Exact Mass: 346.0972
Exact Mass Matches: 346.0972
Found 500 metabolites which its exact mass value is equals to given mass value 346.0972,
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.
Nifedipine
Nifedipine has been formulated as both a long- and short-acting 1,4-dihydropyridine calcium channel blocker. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, nifedipine prevents calcium-dependent myocyte contraction and vasoconstriction. A second proposed mechanism for the drugs vasodilatory effects involves pH-dependent inhibition of calcium influx via inhibition of smooth muscle carbonic anhydrase. Nifedipine is used to treat hypertension and chronic stable angina. C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
ORYZALIN
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3099 CONFIDENCE standard compound; INTERNAL_ID 2333 CONFIDENCE standard compound; INTERNAL_ID 8465
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].
Miraxanthin V
Reduced-(S)-usnate
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
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].
9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one
9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one is found in fruits. 9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) Constituent of Musa acuminata (dwarf banana). 9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one is found in fruits.
Muscomin
Muscomin is found in herbs and spices. Muscomin is isolated from Muscari comosum (tassel hyacinth). Isolated from Muscari comosum (tassel hyacinth). Muscomin is found in herbs and spices.
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.
meta-O-Dealkylated flecainide lactam
meta-O-Dealkylated flecainide lactam is a metabolite of flecainide. Flecainide acetate is a class Ic antiarrhythmic agent used to prevent and treat tachyarrhythmias (abnormal fast rhythms of the heart). It is used to treat a variety of cardiac arrhythmias including paroxysmal atrial fibrillation (episodic irregular heartbeat originating in the upper chamber of the heart), paroxysmal supraventricular tachycardia (episodic rapid but regular heartbeat originating in the atrium), and ventricular tachycardia (rapid rhythms of the lower chambers of the heart). (Wikipedia)
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)
Hydroxydehydro Nifedipine Carboxylate
M-Nifedipine
2,6-Dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
o-Cresolphthalein
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D010635 - Phenolphthaleins
Raclopride
Tenatoprazole
2,6-Dihydroxy-4,3-dimethoxy-4,5-methylenedioxydihydrochalcone
Inumakilactone B
A diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1).
3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide
(+)-(5R,6R)-5-cyano-5-beta-D-glucopyranosyloxy-6-hydroxy-4-methoxy-1-methyl-5,6-dihydro-2-pyridone|epiacalyphin
(9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate
1,2,3,6,8-pentamethoxy xanthone|1,2,3,6,8-pentamethoxy-xanthen-9-one|1.3.6.7.8-Pentamethoxyxanthon
methyl 5-((2E)-1-hydroxy-3-phenylprop-2-enylidene)-2,3-dimethoxy-4-oxocyclopent-2-enecarboxylate|stigmahamone II
3-C-beta-D-glucopyranoside-2,4,6-trihydroxymethylbenzoate|methyl 3-C-beta,D-glucopyranoside-2,4,6-trihydroxybenzoate|ulmoside C
2-(3-hydroxy-3-methylbutyl)-1,3,5,6-tetrahydroxyxanthone
methyl 4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoate
2,2-(Oxydimethylene)bis[6-hydroxy-3,5-dimethyl-p-benzoquinone]
Ventiloquinone B|ventiloquinone-B|ventiloquinone-M dimethyl ether
6,7-Dimethoxy-8-(1-acetoxy-3-methyl-2-oxo-3-butenyl)-2H-1-benzopyran-2-one
3alphaC-glucopyranosil-4,5-dihydroxy-2-methoxybenzoic acid
1-[(4-Hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol
methyl 2-(beta-D-glucopyranosyloxy)-4,6-dihydroxybenzoate|methyl 2-O-beta-D-glucopyranosyl-2,4,6-trihydroxybenzoate
3,5-Dihydroxy-2-(3,4-dimethoxyphenyl)-7-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
rel-(1aR,2R,3R,7bS)-1a,2,3,7b-tetrahydro-2,3-dihydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-7H-oxireno[f][1]benzopyran-7-one
(3S)-3,5,7-trihydroxyl-6-methyl-8-methoxyl-3-(4-hydroxylbenzyl)chroman-4-one|polygonatone B
(3R)-7-hydroxy-6,2,3-trimethoxyisoflavan-1,4-quinone
3?,7-dimethoxy-8-methyl-4?,5,7-trihydroxyflavanone
3?,4?-dimethoxy-8-methyl-5,6,7-trihydroxyflavanone
methyl 2-((2R,3R,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-yl)acetate
(2S,3R)-methyl 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzofuran-5-carboxylate|norcurlignan
(3R)-8-hydroxy-7,4?6-trimethoxyisoflavan-2,5-quinone|abruquinone I
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
4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoic acid
2-O-Ac-(R)-Heraclenol|8-(2-acetoxy-3-hydroxy-3-methylbutoxy)psoralen|9-(2-acetoxy-3-hydroxy-3-methyl-butoxy)-furo[3,2-g]chromen-7-one|Heraclenol-monoacetat
2,6-dihydroxy-5-methoxy-3-(1-C-(1-deoxy-beta-D-glucopyranosyl))benzoic acid
2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran-5-carboxylic acid
Aflatoxin G2a
cremastranone
A homoisoflavonoid that is 2,3-dihydro-4H-chromen-4-onethat is substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 6, and a 3-hydroxy-4-methoxybenzyl group at position 3. It has been isolated from various plants, including the bulb of Cremastra appendiculata.
2-O-acetyloxypeucedanin hydrate|oxypeucedanin hydrate 2-monoacetate
1,2,3,6,8-pentahydroxy-7-(1-methoxyethyl)anthracene-9,10-dione
(3S)-3-(3,4-dihydroxybenzyl)-5-hydroxy-6,7-dimethoxychroman-4-one|scillavone B
BChE-IN-11
1-[(4-Hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol is a natural product found in Bletilla formosana, Gymnadenia conopsea, and Bletilla striata with data available.
PSQNZFFDWLQECV-UHFFFAOYSA-N
5,3-Dihydroxy-6,7,4-trimethoxyflavanone is a natural product found in Vitex rotundifolia with data available.
nifedipine
C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate
4-(2,4-dihydroxy-3,5-dimethylbenzoyl)oxy-2-hydroxy-3,5-dimethylbenzoic acid
6,7-dihydroxy-5-[3-hydroxy-2-(methoxymethyl)-5-methylphenoxy]-4-methyl-3H-2-benzofuran-1-one
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate
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].
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate_major
3,5-Pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester
Aflatoxin GM2
9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one
5,6,7,8-Tetrahydroxy-3',4'-dimethoxyflavone
Methyl 6-O-galloyl-b-D-glucopyranoside
ethyl 2-amino-3-nitro-4-thiophen-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
(5R)-(+)-2,2,3-TRIMETHYL-5-BENZYL-4-IMIDAZOLIDINONE DICHLOROACETIC ACID
Methyl 4,5-diacetoxy-8-methoxy-6-methyl-2-naphthoate
3,4-bis(2,4,5-trimethylthiophen-3-yl)furan-2,5-dione
Methyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzoate
2,5-Cyclohexadiene-1,4-dione,1,4-bis(O-benzoyloxime)
(5S)-(-)-2,2,3-TRIMETHYL-5-BENZYL-4-IMIDAZOLIDINONE DICHLOROACETIC ACID
Vatalanib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
2-ETHOXY-5-[(PIPERIDINE-1-CARBONYL)-AMINO]-BENZENESULFONYL CHLORIDE
1-(5-chloro-2-nitrophenyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
2,2-[1,2-Phenylenebis(oxy)]bis(1,3,2-benzodioxaborole)
Tenatoprazole
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
[3-[[(2,4,6-trimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl]boronic acid
spermine tetrahydrochloride
Spermine tetrahydrochloride is an endogenous metabolite. Spermine tetrahydrochloride is an endogenous metabolite.
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
3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
Sodium 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate
Alloclamide hydrochloride
C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol
aflatoxin B1 8,9-dihydrodiol
An aflatoxin B1 compound formed via enzymic epoxidation of aflatoxin B1 followed by non-enzymic hydrolysis.
3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone
4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidine
4-[[[2-(4-Fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
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
(2R)-2-{[(4-Fluoro-3-methylphenyl)sulfonyl]amino}-N-hydroxy-2-tetrahydro-2H-pyran-4-ylacetamide
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
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-[4-[4-(4-Chloro-2-hydroxy-phenoxy)phenyl]piperazin-1-yl]ethanone
meta-O-Dealkylated flecainide lactam
meta-O-Dealkylated flecainide lactam is a metabolite of flecainide. Flecainide acetate is a class Ic antiarrhythmic agent used to prevent and treat tachyarrhythmias (abnormal fast rhythms of the heart). It is used to treat a variety of cardiac arrhythmias including paroxysmal atrial fibrillation (episodic irregular heartbeat originating in the upper chamber of the heart), paroxysmal supraventricular tachycardia (episodic rapid but regular heartbeat originating in the atrium), and ventricular tachycardia (rapid rhythms of the lower chambers of the heart). (Wikipedia)
(S,E)-4-(2-((3,4-Dihydroxyphenethyl)imino)ethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one
2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
4-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
6-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
(E)-2-cyano-3-(1-methylindol-3-yl)-N-(3-nitrophenyl)prop-2-enamide
4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide
2-Phenoxyacetic acid (2-oxo-1,2-diphenylethyl) ester
N-(3-fluorophenyl)-2-(9-oxo-10-acridinyl)acetamide
2-(1-Ethoxycarbonyl-4-piperidinyl)-1,3-dioxo-5-isoindolecarboxylic acid
7-chloro-5-(4-fluorophenyl)-4-(1-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
4-[2-(3,4-Dimethoxyphenyl)ethylamino]-3-nitrobenzoic acid
5-[Anilino(oxo)methyl]-4-methyl-2-(1-oxopropylamino)-3-thiophenecarboxylic acid methyl ester
6-(3-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
(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.
(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one
(4E)-6-carboxy-4-[2-[2-(3,4-dihydroxyphenyl)ethylazaniumylidene]ethylidene]-2,3-dihydro-1H-pyridine-2-carboxylate
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
4-(2,4-Dihydroxy-3,5-dimethylbenzoyl)oxy-2-hydroxy-3,5-dimethylbenzoic acid
6,7-dihydroxy-5-[3-hydroxy-2-(methoxymethyl)-5-methylphenoxy]-4-methyl-3H-2-benzofuran-1-one
Aflatoxin B1 diol
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
2,6-Dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
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.
NPEC-caged-dopamine
NPEC-caged-dopamine is a caged version of dopamine. NPEC-caged-Dopamine was used by applying focal photolysis with UV light (360 nm) to releases dopamine, which leads to D1 receptor activation[1].
4-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-methoxy-6-methylbenzoic acid
2-(3,4-dihydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydro-1-benzopyran-4-one
3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl acetate
(2s)-5-hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one
methyl 3-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-5-methoxybenzoate
(2r)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-2,3-dihydro-1-benzopyran-4-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
5,7-dihydroxy-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
(3s)-3-(2,6-dimethoxyphenyl)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-3h-2-benzofuran-1-one
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-2,3-dihydro-1-benzopyran-4-one
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-(2,6-dihydroxyphenyl)-5,6-dihydroxy-7,8-dimethoxychromen-4-one
11,17-dimethoxy-4,6-dimethyl-5,13,15-trioxatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),3(8),11,16-tetraene-2,9-dione
1-(6,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobut-3-en-1-yl acetate
(3r)-3-{6-[(2r)-2-hydroxypropyl]-4-oxopyran-3-yl}-4,6-dimethoxy-3h-2-benzofuran-1-one
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-3,6-dimethoxychromen-4-one
(3s)-5,7-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-2,3-dihydro-1-benzopyran-4-one
methyl 3,8-dihydroxy-4,6-dimethoxy-9-oxoxanthene-1-carboxylate
3-[(3,4-dihydroxyphenyl)methyl]-5-hydroxy-6,7-dimethoxy-2,3-dihydro-1-benzopyran-4-one
5,7-dihydroxy-2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
(1s,2r,4r,5r,10s,11r,13s,14r,15r,18r)-5-ethenyl-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(2s)-5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,3-dihydro-1-benzopyran-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
(3s)-5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,3-dihydro-1-benzopyran-4-one
1-p-hydroxybenzyl-4-methoxyphenanthrene-2,7-diol
{"Ingredient_id": "HBIN002990","Ingredient_name": "1-p-hydroxybenzyl-4-methoxyphenanthrene-2,7-diol","Alias": "NA","Ingredient_formula": "C22H18O4","Ingredient_Smile": "COC1=CC(=C(C2=C1C3=C(C=C2)C=C(C=C3)O)CC4=CC=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9847","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydro-7-o-demethylrobustigenin
{"Ingredient_id": "HBIN004016","Ingredient_name": "2,3-dihydro-7-o-demethylrobustigenin","Alias": "NA","Ingredient_formula": "C18H18O7","Ingredient_Smile": "NA","Ingredient_weight": "346.336","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8948","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-5,2'-dihydroxy-7,4',5'-trimethoxyflavanone
{"Ingredient_id": "HBIN006752","Ingredient_name": "(2s)-5,2'-dihydroxy-7,4',5'-trimethoxyflavanone","Alias": "NA","Ingredient_formula": "C18H18O7","Ingredient_Smile": "COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3O)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6158","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
