Exact Mass: 343.0991
Exact Mass Matches: 343.0991
Found 415 metabolites which its exact mass value is equals to given mass value 343.0991,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
DIBOA-Glc
Isolated from seedlings of rye (Secale cereale), and sweet corn (Zea mays) and seeds of Acanthus mollis. DIBOA-Glc is found in many foods, some of which are rye, fats and oils, corn, and cereals and cereal products. DIBOA-Glc is found in cereals and cereal products. DIBOA-Glc is isolated from seedlings of rye (Secale cereale), and sweet corn (Zea mays) and seeds of Acanthus mollis.
Violacein
A member of the class of hydroxyindoles resulting from the formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 5-hydroxy-1H-indol-3-yl group, where the newly-formed double bond has E configuration. It is a purple chromobacterial pigment that has antibacterial, antifungal, antiprotozoan, and anticancer properties.
Niazinin
Niazinin is a glucosinolate and a naturally occurring thiocarbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers of niazinin (niazinin A and niazinin B, respectively) differ in the orientation of the NH group with respect to sulfur. Niazinin is a natural product found in Moringa oleifera with data available.
Caffeoyl tyrosine
Caffeoyl tyrosine is a constituent of cocoa flowers and robusta coffee beans [CCD]
N-(1-Deoxy-1-fructosyl)tyrosine
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)tyrosine is classified as a Natural Food Constituent (code WA) in the DFC.
N-trans-Feruloyl-4-O-methyldopamine
N-trans-Feruloyl-4-O-methyldopamine is found in cereals and cereal products. N-trans-Feruloyl-4-O-methyldopamine is an alkaloid from roots of the pseudocereal Chenopodium album (lambsquarters). Alkaloid from roots of the pseudocereal Chenopodium album (lambsquarters). N-trans-Feruloyl-4-O-methyldopamine is found in cereals and cereal products.
DHBOA-Glc
Constituent of the roots of Coix lachryma-jobi (Jobs tears). (R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in tea, alcoholic beverages, and coffee and coffee products. DHBOA-Glc is found in alcoholic beverages. DHBOA-Glc is a constituent of the roots of Coix lachryma-jobi (Jobs tears).
p-Coumaroyl 3-hydroxytyrosine
p-Coumaroyl 3-hydroxytyrosine is a constituent of the bark of Dalbergia melanoxylon [CCD]
Avenanthramide 1s
Avenanthramide 1s is a polyphenol compound found in foods of plant origin (PMID: 20428313)
O-Desmethylindomethacin
O-Desmethylindomethacin is a metaboite of Indomethacin. Indomethacin is metabolized in humans by O-demethylation, and by acyl glucuronidation to the 1-O-glucuronide. Indomethacin and O-desmethylindomethacin may be glucuronidated in the kidney. Probenecid is a known substrate for renal glucuronidation. If indomethacin is glucuronidated in the human kidney like probenecid, then this glucuronidation might be reduced or inhibited under probenecid co-medication. (PMID: 8156046)
N-desmethylrosiglitazone
N-desmethylrosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)
HHPAA glucuronide
2-Hydroxy-N-(2-hydroxyphenyl)acetamide glucuronide (HHPAA glucuronide) is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 23681766).
Rabeprazole thioether
7-Hydroxyloxapine
8-Hydroxyloxapine
Clothiapine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Clothiapine, an atypical antipsychotic agent, shares with clozapine its strong antiserotonergic properties[1].
N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
D009676 - Noxae > D011042 - Poisons D007155 - Immunologic Factors
TRIMETHYLCOLCHICINIC ACID
Violacein
Phospholipase
Phospholipase is a member of the class of compounds known as sulfanilides. Sulfanilides are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. Phospholipase is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phospholipase can be found in potato, which makes phospholipase a potential biomarker for the consumption of this food product. A phospholipase is an enzyme that hydrolyzes phospholipids into fatty acids and other lipophilic substances. There are four major classes, termed A, B, C and D, distinguished by the type of reaction which they catalyze: Phospholipase A Phospholipase A1 – cleaves the SN-1 acyl chain . Phospholipase is a member of the class of compounds known as sulfanilides. Sulfanilides are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. Phospholipase is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phospholipase can be found in potato, which makes phospholipase a potential biomarker for the consumption of this food product. A phospholipase is an enzyme that hydrolyzes phospholipids into fatty acids and other lipophilic substances. There are four major classes, termed A, B, C and D, distinguished by the type of reaction which they catalyze: Phospholipase A Phospholipase A1 Рcleaves the SN-1 acyl chain .
4-coumaroyl-3',4'-dihydroxyphenyllactate
4-coumaroyl-3,4-dihydroxyphenyllactate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4-coumaroyl-3,4-dihydroxyphenyllactate can be found in a number of food items such as moth bean, pepper (c. chinense), pomes, and common chokecherry, which makes 4-coumaroyl-3,4-dihydroxyphenyllactate a potential biomarker for the consumption of these food products.
caffeoyl-4'-hydroxyphenyllactate
Caffeoyl-4-hydroxyphenyllactate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Caffeoyl-4-hydroxyphenyllactate can be found in a number of food items such as purple mangosteen, spirulina, lemon grass, and soy bean, which makes caffeoyl-4-hydroxyphenyllactate a potential biomarker for the consumption of these food products.
sinapoyltyramine
Sinapoyltyramine belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Sinapoyltyramine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sinapoyltyramine can be found in a number of food items such as komatsuna, common mushroom, pomes, and chickpea, which makes sinapoyltyramine a potential biomarker for the consumption of these food products.
DHBOA hexose
N-trans-Feruloyl-3-methoxytyramine
A natural product found in Arcangelisia gusanlung.
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
pestalamide A
A pyranone that is (2S)-2-methyl-4-oxo-4-{[(4-oxo-4H-pyran-3-yl)carbonyl]amino}butanoic acid substituted by a benzyl group at position 6. It has been isolated from Aspergillus niger.
4-O-(1-beta-glucopyranosyl)tyrosine|O-beta-D-Glucopyranosyl-L-tyrosin|O-beta-D-glucopyranosyl-L-tyrosine
N-trans-feruloyl-4-O-methyldopamine|N-trans-isoferuloyl 4-O-methyldopamine
S-methyl-N-{[4-(alpha-L-rhamnosyloxy)benzyl]}thiocarbamate
(2R)-2-O-beta-D-glucopyranosyl-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one|(2R)-2-O-??-D-Glucopyranosyl-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one
2-(3a-methyl-1,3-dioxo-octahydro-4,7-epioxido-isoindol-2-yl)-3-phenyl-propionic acid methyl ester
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-methoxyethyl]acrylamide
4,6,7-Trimethoxy-5-(2-hydroxy-3-methyl-3-butenyl)furo[2,3-b]quinoline
Tensidol B
A furopyrrole that is tensidol A in which the hydroxy group attached to the pyrrole ring has been acylated by formal condensation with the 4-carboxy group of 2-methylbutanedioic acid.
(-)-(1Z)-[(4R,5S,6S)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-4-methoxycyclohex-2-en-1-yliden]acetonitrile|(-)-bauhinin|bauhinin
3-[[4-(1H-Indol-3-yl)-5-oxo-1,5-dihydro-2H-pyrrol]-2-ylidene]-5-hydroxy-1,3-dihydro-2H-indol-2-one
N-[2-(3-hydroxy-4-methoxyphenyl)-2-hydroxyethyl]-3-(4-methoxyphenyl)prop-2-enamide
Alkaloid LA 6|p-Hydroxy-beta-phenethyl 5-ethyl-3-methoxycarbonyl-4-pyridinylacetate
bromopride
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Bromopride is a dopamine antagonist with prokinetic properties, widely used as an antiemetic.
Caulophine
Caulophine is a member of the class of fluoren-9-ones that is 9H-fluoren-9-one substituted by 2-(dimethylamino)ethyl group at position 3, hydroxy groups at positions 4 and 5 and two methoxy groups at positions 1 and 6 respectively. It is isolated from the radix of Caulophyllum robustum and exhibits anti-myocardial ischemia activity. It has a role as a metabolite and a cardiovascular drug. It is a member of fluoren-9-ones, a tertiary amino compound, a polyphenol, an aromatic ether and an alkaloid. A member of the class of fluoren-9-ones that is 9H-fluoren-9-one substituted by 2-(dimethylamino)ethyl group at position 3, hydroxy groups at positions 4 and 5 and two methoxy groups at positions 1 and 6 respectively. It is isolated from the radix of Caulophyllum robustum and exhibits anti-myocardial ischemia activity.
(-)-N-[4-Hydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine
C14H17NO9_(2S)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
p-Coumaroyl 3-hydroxytyrosine
N-trans-Feruloyl-4-O-methyldopamine
phenyl [1-(N-succinylamino)pentyl]phosphonate
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyethyl nitrate
1-Boc-4-(6-Chloro-5-nitro-4-pyrimidinyl)piperazine
Picoprazole
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
N-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
N-pyridin-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
6-amino-4-(2-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
3-(2,4-DIPHENYL-5-METHYLTHIO-2H-PYRAZOL-3-YL)PYRIDINE
tert-butyl 4-(4-fluorophenyl)sulfonylpiperidine-1-carboxylate
4 5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE METHANESULFONATE
6-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-2,3-diol,hydrobromide
[2-(Benzothiazole-2-sulfonylamino)-ethylamino]-acetic acid ethyl ester
3-CHLORO-4-(PIPERIDINE-1-CARBONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
((2R,3S)-3-((Benzyloxy)methyl)oxiran-2-yl)methyl 4-nitrobenzoate
1,2-NAPHTHALENEDIOL, 6-(DIPROPYLAMINO)-5,6,7,8-TETRAHYDRO-, HYDROBROMIDE
2-[6,7-DIMETHOXY-2-(METHYLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]ACETOHYDRAZIDE
6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
3-(1,4-DIPHENYL-5-METHYLTHIO-1H-PYRAZOL-3-YL)PYRIDINE
(E)-ethyl 3-(cyclopropylamino)-2-(2,4,5- trifluoro-3-methoxybenzoyl)acrylate
tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate
4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline
Moxaverine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]benzenesulphonamide
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, N,N-dimethyl-1-[(phenylmethyl)sulfonyl]-
3-(4-FLUORO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-Methoxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b] quinoline
N-(3-NITRO-2-PYRIDINESULFENYL)-L-ASPARTIC ACID BETA-T-BUTYL ESTER
TERT-BUTYL 7-METHYL-5-OXO-8-(TRIFLUOROMETHYL)-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-1-CARBOXYLATE
4-({4-[(4-Formyl-2,6-dimethylphenyl)amino]-2-pyrimidinyl}amino)be nzonitrile
N,N-dimethyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-7-sulfonamide
1-(3-chlorophenyl)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)urea
8-hydroxyquinoline-beta-d-glucuronic acid, sodium salt
2-Mehtyl-6-[bis(tert-butoxycarbonyl)amino]-4-chloropyrimidine
ALLYL [3-(2-NITROBENZENESULFONAMIDO)PROPYL]CARBAMATE
2-Methyl-2-propanyl 3-(3-aminophenyl)-4-chloro-1H-pyrrolo[2,3-b]p yridine-1-carboxylate
N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)benzamide
m-3M3FBS
m-3M3FBS is a potent phospholipase C (PLC) activator. m-3M3FBS stimulates superoxide generation in human neutrophils, upregulates intracellular calcium concentration, and stimulates inositol phosphate generation in various cell lines. m-3M3FBS induces monocytic leukemia cell apoptosis[1][2][3].
Methyl 3-(4-Methyl-3-nitro-N-(pyridin-2-yl)benzamido)propanoate
[(2S,3S)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate
2-chloro-4-(biphenyl-3-yl)-6-phenyl-1,3,5-triazine
2-chloro-4-(biphenyl-4-yl)-6-phenyl-1,3,5-triazine
4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide
2-[1,1-Biphenyl]-2-yl-4-chloro-6-phenyl-1,3,5-triazine
N-[(2S)-2-[[(Methylsulfonyl)oxy]methyl]-1-oxo-3-phenylpropyl]-glycine ethyl ester
N-trans-Sinapoyltyramine
A natural product found in Piper boehmeriaefolium.
N-(1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-chloronicotinamide
ethyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate
1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione,formaldehyde,N-methylbenzenesulfonamide
4(3H)-Quinazolinone,7-amino-3-(4-chlorophenyl)-8-methoxy-2-(1-methylethyl)-
7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
3-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
SKF 83822 is an atypical agonist of dopamine D1 receptor. SKF 83822 activates adenylyl cyclase (AC), but not phospholipase C (PLC). SKF 83822 is also proved to stimulate AC via cAMP production. SKF 83822 can be used for research of schizophrenia[1][2].
1-(3-Nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
4-[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine
3-[3-(1,3-Dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid
1-(Phenylmethyl)-2-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3-indole]one
N-Methyl-N-[3-(6-phenyl[1,2,4]triazolo[4,3-B]pyridazin-3-YL)phenyl]acetamide
8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9H-purin-6-ylamine
2,2-{[9-(Hydroxyimino)-9H-fluorene-2,7-diyl]bis(oxy)}diacetic acid
Clotiapine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Clothiapine, an atypical antipsychotic agent, shares with clozapine its strong antiserotonergic properties[1].
Thiamine phosphate
D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S)-6-carboxy-4-[(E)-2-(5,6-dihydroxy-2,3-dihydroindol-1-yl)ethenyl]-2,3-dihydropyridine-2-carboxylate
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxyphenyl)propanoate
3-(3,4-dihydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanoate
1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetic acid
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
1-(4-Phenoxyphenyl)tetrahydro-1H-thieno[3,4-b]pyrrol-2(3H)-one 5,5-dioxide
4-fluoro-N-[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]benzamide
4-oxo-N-(7-quinolinylmethylideneamino)-1H-quinazoline-2-carboxamide
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
1-[[(2-Methyl-3-furanyl)-oxomethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea
2-chloro-4-methyl-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
1-(2,4-Difluorophenyl)-3-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
3-(4-Methoxyphenyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]propanoic acid
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
3-amino-N-cyclopentyl-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarboxamide
2-(3-amino-3-oxopropyl)-3-(4-chlorobenzoyl)-2H-indazole 1-oxide
(5Z)-3-(2-methylpropyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
ethyl 4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)piperazine-1-carboxylate
1-(2-Chlorophenyl)-3-[4-(1-piperidinylmethyl)phenyl]urea
(2E)-3-[(4-methoxyphenyl)amino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
8-(1-Piperidinylsulfonyl)-6-pyrido[1,2-a]quinazolinone
N-(6-Methyl-2-p-tolyl-2H-benzotriazol-5-yl)-nicotinamide
(E)-N-(2-methoxydibenzofuran-3-yl)-3-phenylprop-2-enamide
2-Chloro-8-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone
6-[4-(2-methoxyanilino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
3,5-Dihydroxy-3,4,7-trimethoxyflavone(1-)
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3,5-dihydroxy-3,4,7-trimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
6-[[[1-(4-Propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]-1,3,5-triazine-2,4-diamine
N-[3-(1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl]acetamide
1-(Benzyloxy)-3-(diethoxyphosphinyl)-5-hydroxypyrrolidine-2-one
2-Chloro-6-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone
3-[2-(4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid ethyl ester
6-Methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]quinazolin-4-ol
4-Chloro-5-morpholin-4-yl-2-quinoxalin-2-ylpyridazin-3-one
N-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide
(E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-dihydro-2(3H)-furanone
N-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
4-Methyl-3-nitrobenzoic acid [[1-amino-2-(2-methoxyphenyl)ethylidene]amino] ester
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
N(2)-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]-N-butyl-L-serinamide
Desulfogluconasturtiin
A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-phenylpropanethioamide with beta-D-glucopyranose.
1-S-[N-hydroxy-4-(methanesulfinyl)butanimidoyl]-1-thio-beta-D-glucopyranose
2-(1-Aminoethenyl)-4-(3-phenylphenyl)thieno[2,3-c]pyridin-7-amine
N-[(Z)-(2-Phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide
(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
2-Amino-3-[2,3-diacetyloxypropoxy(hydroxy)phosphoryl]oxypropanoic acid
2-Amino-3-[hydroxy-(2-hydroxy-3-pentanoyloxypropoxy)phosphoryl]oxypropanoic acid
(1R)-1-[3-Hydroxy-4-methoxybenzyl]-2-formyl-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
D009676 - Noxae > D011042 - Poisons D007155 - Immunologic Factors
N-trans-feruloyl-4-O-methyldopamine
A member of the class of cinnamamides that is an enamide obtained by the formal condensation of ferulic acid with 4-O-methyldopamine. It has been isolated from Pisonia aculeata.
desulfoglucoiberin
A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-(methylsulfinyl)butanethioamide with beta-D-glucopyranose.
thiamine(1+) monophosphate(2-)
An organophosphate oxoanion that is the conjugate base of thiamine(1+) monophosphate(1-), arising from the deprotonation of the phosphate group. Major microspecies at pH 7.3.
A-841720
A-841720 is a potent, non-competitive and selective mGlu1 receptor antagonist with an IC50 of 10 nM for human mGlu1 receptor. A-841720 displays 34-fold selectivity over mGlu5 (IC50 of 342 nM), and no significant activity at a range of other neurotransmitter receptors, ion channels, and transporters. A-841720 has the potential for chronic pain research[1][2].
6-{2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl}-2,3-dihydroxybenzoic acid
5-(2-phenylethyl)-9h-[1,3]dioxolo[4,5-j]phenanthridin-6-one
2-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
(2s,3r,4s,5s,6r)-2-{[(2s)-3,6-dihydroxy-2h-1,4-benzoxazin-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-{3-[(2-hydroxyphenyl)methyl]-1h-indole-2-carbonyl}phenol
5-hydroxy-3-(6-hydroxy-1h-indol-3-yl)-4-(1h-indol-3-yl)pyrrol-2-one
5-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-2,4-dimethyl-5-oxopent-3-enoic acid
3-[(6-benzyl-4-oxopyran-3-carbonyl)-c-hydroxycarbonimidoyl]-2-methylpropanoic acid
n-[2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enimidic acid
10-acetyl-4-(1-aminoethylidene)-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),6,10,12-tetraene-3,5-dione
(1s,13r,15s,18s)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-yl acetate
n-[(2r)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-4-(4-hydroxy-3-methoxyphenyl)but-2-enimidic acid
3-{5-hydroxy-4-[(3e)-2-hydroxyindol-3-ylidene]pyrrol-2-yl}-1h-indol-5-ol
3-(3,4-dihydroxyphenyl)-2-{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}propanoic acid
(1s,18r,19r)-18-hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraene-11,12-dione
n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid
3-(4-hydroxy-3-methoxyphenyl)-n-[2-(4-hydroxyphenyl)-2-methoxyethyl]prop-2-enimidic acid
2-{[(2r)-2-carboxy-2-[(1-oxido-3,4,5,6-tetrahydropyridin-1-ium-2-yl)amino]ethyl]disulfanyl}pyridin-1-ium-1-olate
2-[(1z,4r,5s,6s)-5-hydroxy-4-methoxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
n-({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)methylsulfanylcarboximidic acid
n-[(4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methylsulfanylcarboximidic acid
11-o-acetylhaemanthamine
{"Ingredient_id": "HBIN000477","Ingredient_name": "11-o-acetylhaemanthamine","Alias": "NA","Ingredient_formula": "C19H21NO5","Ingredient_Smile": "CC(=O)OC1CN2CC3=CC4=C(C=C3C15C2CC(C=C5)OC)OCO4","Ingredient_weight": "343.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100958260","DrugBank_id": "NA"}
2,4-dihydroxy-1,4-benzoxazin-3-one-2-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN004312","Ingredient_name": "2,4-dihydroxy-1,4-benzoxazin-3-one-2-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C14H17NO9","Ingredient_Smile": "C1=CC=C2C(=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r)-2-o-β-d-glucopyranosyl-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one
{"Ingredient_id": "HBIN006384","Ingredient_name": "(2r)-2-o-\u03b2-d-glucopyranosyl-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one","Alias": "NA","Ingredient_formula": "C14H17NO9","Ingredient_Smile": "C1=CC=C2C(=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8665","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy blepharin
{"Ingredient_id": "HBIN012420","Ingredient_name": "6-hydroxy blepharin","Alias": "NA","Ingredient_formula": "C14H17NO9","Ingredient_Smile": "C1=CC2=C(C=C1O)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9857","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
