal of a proton from the carboxylic acid group of cephalexin.
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
3-[(Z)-2-(5-chloro-2-hydroxyanilino)-1-nitroethenyl]-3H-2-benzofuran-1-one
(E)-3-(5-bromo-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
5,7-Dihydroxy-2-(1-hydroxy-3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-yl)chromen-4-one
2-hydroxy-3-[3-[(E)-4-hydroxy-3-methylbut-2-enyl]-4-sulooxyphenyl]propanoic acid
2,3-Dihydroxy-3-[3-(3-methylbut-2-enyl)-4-sulooxyphenyl]propanoic acid
Aflatoxin B1 diol
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
N-(5-phosphonato-beta-D-ribosyl)anthranilate
An organophosphate oxoanion resulting from deprotonation of the phosphate and carboxy groups of N-(5-phospho-beta-D-ribosyl)anthranilic acid.
TuMP
A ribonucleoside monophosphate that is tubercidin with a phosphate group replacing the hydrogen on the 5-hydroxy group.
5,7,3,5-tetrahydroxy-3,4-dimethyoxyflavone
A tetrahydroxyflavone that is myricetin in which the hydroxy groups at positions 3 and 4 are replaced by methoxy groups. It has been isolated from Combretum quadrangulare.
(+)-taxifolin 3-O-acetate
An acetate ester obtained by formal condensation between the 3-hydroxy group of (+)-taxifolin and acetic acid.
IMP(2-)
A nucleoside 5-monophosphate(2-) that results from the removal of two protons from the phosphate group of IMP; major species at pH 7.3.
1-(2-carboxylatophenylamino)-1-deoxy-D-ribulose 5-phosphate(3-)
An organophosphate oxoanion resulting from the removal of a total of three protons from the phosphate and carboxy groups of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate.
JNJ-42041935
JNJ-42041935 is a potent, competitive and selective inhibitor of prolyl hydroxylase PHD; inhibits PHD1, PHD2, and PHD3 with pKi values of 7.91±0.04, 7.29 ±0.05, and 7.65±0.09, respectively.
(1s,3r,5s,7s,8s)-10-bromo-8-chloro-7,11,11-trimethyl-3-(prop-1-en-2-yl)-4,6-dioxatricyclo[5.4.0.0¹,⁵]undec-9-ene
(2s,6'r)-3'-bromo-4-methyl-6'-(methylamino)-2'-azaspiro[furan-2,7'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),3',8'(12'),9'-tetraen-5-one
3-{[4-(3,8-dihydroxy-1,4-dioxonaphthalen-2-yl)but-3-en-1-yl]oxy}-3-oxopropanoic acid
(2s)-6-hydroxy-4,7'-dimethyl-6'-oxaspiro[1-benzofuran-2,2'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),4',7',9',11'-pentaene-3,3'-dione
methyl 3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
(9e,17e)-18-bromooctadeca-9,17-dien-5,7,15-triynoic acid
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
(12r)-5-chloro-6,8-dihydroxy-12-methyl-11-oxatricyclo[12.4.0.0⁴,⁹]octadeca-1(18),4,6,8,14,16-hexaene-2,10-dione
2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one
3,7,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one
2,3,12,13-tetrathia-9,16-diazapentacyclo[12.6.0.0⁴,¹¹.0⁵,⁹.0¹⁶,²⁰]icosane
2-(2,6-dihydroxyphenyl)-5,6-dihydroxy-7,8-dimethoxychromen-4-one
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-3,6-dimethoxychromen-4-one
methyl 3,8-dihydroxy-4,6-dimethoxy-9-oxoxanthene-1-carboxylate
5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenoxy)-6-methoxychromen-4-one
6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-hydroxypyran-2-one
5,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one
2-(2,3-dihydroxyphenyl)-n-hydroxy-n-[2-(3h-imidazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
3',5,5',7-tetrahydroxy-2',8-dimethoxyflavone
{"Ingredient_id": "HBIN007540","Ingredient_name": "3',5,5',7-tetrahydroxy-2',8-dimethoxyflavone","Alias": "NA","Ingredient_formula": "C17H14O8","Ingredient_Smile": "NA","Ingredient_weight": "346.293","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8270","PubChem_id": "NA","DrugBank_id": "NA"}
4-O-beta-D-Glucopyranosyl methyl gallate
{"Ingredient_id": "HBIN010747","Ingredient_name": "4-O-beta-D-Glucopyranosyl methyl gallate","Alias": "3,5-Dihydroxy-4-(beta-D-glucopyranosyloxy)benzoic acid methyl ester; methyl 3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzoate; methyl 3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate; 4-o-beta-d-glucopyranosyl methyl gallate; 4-o-\u03b2-d-glucopyranosyl methyl gallate; methyl 3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate; CHEMBL485255; 3,5-dihydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzoic acid methyl ester; 3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzoic acid methyl ester; AC1NSVXX","Ingredient_formula": "C14H18O10","Ingredient_Smile": "COC(=O)C1=CC(=C(C(=C1)O)OC2C(C(C(C(O2)CO)O)O)O)O","Ingredient_weight": "346.29 g/mol","OB_score": "17.35761295","CAS_id": "NA","SymMap_id": "SMIT06432;SMIT18930","TCMID_id": "25680;8681","TCMSP_id": "MOL004518","TCM_ID_id": "NA","PubChem_id": "5317705","DrugBank_id": "NA"}
5,7,2,5-tetrahydroxy-8,6-dimethoxyflavone
{"Ingredient_id": "HBIN011163","Ingredient_name": "5,7,2,5-tetrahydroxy-8,6-dimethoxyflavone","Alias": "NA","Ingredient_formula": "C17H14O8","Ingredient_Smile": "NA","Ingredient_weight": "376.34","OB_score": "33.81582599","CAS_id": "NA","SymMap_id": "SMIT01177","TCMID_id": "NA","TCMSP_id": "MOL002909","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,3′,4′-Tetrahydroxy-6,5′-dimethoxyflavone
{"Ingredient_id": "HBIN011181","Ingredient_name": "5,7,3\u2032,4\u2032-Tetrahydroxy-6,5\u2032-dimethoxyflavone","Alias": "NA","Ingredient_formula": "C17H14O8","Ingredient_Smile": "COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41033","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bergenin monohydrate
{"Ingredient_id": "HBIN017922","Ingredient_name": "bergenin monohydrate ","Alias": "NA","Ingredient_formula": "C14H18O10","Ingredient_Smile": "COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O.O","Ingredient_weight": "346.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19499","PubChem_id": "201412","DrugBank_id": "NA"}
