Exact Mass: 294.08031040000003
Exact Mass Matches: 294.08031040000003
Found 500 metabolites which its exact mass value is equals to given mass value 294.08031040000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aspartame
Aspartame is the name for an artificial, non-carbohydrate sweetener, aspartyl-phenylalanine-1-methyl ester; i.e., the methyl ester of the dipeptide of the amino acids aspartic acid and phenylalanine. It is marketed under a number of trademark names, such as Equal, and Canderel, and is an ingredient of approximately 6,000 consumer foods and beverages sold worldwide. It is commonly used in diet soft drinks, and is often provided as a table condiment. It is also used in some brands of chewable vitamin supplements. In the European Union, it is also known under the E number (additive code) E951. Aspartame is also one of the sugar substitutes used by diabetics. Upon ingestion, aspartame breaks down into several constituent chemicals, including the naturally-occurring essential amino acid phenylalanine which is a health hazard to the few people born with phenylketonuria, a congenital inability to process phenylalanine. Aspartic acid is an amino acid commonly found in foods. Approximately 40\\\% of aspartame (by mass) is broken down into aspartic acid. Because aspartame is metabolized and absorbed very quickly (unlike aspartic acid-containing proteins in foods), it is known that aspartame could spike blood plasma levels of aspartate. Aspartic acid is in a class of chemicals known as excitotoxins. Abnormally high levels of excitotoxins have been shown in hundreds of animals studies to cause damage to areas of the brain unprotected by the blood-brain barrier and a variety of chronic diseases arising out of this neurotoxicity. Compd. with 100 times the sweetness of sucrose. Artificial sweetener permitted in foods in EU at 300-5500 ppmand is also permitted in USA. Widely used in foods, beverages and pharmaceutical formulations D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2770 Aspartame (SC-18862) is a methyl ester of a dipeptide. Aspartame can be used as a synthetic nonnutritive sweetener[1][2].
Estazolam
Estazolam is only found in individuals that have used or taken this drug. It is a benzodiazepine with anticonvulsant, hypnotic, and muscle relaxant properties. It has been shown in some cases to be more potent than diazepam or nitrazepam. [PubChem]Benzodiazepines bind nonspecifically to benzodiazepine receptors, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Tuliposide B
Tuliposide b is a member of the class of compounds known as hexoses. Hexoses are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Tuliposide b is soluble (in water) and a very weakly acidic compound (based on its pKa). Tuliposide b can be found in garden onion, which makes tuliposide b a potential biomarker for the consumption of this food product.
(3S,4R)-3,4,5-trihydroxy-8-oxospiro[6,7-dihydronaphthalene-5,2-oxolane]-2-carboxylic acid
Aplysin
C15H19BrO (294.06191839999997)
Filiformin
C15H19BrO (294.06191839999997)
Laurinterol
C15H19BrO (294.06191839999997)
A sesquiterpenoid isolated from Laurencia intermedia and Aplysia kurodai and has been found to exhibit antibacterial activity,
Cyanthoate
C10H19N2O4PS (294.08031040000003)
6-tuliposide B
A 6-O-acyl-D-glucose in which the 6-acyl group is specified as (3S)-3,4-dihydroxy-2-methylidenebutanoyl. A secondary metabolite with potent antibacterial activity, occurring specifically in tulip anthers.
Tyrphostin B42
C17H14N2O3 (294.10043740000003)
D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
Musk ketone is a light yellow crystalline solid. Insoluble in water. (NTP, 1992) 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone is an aromatic ketone. Musk ketone is a natural product found in Moschus with data available. 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone is listed in the EAFUS Food Additive Database (Jan 2001 Listed in the EAFUS Food Additive Database (Jan 2001) D000970 - Antineoplastic Agents Musk ketone is a widely used artificial fragrance. Musk ketone is also a cytochrome P450 enzyme inducer. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3]. Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3].
gamma-Glutamylphenylalanine
gamma-Glutamylphenylalanine is a dipeptide composed of gamma-glutamate and phenylalanine, and is a proteolytic breakdown product of larger proteins. It is probably formed by transpeptidation between glutathione and the corresponding amino acid, catalyzed by gamma-glutamyl transpeptidase (PMID: 237763). gamma-Glutamylphenylalanine belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylphenylalanine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. It can be detected in the urine of patients with phenylketonuria, which is a human genetic disorder due to the lack of phenylalanine hydroxylase to metabolize phenylalanine to tyrosine (Wikipedia). gamma-Glutamylphenylalanine is found in adzuki bean, onion (Allium cepa), garlic (Allium sativum), and soybean. γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1]. γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1].
1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene
1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene is found in green vegetables. 1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene is a constituent of the cultured cells of asparagus (Asparagus officinalis). Constituent of the cultured cells of asparagus (Asparagus officinalis). 1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene is found in green vegetables.
Glutamylphenylalanine
Glutamylphenylalanine is a dipeptide composed of glutamate and phenylalanine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylphenylalanine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Methoxybrassenin B
C13H14N2O2S2 (294.04966640000004)
Methoxybrassenin B is found in brassicas. Methoxybrassenin B is a stress metabolite isolated from cabbage inoculated with Pseudomonas cichorii. Stress metabolite isolated from cabbage inoculated with Pseudomonas cichorii. Methoxybrassenin B is found in brassicas.
Glyzarin
Glyzarin is found in herbs and spices. Glyzarin is a constituent of Glycyrrhiza glabra (licorice)
L-gamma-Glutamyl-beta-phenyl-beta-L-alanine
L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is found in pulses. L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is isolated from Phaseolus angularis (Azuki bean). Isolated from Phaseolus angularis (Azuki bean). L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is found in pulses.
Cyclocalopin F
Cyclocalopin F is found in mushrooms. Cyclocalopin F is isolated from Boletus calopus and other Boletus species. Isolated from Boletus calopus and other Boletus subspecies Cyclocalopin F is found in mushrooms.
(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene
(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene is found in nuts. (E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene is a constituent of Arachis hypogaea (peanuts). Constituent of Arachis hypogaea (peanuts). (E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene is found in nuts.
Wasalexin A
C13H14N2O2S2 (294.04966640000004)
Wasalexin A is found in brassicas. Wasalexin A is a constituent of Wasabia japonica (Japanese horseradish) Constituent of Wasabia japonica (Japanese horseradish). Wasalexin A is found in brassicas and wasabi.
7-Acetoxy-2-methylisoflavone
7-Acetoxy-2-methylisoflavone is found in herbs and spices. 7-Acetoxy-2-methylisoflavone is isolated from Glycyrrhiza glabra (licorice
Distichonic acid A
Distichonic acid A is found in cereals and cereal products. Distichonic acid A is produced by Hordeum vulgare (barley). Production by Hordeum vulgare (barley). Distichonic acid A is found in barley and cereals and cereal products.
gamma-L-Glutamyl-L-methionine sulfoxide
gamma-L-Glutamyl-DL-methionine sulfoxide is found in nuts. gamma-L-Glutamyl-DL-methionine sulfoxide is isolated from the seeds of Fagus silvatica (beechnuts). Isolated from the seeds of mung bean (Vigna radiata) and black gram (Vigna mungo). gamma-L-Glutamyl-L-methionine sulfoxide is found in pulses.
Phenylalanylglutamic acid
Phenylalanylglutamic acid is a dipeptide composed of phenylalanine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Rosoxacin
C17H14N2O3 (294.10043740000003)
Rosoxacin is a quinolone derivative antibiotic for the treatment of bacterial infection of respiratory tract, urinary tract, GI, CNS and immuno compromised patients. Rosoxacin is known to be effective against penicillin resistant strains and is a single dose orally administered drug, which avoids all complications of parenteral administration seen with penicillin, especially anaphylactic shock. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents
Sulfacytine
Sulfacytine is a short-acting sulfonamide. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of p-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Sulfacytine is a competitive inhibitor of the enzyme dihydropteroate synthetase. It inhibits bacterial synthesis of of dihydrofolic acid by preventing the condensation of the pteridine with para-aminobenzoic acid (PABA), a substrate of the enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Hydroxyprolyl-Tyrosine
Hydroxyprolyl-Tyrosine is a dipeptide composed of hydroxyproline and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Tyrosylhydroxyproline
Tyrosylhydroxyproline is a dipeptide composed of tyrosine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one
3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one is found in fruits. 3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one is a constituent of the roots of Mangifera indica (mango)
Wasalexin B
C13H14N2O2S2 (294.04966640000004)
Wasalexin B is found in brassicas. Wasalexin B is a constituent of Wasabia japonica (Japanese horseradish) Constituent of Wasabia japonica (Japanese horseradish). Wasalexin B is found in brassicas and wasabi.
Distichonic acid B
Distichonic acid B is found in cereals and cereal products. Distichonic acid B is from Hordeum vulgare (barley). From Hordeum vulgare (barley). Distichonic acid B is found in barley and cereals and cereal products.
Tyrphostin B42
C17H14N2O3 (294.10043740000003)
5'-N-Methylcarboxamidoadenosine
6-Hydroxymethylsulfadimidine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Benzenesulfonamide, 4-amino-N-(5-hydroxy-4,6-dimethyl-2-pyrimidinyl)-
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Lanceolatin C
Pongamol (Lanceolatin C) is potent α-glucosidase inhibitor (IC50=103.5 μM) and has free-radical (DPPH) scavenging,antihyperglycemic, and antihyperglycemic activities[1].
Lidofenin
3,4-Bis(carboxymethyl)-3,4-dihydroxyhexanedioic acid
C10H14O10 (294.05869440000004)
Sulfametomidine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Tanshinone IIA
N~4~-Cyclopropyl-6-(2,3-Dichlorophenyl)pyrimidine-2,4-Diamine
3-Isopentadienyl-3',4,5'-trihydroxystilbene
3-isopentadienyl-3,4,5-trihydroxystilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 3-isopentadienyl-3,4,5-trihydroxystilbene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-isopentadienyl-3,4,5-trihydroxystilbene can be found in peanut, which makes 3-isopentadienyl-3,4,5-trihydroxystilbene a potential biomarker for the consumption of this food product.
gamma-Glutamylphenylalanine
γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1]. γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1].
1ST40088
1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione is an abietane diterpenoid. Tanshinone IIA is a natural product found in Salvia miltiorrhiza, Salvia digitaloides, and other organisms with data available. See also: Salvia Miltiorrhiza Root (part of). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
2-methoxy-4-[3-methyl-5-(1-propenyl)-2-benzofuranyl]-phenol
15-Bromo-1,3(15),7-chamigratrien-9-one
C15H19BrO (294.06191839999997)
Cupalaurenol
C15H19BrO (294.06191839999997)
Isolaurenisol
C15H19BrO (294.06191839999997)
Isoaplysin
C15H19BrO (294.06191839999997)
Corianin
A sesquiterpene lactone containing an epoxide group and two tertiary hydroxy groups that has been isolated from the fruits of Coriaria ruscifolia and Coriaria japonica.
Allolaurinterol
C15H19BrO (294.06191839999997)
Neolaurinterol
C15H19BrO (294.06191839999997)
2-[3-(bromomethylene)-1,2-dimethylcyclopentyl]-5-methylphenol
C15H19BrO (294.06191839999997)
Cyclolaurenol
C15H19BrO (294.06191839999997)
(+)-2-(Bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin
C15H19BrO (294.06191839999997)
Isolaurinterol
C15H19BrO (294.06191839999997)
7-(2,3-Dihydroxy-3-methylbutyloxy)-5-hydroxy-5-methoxycoumarin
3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-9-hydroxy-8b-methyl-9-(1-methylethyl)-, [1aR-(1a.alpha.,2a.beta.,3.beta.,6.beta.,6a.beta.,8aS*,8b.beta.,9R*)]-
5-Hydroxy-7-[2-(4-hydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran
pongamol
Pongamol (Lanceolatin C) is potent α-glucosidase inhibitor (IC50=103.5 μM) and has free-radical (DPPH) scavenging,antihyperglycemic, and antihyperglycemic activities[1].
Tanshinone IIA
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
ethyl 5-amino-1-(1,3-dimethyl-4-nitropyrazol-5-yl)pyrazole-4-carboxylate
2-Anilino-6-oxo-4-(2-thienyl)-1,6-dihydropyrimidine-5-carbonitrile
C15H10N4OS (294.05752900000005)
OCP_295.0845_17.0
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1303
hydroxymethylenetanshinquinone
1,2-Methylendioxy-6-nitroso-6abeta-aporphan|1,2-methylenedioxy-6-nitroso-6abeta-aporphane|5H-benzo[g]-1,3-benzodioxolo[5,6,4]quinoline-6,7,7a,8-tetrahydro-7-nitroso-(7aR)|N-nitrosoanonaine
C17H14N2O3 (294.10043740000003)
(+-) merrilactone A|(-)-merrilactone A|(S,S)-merrilactone A|merrilactone A
Benzyl glycoside,2,3-O-isopropylidene-beta-D-Furanose-Riburonic acid
9,10-Anthracenedione, 2-acetyl-1-hydroxy-3,6-dimethyl-
4-Hydroxy-6-(4-hydroxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one
(2S,3S)-3-O-caffeyl-2,3,4-trihydroxy-2-methylbutan-1,4-olide|3-O-Caffeoyl-2-C-methyl-D-erythrono-1,4-lactone
(3aR*,9bS*)-2,3,3a,9b-tetrahydro-3a,6-dihydroxy-2,8-dimethoxy-2-methylnaphtho[1,2-b]furan-5(4H)-one|balticol F
3,4-dihydro-6-methoxy-8-hydroxy-3,4,5-trimethyl-isocoumarin-7-carboxylic acid methyl ester
1,2-Dihydro-1,6-dimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione
9-hydroxy-2-isopropenyl-1,8-dioxa-dicyclopenta[b,g]naphthalene-4,10-dione
1-Hydroxy-2-acetyl-3,7-dimethyl-9,10-anthraquinone
6-(3-carboxybutyl)-7-hydroxy-5-methoxy-4-methylphthalan-1-one
2-(4,5,5-Trimethyl-1-cyclopentenyl)-4-bromo-5-methylphenol
C15H19BrO (294.06191839999997)
5-Hydroxy-7-methoxy-8-(4-hydroxy-3-methylbutoxy)coumarin
1-Oxo-8alpha-hydroxy-2alpha,5alpha-peroxyeudesm-3-en-11betaH-12,6alpha-olide
1,3-Propanedione, 1-(4-methoxy-5-benzofuranyl)-3-phenyl-
(4S,5S,6R,10R)-8,9-seco-12-hydroxyeremophil-7(11)-en-14,6;12,8-diolid-9-al
3-Methoxy-4-methyl-5-(3-methyl-2-butenyloxy)phthalic acid
chiritalone B|rel-(2R,3aS,4R,9aR)-3a,4,8,9a-tetrahydroxy-2,3,3-trimethyl-2,3,3a,4,9a-pentahydronaphtho[2,3-b]furan-9-one
amabiose|beta-D-glucopyranosyl(1->5)beta-D-hemslofuranosyl(1->2)
3-O-beta-D-glucopyranosyl-2-deoxy-D-ribono-gamma-lactone
9-((Z)-bromomethylidene)-1,2,5-trimethylspiro<5.5>undeca-1,7-dien-3-one|9-((Z)-bromomethylidene)-1,2,5-trimethylspiro[5.5]undeca-1,7-dien-3-one
C15H19BrO (294.06191839999997)
3,4-Dihydroxy-5-(2-acetoxy-3-methyl-3-butenyl)benzoic acid methyl ester
3,4-(Methylenedioxy)-8-methoxy-10-hydroxyphenanthrene-1-carboxylic acid lactone
7-methoxy-8-(2,3-dihydroxy-3-methylbutoxy)-coumarin
3,4-Dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoic acid
(3Z,6Z,9Z)-13-bromo-5,12-epoxypentadeca-3,6,9-trien-1-yne
C15H19BrO (294.06191839999997)
Distichonic acid B
{(Z)-3-(chloromethylene)-2,3-dihydrobenzo[b]oxepin-7-yl}methyl trimethysilyl ether
C15H19ClO2Si (294.08427839999996)
2-Methyl-4-(1-oxo-4,6-dimethyl-7-hydroxy-1,3-dihydroisobenzofuran-5-yloxy)butyric acid
(3Z,6Z,9Z)-12-bromo-5,13-epoxypentadeca-3,6,9-trien-1-yne
C15H19BrO (294.06191839999997)
3-methyl-8,9-methylenedioxycoumestone|flemmichapparin C
AG-490
C17H14N2O3 (294.10043740000003)
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)heptan-1-imine
Aspartame
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; IAOZJIPTCAWIRG-QWRGUYRKSA-N_STSL_0231_Aspartame_0031fmol_190114_S2_LC02MS02_038; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. CONFIDENCE standard compound; INTERNAL_ID 5809 Aspartame (SC-18862) is a methyl ester of a dipeptide. Aspartame can be used as a synthetic nonnutritive sweetener[1][2].
3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one
3-(6,8-dimethoxy-1-oxoisochromen-3-yl)-2-hydroxypropanoic acid
7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one
2-(2-hydroxyphenyl)-4-phenylbenzene-1,3,5-triol
C15H18O6_Pentaleno[1,6a-c]pyran-9-carboxylic acid, 1,3,4,7,7a,9a-hexahydro-4-hydroxy-4-(hydroxymethyl)-6,7-dimethyl-3-oxo-, (4R,7S,7aR,9aR)
C17H14N2O3_(3S,3R)-4-Methyl-3-phenylspiro[1,4-benzodiazepine-3,2-oxirane]-2,5(1H,4H)-dione
C17H14N2O3 (294.10043740000003)
7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one
(1R,4aR,6aR,7S)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
estazolam
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Musk ketone
D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2455 Musk ketone is a widely used artificial fragrance. Musk ketone is also a cytochrome P450 enzyme inducer. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3]. Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3].
(4R,5S or 4S,5R)-4-hydroxy-5-((?-D-glucopyranosyloxy)methyl)dihydrofuran-2(3H)-one
3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one [IIN-based on: CCMSLIB00000847387]
3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one [IIN-based: Match]
(1R,4aR,6aR,7S)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid_major
2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]-
C14H14O5S (294.05619140000005)
rosoxacin
C17H14N2O3 (294.10043740000003)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents
Sulfacytine
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
N-gamma-L-Glutamyl-L-phenylalanine
Wasalexin A
C13H14N2O2S2 (294.04966640000004)
Wasalexin B
C13H14N2O2S2 (294.04966640000004)
L-gamma-Glutamyl-beta-phenyl-beta-L-alanine
g-L-Glutamyl-L-methionine sulfoxide
Methoxybrassenin B
C13H14N2O2S2 (294.04966640000004)
Distichonic acid A
Cyclocalopin F
1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose
6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose
1,1,1-Trifluoro-N-(1,2,3,4-tetrahydro-1-methyl-7-quinolinyl)-methanesulfonamide
N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine,hydrochloride
tert-butyl N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate
3-pyridineacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-a-oxo-, ethyl ester
2-n-boc-amino-4-benzothiazole-6-carboxylic acid
C13H14N2O4S (294.06742440000005)
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyethanimidamide
C12H14ClF3N2O (294.07466999999997)
Metalol hydrochloride
C11H19ClN2O3S (294.08048540000004)
3-[(2-CHLORO-6-FLUOROBENZYL)OXY]-4-METHOXYBENZALDEHYDE
C15H12ClFO3 (294.04589639999995)
3-[(2-CHLORO-4-FLUOROBENZYL)OXY]-4-METHOXYBENZALDEHYDE
C15H12ClFO3 (294.04589639999995)
n,n-bis(2-hydroxyethyl)-4-phenylenediamine sulphate
methyl 2-[(2-chloroacetyl)amino]-3-(1h-indol-3-yl)propanoate
2-tert-Butoxycarbonylamino-benzothiazole-4-carboxylic acid
C13H14N2O4S (294.06742440000005)
5-(4-(Benzyloxy)phenyl)-1H-pyrazole-3-carboxylic acid
C17H14N2O3 (294.10043740000003)
10-CHLORO-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLINE DIHYDROCHLORIDE
C12H17Cl3N2 (294.04572520000005)
3-AMINO-3-[5-(3-CHLORO-4-METHOXYPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
2-[(2-CHLORO-6-FLUOROBENZYL)OXY]-3-METHOXYBENZALDEHYDE
C15H12ClFO3 (294.04589639999995)
2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzaldehyde
C15H12ClFO3 (294.04589639999995)
N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulphate
ethyl 4-[(4-ethoxy-4-oxobutanoyl)amino]pyridine-3-carboxylate
4-FORMYL-5-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
Ethyl 1-tosyl-1H-imidazole-4-carboxylate
C13H14N2O4S (294.06742440000005)
1-[(4-NITROBENZYLOXY)CARBONYL]-PYRROLIDINE-2-CARBOXYLIC ACID
(2-FLUORO-PHENYLAMINO)-ACETICACIDHYDRAZIDE
C17H14N2O3 (294.10043740000003)
1,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy-4-pentyl methacrylate
Ethanedioic acid,1,2-bis[2-(phenylmethylene)hydrazide]
2-Amino-3-phthalimid-1-ylpropiophenone
C17H14N2O3 (294.10043740000003)
CYCLOHEPTA[B]PYRAN-4,9-DIONE, 2-(1,3-BENZODIOXOL-5-YL)-
Bucloxic acid
C16H19ClO3 (294.10226539999996)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents
N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxybenzaldehyde
C15H12ClFO3 (294.04589639999995)
2-(4-isothiocyanatophenyl)-N,N-dimethyl-1-benzofuran-6-amine,hydrochloride
Ethyl 2-(pyrrolidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate
6-chloro-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
C12H14ClF3N2O (294.07466999999997)
4-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
6-METHOXY-3-[4-(TRIFLUOROMETHYL)PHENYL][1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE
2-[hydroxy(2-prop-2-enoyloxyethoxy)phosphoryl]oxyethyl prop-2-enoate
(Z)-4-(4-Nitrobenzylidene)-2-phenyloxazol-5(4H)-one
(Z)-4-(2-Nitrobenzylidene)-2-phenyloxazol-5(4H)-one
4-[6-Chloro-2-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinecarbal dehyde
Sulfaethoxypyridazine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
1,5-DIPHENYL-4-ETHYL-3-METHYLTHIO-1H-PYRAZOLE
C18H18N2S (294.11906280000005)
6-CHLORO-9A-(2-FLUOROETHYL)-7-METHOXY-9,9A-DIHYDRO-1H-FLUOREN-3(2H)-ONE
6-chloro-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
6-(Dibutylamino)-1,3,5-triazine-2,4-dithiol·sodium
4-(6-METHOXY-BENZOTHIAZOL-2-YLCARBAMOYL)-BUTYRIC ACID
C13H14N2O4S (294.06742440000005)
6-N-Benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine HCl
8-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)
C15H19ClN2O2 (294.11349839999997)
2-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)
C15H19ClN2O2 (294.11349839999997)
1-BENZYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDIN-4-YL ACETATE
C17H14N2O3 (294.10043740000003)
(E)-2-(4-bromophenyl)-3-cyclohexylprop-2-en-1-ol
C15H19BrO (294.06191839999997)
6-(3-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-1H-PYRAZOL-4-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE
4,4,4-trifluoro-3-hydroxy-3-(4-phenylphenyl)butan-2-one
2-(2,2,3,3,4,4,4-heptafluorobutanoyl)cyclohexan-1-one
(z)-3,4-dihydro-3-(2-(4-methoxyphenyl)-2-oxoethylidene)quinoxalin-2(1h)-one
C17H14N2O3 (294.10043740000003)
2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetamide
C17H14N2O3 (294.10043740000003)
8-chloro-9a-(2-fluoroethyl)-7-methoxy-2,9-dihydro-1H-fluoren-3-on e
(1S,4S)-(+)-2-(3-CHLORO-BENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE DIHYDROCHLORIDE
C12H17Cl3N2 (294.04572520000005)
4-[(2-CHLORO-4-FLUOROBENZYL)OXY]-3-METHOXYBENZALDEHYDE
C15H12ClFO3 (294.04589639999995)
2-(4-METHOXY-PHENYL)-5-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
C17H14N2O3 (294.10043740000003)
Aluminum Lactate
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
1-FURFURYL-3-(P-TOLYLSULFONYL)-UREA
C13H14N2O4S (294.06742440000005)
1-(4-METHOXYPHENYL)-5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
C17H14N2O3 (294.10043740000003)
2-(2-CHLOROBENZYL)-2,5-DIAZABICYCLO[2.2.1]HEPTANE
C12H17Cl3N2 (294.04572520000005)
7-Nitrobenzoxadiazole-6-aminohexanoic acid
4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid
C13H14N2O4S (294.06742440000005)
(2S,3R,4S,5S)-5-(chloromethyl)tetrahydrofuran-2,3,4-triyl triacetate
C11H15ClO7 (294.05062699999996)
(6-BROMOHEXYLOXY)-TERT-BUTYLDIMETHYL-
C12H27BrOSi (294.10144319999995)
(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trideuteriomethyl)-1,3,5-oxadiazinan-4-ylidene]nitramide
1H-Indole-3-carboxaldehyde,2-methyl-1-[(2-nitrophenyl)methyl]-(9CI)
C17H14N2O3 (294.10043740000003)
2-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]acetic acid
C13H14N2O4S (294.06742440000005)
1H-Indole,3-(2-nitroethenyl)-5-(phenylmethoxy)-
C17H14N2O3 (294.10043740000003)
3-cyano-4-trifluoromethyl-6-(4-methoxyphenyl)-pyridine-2-one
methyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]acetate
C13H14N2O4S (294.06742440000005)
4,4,5,5-TETRAMETHYL-2-(PERFLUOROPHENYL)-1,3,2-DIOXABOROLANE
C12H12BF5O2 (294.08504619999997)
5-AMINO-1-CYCLOPROPYL-6,7-DIFLUORO-1,4-DIHYDRO-8-METHYL-4-OXO-3-QUINOLINECARBOCYLIC ACID
9-chloro-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline,dihydrochloride
C12H17Cl3N2 (294.04572520000005)
2-[(6-METHOXYPYRIDIN-3-YLAMINO)METHYLENE]MALONIC ACID DIETHYL ESTER
1H-Indole-3-carboxaldehyde,2-methyl-1-[(3-nitrophenyl)methyl]-(9CI)
C17H14N2O3 (294.10043740000003)
6-METHOXY-7-(2-(2-METHOXYETHOXY)ETHOXY)QUINAZOLIN-4(3H)-ONE
Kelatorphan
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
N~4~-Cyclopropyl-6-(2,3-Dichlorophenyl)pyrimidine-2,4-Diamine
Fatostatin
C18H18N2S (294.11906280000005)
Fatostatin (125B11), a specific inhibitor of SREBP activation, impairs the activation of SREBP-1 and SREBP-2. Fatostatin binds to SCAP (SREBP cleavage-activating protein), and inhibits the ER-Golgi translocation of SREBPs. Fatostatin decreases the transcription of lipogenic genes in cells. Fatostatin possesses antitumor properties, and lowers hyperglycemia in ob/ob mice[1][2].
Phccc
C17H14N2O3 (294.10043740000003)
PHCCC is a Group I mGluR antagonist with an IC50 of 3 μM. PHCCC is a selective positive modulator of mGlu4 receptor. Antiparkinsonian effect[1][2].
5-(piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
C13H14N2O4S (294.06742440000005)
4-(4-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
4-(3-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
N4-(3-chlorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine
C11H11ClN6O2 (294.06319759999997)
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
2-[(1-Acetyl-1H-indol-3-YL)amino]benzoic acid
C17H14N2O3 (294.10043740000003)
3-[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
C17H14N2O3 (294.10043740000003)
7-Methoxy-2-phenylimino-1-benzopyran-3-carboxamide
C17H14N2O3 (294.10043740000003)
5-Methyl-alpha-((5-nitro-2-furanyl)methylene)-1H-benzimidazole-2-acetonitrile
5-[(3-methyl-2-thienyl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
C13H14N2O2S2 (294.04966640000004)
4-Methyl-alpha-((5-nitro-2-furanyl)methylene)-1H-benzimidazole-2-acetonitrile
(2E)-4-(4-(2-Chlorophenyl)-1-piperazinyl)-4-oxo-2-butenoic acid
4-Chloro-6-(4-piperazin-1-YL-1H-pyrazol-5-YL)benzene-1,3-diol
1-((2-Hydroxyethoxy)methyl)-5-(phenylthio)pyrimidine-2,4(1H,3H)-dione
C13H14N2O4S (294.06742440000005)
(3r)-4,4-Difluoro-3-[(4-Methoxyphenyl)sulfonyl]butanoic Acid
C11H12F2O5S (294.03734860000003)
2-(beta-D-Glucopyranosyl)-5-methyl-1,2,3-benzimidazole
2-[(2-Amino-3-phenylpropanoyl)amino]pentanedioic acid
5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium
C8H13N3O7P- (294.04910980000005)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as protonation of the endocyclic nitrogen at position 3 in the imidazole ring of 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(3S,4S,4aR,5R,6R,7R,7aS)-5,6-bis(hydroxymethyl)spiro[4a,6,7,7a-tetrahydro-3H-furo[2,3-b][1,4]dioxine-2,2-oxolane]-3,4,7-triol
(2R)-2-amino-3-[(E)-N-hydroxy-C-(6-methylsulfanylhexyl)carbonimidoyl]sulfanylpropanoic acid
(E/Z)-AG490
C17H14N2O3 (294.10043740000003)
4-Amino-5-(2-amino-4-methylsulfanylbutanoyl)peroxy-5-oxopentanoic acid
3-Chloro-4-(dimethylamino)-6-(4-nitrophenyl)-2-pyranone
5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium
C8H13N3O7P- (294.04910980000005)
Conjugate base of 5-amino-1-(5-phospho-D-ribosyl)imidazole. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Angelitriol
A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1,2,3-trihydroxy-3-methylbutyl group (the 1R,2S stereoisomer). Originally isolated from the roots of Angelica pubescens, angelitriol shows strong inhibitory effects on human platelet aggregation.
(5-Amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
(2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one
A natural product found in Colletotrichum species.
2-(5-phenyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
3-(9-carbazolylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione
N-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine
3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one
C16H10N2O2S (294.04629600000004)
1-(3-Chloro-4-methoxyphenyl)-3-(2-fluorophenyl)urea
C14H12ClFN2O2 (294.05712939999995)
N-(3-acetylphenyl)-3,5-dimethyl-4-isoxazolesulfonamide
C13H14N2O4S (294.06742440000005)
2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile
(5Z)-2-(benzylamino)-5-benzylidene-1,3-thiazol-4-one
3-[(2,5,6-Trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-2-oxolanone
C13H14N2O2S2 (294.04966640000004)
2-(2-methoxyethylthio)-N-(2-thiazolyl)benzamide
C13H14N2O2S2 (294.04966640000004)
3-Chloro-1-(2,4-dimethylphenyl)-4-(2-hydroxyethylamino)pyrrole-2,5-dione
2-[1-(2-Methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
2-(5-hydroxy-1H-pyrazol-3-yl)-N-[(1E)-1-naphthylmethylene]acetohydrazide
1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
Methyl 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoate
2-Bromo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol
N4-(4-Chlorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine
C11H11ClN6O2 (294.06319759999997)
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole
C18H18N2S (294.11906280000005)
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-(pyridine-4-carbonylamino)oxan-2-yl]acetic acid
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(pyridine-4-carbonylamino)oxan-2-yl]acetic acid
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid
6-(1-Carboxy-2-methoxy-2-oxoethyl)-3,4,5-trihydroxyoxane-2-carboxylic acid
C10H14O10 (294.05869440000004)
(Z)-3-(3-Chloro-4-hydroxy-5-methoxyphenyl)-2-cyano-N-propan-2-ylprop-2-enamide
3-(4-Hydroxybenzyl)-6-[2-(methylsulfanyl)ethyl]-2,5-piperazinedione
3,4,5-Trihydroxy-6-(3-methoxy-3-oxopropanoyl)oxyoxane-2-carboxylic acid
C10H14O10 (294.05869440000004)
[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium
C12H16N5O4+ (294.12022360000003)
(4R,5S)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-one
3-(2,4-Dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one
3-(6,8-Dimethoxy-1-oxoisochromen-3-yl)-2-hydroxypropanoic acid
Sulfametomidine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
gamma-Glu-phe
A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-phenylalanine.
3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one
3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
(S)-2-Amino-5-(((S)-1-carboxy-2-phenylethyl)amino)-5-oxopentanoic acid
gamma-Glutamylphenylalanine
A dipeptide composed of glutamic acid and phenylalanine joined together by a peptide linkage.
(R)-5-O-Benzoyl-1,2-di-O-isopropylidene-alpha-D-xylofuranose
(R)-5-O-Benzoyl-1,2-di-O-isopropylidene-alpha-D-xylofuranose is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
SIRT1-IN-3
SIRT1-IN-3 (compound 3j) is a potent and selective SIRT1 inhibitor, with an IC50 of 4.2 μM[1].
VU0360172
C18H15FN2O (294.11683519999997)
VU0360172 is a potent and selective mGlu5 receptor positive allosteric modulator with an EC50 value of 16 nM and a Ki of 195 nM, respectively. VU0360172 stimulates polyphosphoinositide (PI) hydrolysis in vivo, which is abrogated in mGlu5 receptors gene deleted mice[1]. VU0360172 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.