Exact Mass: 299.0769998
Exact Mass Matches: 299.0769998
Found 500 metabolites which its exact mass value is equals to given mass value 299.0769998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8-Anilino-1-naphthalene sulfonate
C16H13NO3S (299.06161080000004)
8-Anilino-1-naphthalene sulfonate belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. KEIO_ID A177
phosphamidon
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
D-4'-Phosphopantothenate
D-4-Phosphopantothenate is a product of the enzyme pantothenate kinase [EC 2.7.1.33] and is involved in the pantothenate and CoA biosynthesis pathway (KEGG). D-4-Phosphopantothenate is an intermediate in coenzyme A (CoA) biosynthesis pathway. Coenzyme A is a cofactor of ubiquitous occurrence in plants, bacteria, and animals. It is needed in a large number of enzymatic reactions central to intermediary metabolism, including the oxidation of fatty acids, carbohydrates, and amino acids.
(Z)-N-Coumaroyl-5-hydroxyanthranilic acid
(Z)-N-Coumaroyl-5-hydroxyanthranilic acid is found in cereals and cereal products. (Z)-N-Coumaroyl-5-hydroxyanthranilic acid is isolated from oats (Avena sativa).
Imipenem
C12H17N3O4S (299.09397220000005)
Semisynthetic thienamycin that has a wide spectrum of antibacterial activity against gram-negative and gram-positive aerobic and anaerobic bacteria, including many multiresistant strains. It is stable to beta-lactamases. Clinical studies have demonstrated high efficacy in the treatment of infections of various body systems. Its effectiveness is enhanced when it is administered in combination with cilastatin, a renal dipeptidase inhibitor. [PubChem] D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
2,3,9,10-Tetrahydroxyberbine
C17H17NO4 (299.11575220000003)
A berberine alkaloid that is berbine substituted by hydroxy groups at positions 2, 3, 9 and 10.
7-Methylxanthosine
7-methylxanthosine is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. 7-methylxanthosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 7-methylxanthosine can be found in arabica coffee, which makes 7-methylxanthosine a potential biomarker for the consumption of this food product.
fenbendazole
C15H13N3O2S (299.07284380000004)
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 1062 Fenbendazole is an orally active benzimidazole anthelmintic agent, with a broad antiparasitic range. Fenbendazole is a microtubule destabilizing agent and acts on helminthes primarily by binding to tubulin and disrupting the tubulin microtubule equilibrium. Fenbendazole stabilizes the transcriptional activator HIF-1α. Fenbendazole possesses an efficient anti-proliferative activity and induces apoptosis. Fenbendazole causes cell-cycle arrest and mitotic cell death, and has antitumor activity in mice xenografted with wild-type p53[1].
chlordiazepoxide
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 3617 CONFIDENCE standard compound; INTERNAL_ID 1542
N-trans-p-Coumaroyloctopamine
C17H17NO4 (299.11575220000003)
Alkaloid from roots of bell pepper (Capsicum annuum variety grossum). N-trans-p-Coumaroyloctopamine is found in many foods, some of which are orange bell pepper, herbs and spices, eggplant, and red bell pepper. N-trans-p-Coumaroyloctopamine is found in eggplant. N-trans-p-Coumaroyloctopamine is an alkaloid from roots of bell pepper (Capsicum annuum var. grossum). N-trans-p-coumaroyloctopamine is a member of styrenes. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1]. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1].
N-cis-Caffeoyltyramine
C17H17NO4 (299.11575220000003)
N-cis-Caffeoyltyramine is a member of catechols. n-Caffeoyltyramine is a natural product found in Lycium chinense, Limoniastrum guyonianum, and other organisms with data available. See also: Tobacco Leaf (part of); Cannabis sativa subsp. indica top (part of); Cocoa (part of) ... View More ... N-cis-Caffeoyltyramine is found in fruits. N-cis-Caffeoyltyramine is an alkaloid from stems of cherimoya (Annona cherimola). Alkaloid from stems of cherimoya (Annona cherimola). N-cis-Caffeoyltyramine is found in fruits. N-TRANS-CaffeoyLtyramine is an effective inflammatory response regulator, which has antioxidant activity and anticoagulation effects[1]. N-TRANS-CaffeoyLtyramine is an effective inflammatory response regulator, which has antioxidant activity and anticoagulation effects[1].
Fenbendazole
C15H13N3O2S (299.07284380000004)
Veterinary anthelmintic. Fenbendazole is a fda approved for use in cattle, pigs and goats Fenbendazole (Hoechst brand names Panacur and Safe-Guard, Intervet Panacur and Panacur Rabbit) is a broad spectrum benzimidazole anthelmintic used against gastrointestinal parasites including roundworms, hookworms, whipworms, the taenia species of tapeworms, pinworms, aelurostrongylus, paragonimiasis, strongyles and strongyloides and can be administered to sheep, cattle, horses, fish, dogs, cats, rabbits and seals. Drug interactions may occur if using bromsalan flukicides (Dibromsalan, Tribromsalan). Abortions in cattle and death in sheep have been reported after using these medications together. (Plumbs Veterinary Drug Handbook, Fifth Edition. 2005 P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Fenbendazole is an orally active benzimidazole anthelmintic agent, with a broad antiparasitic range. Fenbendazole is a microtubule destabilizing agent and acts on helminthes primarily by binding to tubulin and disrupting the tubulin microtubule equilibrium. Fenbendazole stabilizes the transcriptional activator HIF-1α. Fenbendazole possesses an efficient anti-proliferative activity and induces apoptosis. Fenbendazole causes cell-cycle arrest and mitotic cell death, and has antitumor activity in mice xenografted with wild-type p53[1].
8-Hydroxyguanosine
C10H13N5O6 (299.08657980000004)
8-hydroxyguanosine (8-OHG) is a marker for measuring the rate of oxidative damage to nucleic acids and lipids. Production of reactive oxygen species (ROS) damage proteins, lipid membranes, and nucleic acids (DNA and RNA), all critical functional components of living cells. The progressive accumulation of unrepaired free radical damage over time is believed to be a major contributor to the aging process and to a variety of age-related chronic diseases. Generation of most free radicals is a side effect of normal metabolic processes, especially mitochondrial production of ROS, including superoxide anion, hydrogen peroxide, and hydroxyl radical, coincident to oxidative metabolism. (PMID 14607529). 8-OHG (marker of oxidative damage to RNA) was found in the cerebral cortex in three of six cases of neuropathologically examined autopsy of subacute sclerosing panencephalitis patients. Subacute sclerosing panencephalitis is caused by persistent brain infection of mutated measles virus, showing inflammation, neuronal loss, and demyelination. (PMID 12546425). The concentration of 8-OHG in CSF in Parkinsons disease (PD) patients is approximately three-fold that in controls. The concentration of 8-OHG in CSF decreased significantly with the duration of disease. However, the concentration of 8-OHG in serum was not significantly altered in PD patients compared to that in controls. (PMID 12499051). 8-hydroxyguanosine (8-OHG) is a marker for measuring the rate of oxidative damage to nucleic acids and lipids. Production of reactive oxygen species (ROS) damage proteins, lipid membranes, and nucleic acids (DNA and RNA), all critical functional components of living cells. The progressive accumulation of unrepaired free radical damage over time is believed to be a major contributor to the aging process and to a variety of age-related chronic diseases. Generation of most free radicals is a side effect of normal metabolic processes, especially mitochondrial production of ROS, including superoxide anion, hydrogen peroxide, and hydroxyl radical, coincident to oxidative metabolism. (PMID 14607529) D007155 - Immunologic Factors 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3]. 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3].
Chlordiazepoxide
Chlordiazepoxide is only found in individuals that have used or taken this drug. It is an anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal. [PubChem]Chlordiazepoxide binds to stereospecific benzodiazepine (BZD) binding sites on GABA (A) receptor complexes at several sites within the central nervous system, including the limbic system and reticular formation. This results in an increased binding of the inhibitory neurotransmitter GABA to the GABA(A) receptor.BZDs, therefore, enhance GABA-mediated chloride influx through GABA receptor channels, causing membrane hyperpolarization. The net neuro-inhibitory effects result in the observed sedative, hypnotic, anxiolytic, and muscle relaxant properties. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-Acetoxymethylflindersine
C17H17NO4 (299.11575220000003)
N-Acetoxymethylflindersine is found in fruits. N-Acetoxymethylflindersine is an alkaloid from leaves of Zanthoxylum simulans (Szechuan pepper). Alkaloid from leaves of Zanthoxylum simulans (Szechuan pepper). N-Acetoxymethylflindersine is found in herbs and spices and fruits.
beta-D-Glucopyranosyl anthranilate
beta-D-Glucopyranosyl anthranilate is found in fruits. beta-D-Glucopyranosyl anthranilate is a constituent of the fruit of pi~nuela Bromelia plumieri.
Marshdine
Marshdine is found in citrus. Marshdine is an alkaloid from roots of marsh grapefruit Citrus paradisi (Rutaceae). Alkaloid from roots of marsh grapefruit Citrus paradisi (Rutaceae). Marshdine is found in citrus.
Avenanthramide 1c
Avenanthramide 1c is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Avenanthramide G
Avenanthramide G is found in cereals and cereal products. Avenanthramide G is a stress metabolite in oats (Avena sativa) induced by Victorin M
1-Chloro-diethylcarbamoyl-1-propen-2-yl dimethyl phosphate
5-(N-Methyl-N-isobutyl)amiloride
6-Thioguanosine
C10H13N5O4S (299.0688218000001)
8-Oxoguanosine
C10H13N5O6 (299.08657980000004)
Besifovir
C10H14N5O4P (299.07833740000007)
C254 - Anti-Infective Agent > C281 - Antiviral Agent
Creatinine citrate
Ethylisopropylamiloride
D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062686 - Epithelial Sodium Channel Blockers D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062646 - Acid Sensing Ion Channel Blockers D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D020011 - Protective Agents
5-Amino-N'-[2-(2-chlorophenyl)ethyl]-N-cyanopyridine-3-carboximidamide
Niraxostat
C16H17N3O3 (299.12698520000004)
C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor
Phosphocreatine lactate
C7H14N3O8P (299.05184940000004)
alpha-Cephalin
Alpha-cephalin, also known as alpha-cephalin, is a member of the class of compounds known as phosphatidylethanolamines. Phosphatidylethanolamines are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. Alpha-cephalin is soluble (in water) and a moderately acidic compound (based on its pKa). Alpha-cephalin can be found in flaxseed and peanut, which makes alpha-cephalin a potential biomarker for the consumption of these food products. Alpha-cephalin, also known as α-cephalin, is a member of the class of compounds known as phosphatidylethanolamines. Phosphatidylethanolamines are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages. Alpha-cephalin is soluble (in water) and a moderately acidic compound (based on its pKa). Alpha-cephalin can be found in flaxseed and peanut, which makes alpha-cephalin a potential biomarker for the consumption of these food products.
Salicylic acid 2-beta-D-glucoside
Salicylic acid 2-beta-d-glucoside, also known as 2-O-β-glucopyranosylsalicylic acid or sag, is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Salicylic acid 2-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Salicylic acid 2-beta-d-glucoside can be found in common thyme, rosemary, sweet basil, and sweet marjoram, which makes salicylic acid 2-beta-d-glucoside a potential biomarker for the consumption of these food products.
Methyl
C17H17NO4 (299.11575220000003)
8-(acetylamino)-5,6,7,8-tetrahydro-6,7-dihydroxy-5-(hydroxymethyl)imidazo[1 ,2-a]pyridine-2-acetic acid
1-methyl-2,3,5,5a,12b,12c-hexahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1h)-one
C17H17NO4 (299.11575220000003)
N-cis-Caffeoyltyramine
C17H17NO4 (299.11575220000003)
Ethyl 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)amino]-2-cyanoacrylate
C16H17N3O3 (299.12698520000004)
2-(6-amino-8-sulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
C10H13N5O4S (299.0688218000001)
1,3,4-Trimethoxy-10-methylacridin-9(10H)-one
C17H17NO4 (299.11575220000003)
1,2,3-trimethoxy-10-methylacridin-9(10h)-one
C17H17NO4 (299.11575220000003)
3-methoxy-4,6-dihydroxymorphinandien-7-one
C17H17NO4 (299.11575220000003)
1,3,5-Trimethoxy-10-methylacridin-9(10H)-one
C17H17NO4 (299.11575220000003)
2-acetamido-3-(2,3-dihydroxybenzoylthio)propanoic acid
1,2,4-Trimethoxy-10-methyl-10H-acridin-9-on|1,2,4-trimethoxy-10-methyl-10H-acridin-9-one|1,3,4-Trimethoxy-N-methyl-acridon
C17H17NO4 (299.11575220000003)
(-)-cereolactam
C17H17NO4 (299.11575220000003)
A natural product found in Coniothyrium cereale.
O1-(4-methylamino-phenyl)-beta-D-glucopyranuronic acid|O1-(4-Methylamino-phenyl)-beta-D-glucopyranuronsaeure
7-(2,3-Epoxy-3-methylbutoxy)-4-methoxyfuro[2,3-b]quinoline
C17H17NO4 (299.11575220000003)
4-(5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isochinolin-5-ylmethyl)-brenzcatechin|4-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-benzene-1,2-diol|4-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-pyrocatechol|Norcinnamolaurine
C17H17NO4 (299.11575220000003)
1-(2-Carboxy-phenylamino)-1-desoxy-D-fructose|1-<2-Carboxy-anilino>-1-desoxy-fructose|N-(1-deoxy-D-fructose-1-yl)-anthranilic acid|N-(1-Desoxy-D-fructose-1-yl)-anthranilsaeure
Kresoxim-methyl acid
C17H17NO4 (299.11575220000003)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3463
Adenosine,7,8-dihydro-8-thioxo-
C10H13N5O4S (299.0688218000001)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.330 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.332
Ticlopidine Hydrochloride
C14H15Cl2NS (299.03022100000004)
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents Ticlopidine hydrochloride is an adenosine diphosphate (ADP) receptor inhibitor against platelet aggregation with IC50 of ~2 μM. Target: Adenosine diphosphate (ADP) Ticlopidine (trade name Ticlid) is an antiplatelet drug in the thienopyridine family. Ticlopidine hydrochloride inhibits platelet aggregation with IC50 of ~2 μM in men. Like clopidogrel, it is an adenosine diphosphate (ADP) receptor inhibitor. It is used in patients in whom aspirin is not tolerated, or in whom dual antiplatelet therapy is desirable. Because it has been reported to increase the risk of thrombotic thrombocytopenic purpura (TTP) and neutropenia, its use has largely been supplanted by the newer drug, clopidogrel, which is felt to have a much lower hematologic risk. Its niche role as an alternative in those patients who do not tolerate Clopidogrel has now been superdeded by Ticagrelor and Prasugrel. The usual dose is 250 mg twice daily by the oral route. Ticlopidine hydrochloride, when orally administered to rats, results in activation of basal and prostaglandin E1 (PGE1)-stimulated adenylate cylase activity through increase in affinity of the cyclase in platelet membrane to PGE1, although it failed to affect adenosine- or sodium fluoride-stimulated activity of the enzyme.
N-[3-(3,4-Dihydroxy-phenyl)-acryloyl]-2-hydroxy-benzamide
5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
C17H17NO4 (299.11575220000003)
(2e)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-Hydroxyphenyl)ethyl]acrylamide
C17H17NO4 (299.11575220000003)
CP-607366
CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8103; ORIGINAL_PRECURSOR_SCAN_NO 8101 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8111; ORIGINAL_PRECURSOR_SCAN_NO 8107 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8129; ORIGINAL_PRECURSOR_SCAN_NO 8127 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8133; ORIGINAL_PRECURSOR_SCAN_NO 8131 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8132; ORIGINAL_PRECURSOR_SCAN_NO 8131 CONFIDENCE standard compound; INTERNAL_ID 1322; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8150; ORIGINAL_PRECURSOR_SCAN_NO 8149
N-[(diphenylmethoxy)acetyl]-Glycine
C17H17NO4 (299.11575220000003)
PC(2:0/0:0)
PC(2:0/0:0)[U]
PC(0:0/2:0)
PC(0:0/2:0)[U]
8-Oxoguanosine
C10H13N5O6 (299.08657980000004)
8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3]. 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3].
N-p-coumaroyloctopamine
C17H17NO4 (299.11575220000003)
N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1]. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1].
N-Acetoxymethylflindersine
C17H17NO4 (299.11575220000003)
3-[[2-(4-ethylphenoxy)acetyl]amino]benzoic acid
C17H17NO4 (299.11575220000003)
6,7-diethoxy-2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione
C17H17NO4 (299.11575220000003)
cis-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole-1-one
benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
N7-BUTYL-N2-PHENYLTHIAZOLO[5,4-D]PYRIMIDINE-2,7-DIAMINE
2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
C13H17NO5S (299.08273920000005)
(S)-[1-(4-BROMOPHENYL)ETHYL]CARBAMIC ACID TERT-BUTYL ESTER
3-(DIMETHYLCARBAMOYL)-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C17H17NO4 (299.11575220000003)
N-(3-Acetylphenyl)-3,4-dimethoxybenzamide
C17H17NO4 (299.11575220000003)
PCO 400
C17H17NO4 (299.11575220000003)
ETHYL 2-(CHLOROMETHYL)-4-METHYLQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE
Benz[5,6]isoindolo[2,1-b]isoquinoline-8,13-dione,5,14-dihydro-
1-(Indol-3-yl)-2-(phenylsulfonyl)ethanone
C16H13NO3S (299.06161080000004)
ETHYL 3-(4-BROMO-PHENYL)-2-METHYLAMINOMETHYL-PROPIONATE
ETHYL 3-(3-BROMO-PHENYL)-2-METHYLAMINOMETHYL-PROPIONATE
3-(ETHYLCARBAMOYL)-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C17H17NO4 (299.11575220000003)
3-AMINO-3-(10-CHLORO-ANTHRACEN-9-YL)-PROPIONIC ACID
3-AMINO-3-[5-(2-TRIFLUOROMETHYLPHENYL)-FURAN-2-YL]-PROPIONIC ACID
6-Thioguanosine
C10H13N5O4S (299.0688218000001)
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents 6-Thioguanosine (6-Mercaptoguanosine), an active nucleoside, is an Azathioprine metabolite. 6-Thioguanosine has immunosuppressive effects[1].
3-(4-NITRO-PHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE
6-CHLORO-2-(4-HYDROXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID
（s）-1-benzyl-2-methyl-4，4-difluoropyrrolidine-1，2-dicarb
2-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
5-AMINO-1-[4-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1-(pyridin-3-ylmethyl)piperidin-3-amine(SALTDATA: 3HCl 0.7H2O 0.05(C2H5)2O)
C11H20Cl3N3 (299.07227300000005)
2-[[(3,5-Dimethyl-2-pyridinyl)Methyl]thio]-6-Methoxy-1H-benzimidazole
(2-naphthoxy)acetic acid n-hydroxysuccinimide ester
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDINECARBOX
methyl 4-hydroxyimino-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
C13H17NO3S2 (299.06498120000003)
4-[4-(1-Hydroxyethyl)-2-methoxy-5-nitrophenoxy]butanoic Acid
(E)-2-chloro-3-dimethoxyphosphoryloxy-N,N-diethyl-but-2-enamide
2-[(1,1-dioxothiolan-3-yl)amino]-3-(4-hydroxyphenyl)propanoic acid
C13H17NO5S (299.08273920000005)
1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione
ethyl 4-(methoxyimino)-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
C13H17NO3S2 (299.06498120000003)
6-anilinonaphthalene-2-sulfonic acid
C16H13NO3S (299.06161080000004)
2,6-Diamino-4-(4-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Frentizole
C15H13N3O2S (299.07284380000004)
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
N-[3-(1-IMidazolyl)propyl]-4-chlorobenzenesulfonamide
2-chloro-1-methylpyridinium p-toluenesulfonate
C13H14ClNO3S (299.03828840000006)
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(5-methyl-isoxazol-3-yl)-acetamide
Aconiazide
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
4-CHLORO-7-MESITYL-2,5-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-(5-methyl-isoxazol-3-yl)-acetamide
trans-(+/-)-11-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
gemcitabine hydrochloride
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2150 - Ribonucleotide Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Gemcitabine Hydrochloride (LY 188011 Hydrochloride) is a pyrimidine nucleoside analog antimetabolite and an antineoplastic agent. Gemcitabine Hydrochloride inhibits DNA synthesis and repair, resulting in autophagyand apoptosis[1][2].
4-(chloromethyl)-5-methyl-2-(4-phenoxyphenyl)-1,3-oxazole
2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
((1-((6-AMINO-9H-PURIN-9-YL)METHYL)CYCLOPROPOXY)METHYL)PHOSPHONIC ACID
C10H14N5O4P (299.07833740000007)
6-CHLORO-2-(2-HYDROXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID
2-[2-(Cbz-aMino)phenyl]-1,3-dioxolane
C17H17NO4 (299.11575220000003)
N-PHENYL-1-NAPHTHYLAMINE HYDROBROMIDE,
C16H14BrN (299.03095440000004)
1-(2-METHOXYETHYL)-7-PHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
Methyl (2R,3S)-N-Benzoyl-3-Phenylisoserine
C17H17NO4 (299.11575220000003)
1,1,1,3,3,3-hexafluoro-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-ol
1-METHYL-4-(3-(METHYLSULFONYL)-5-NITROPHENYL)PIPERAZINE
C12H17N3O4S (299.09397220000005)
Thienamycin p-nitrobenzylester hydrochloride (N-methylpyrrolidinonesolvate)
C12H17N3O4S (299.09397220000005)
1-PYRIDIN-2-YLMETHYL-PIPERIDIN-4-YLAMINE
C11H20Cl3N3 (299.07227300000005)
4-[(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLCARBONYL)AMINO]BENZENECARBOXYLIC ACID
N4-Ac-2-OMe-rC
N4-Acetyl-2'-O-methylcytidine (ac4Cm) is an RNA with dual acetylation and methoxidation modifications found in thermophilic archaea. N4-Acetyl-2'-O-methylcytidine has been implicated in the adaptability of archaea in extreme environments, enhancing RNA stability through dual modification[1].
4,6-diamino-1-(4-chlorophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
2-chloro-5-(5,6-dimethyl-1H-indol-2-yl)benzoic acid
4-(1-{[(Benzyloxy)carbonyl]amino}ethyl)benzoic acid
C17H17NO4 (299.11575220000003)
BENZYL (BENZO[D][1,3]DIOXOL-5-YLMETHYL)(METHYL)CARBAMATE
C17H17NO4 (299.11575220000003)
6-Amino-5-sulfamoylpyridine-3-boronic acid pinacol ester
C11H18BN3O4S (299.11110180000003)
tert-Butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
C12H17N3O4S (299.09397220000005)
2-cyclopropyl formamidoimidazole-5-chloro benzophenone
METHYL 4-METHYL-2-([(4-METHYLPHENYL)SULFONYL]AMINO)PENTANOATE
2-Amino-6-phthalimido-4,5,6,7-tetrahydrobenzothiazole
C15H13N3O2S (299.07284380000004)
N-Cbz-4-(1,3-dioxolan-2-yl)aniline
C17H17NO4 (299.11575220000003)
(1R,2R,3S)-2-hydroxymethyl-3-(3,4-dichlorophenyl)-tropane
C15H19Cl2NO (299.08436240000003)
(4-BROMO-BENZYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTER
(5-(N-cyclopentylsulfamoyl)-2-Methoxyphenyl)boronic acid
N-(4-broMo-3-fluorobenzyl)-N-MethylcyclohexanaMine
Pantothenic acid-13C3,15N hemicalcium
C9H17NO5.1/2Ca (299.03584920000003)
1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3,3a,12b-tetrahydro-2-Methyl-, (3aR,12bS)-rel-
(4S)-4-Phenyl-1,2,3-oxathiazolidine-2,2-dioxide-3-carboxylic acid t-butyl ester, min. 97\\%
C13H17NO5S (299.08273920000005)
1-(1-PHENYLETHYL)-1H-PYRAZOL-5-AMINE
C11H20Cl3N3 (299.07227300000005)
3-[(3-nitrophenyl)methyl]-7,8-dihydro-6H-chromene-2,5-dione
Pentiapine
C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
(Z)-2-Methoxy-5-(2-(7-Methoxy-Benzo[D][1,3]Dioxol-5-Yl)Vinyl)Aniline
C17H17NO4 (299.11575220000003)
2,6-diamino-4-(3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
5-AMINO-1-[5-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Diethyl 2-acetamido-2-(2,2,2-trifluoroethyl)malonate
2-[4-(TERT-BUTYL)PHENOXY]-5-NITROBENZALDEHYDE
C17H17NO4 (299.11575220000003)
Methyl 4-hydroxy-1-tosylpyrrolidine-2-carboxylate
C13H17NO5S (299.08273920000005)
(4-Methoxy-3-(piperidin-1-ylsulfonyl)phenyl)boronic acid
4-OXO-3-PHENETHYL-10-OXA-3-AZA-TRICYCLO[5.2.1.0(1,5)]DEC-8-ENE-6-CARBOXYLIC ACID
C17H17NO4 (299.11575220000003)
Carbamic acid,(2,4-dinitrophenoxy)-, 1,1-dimethylethyl ester (9CI)
C11H13N3O7 (299.07534680000003)
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-YL)METHANESULFONAMIDE
C11H18BN3O4S (299.11110180000003)
Ethyl 2-(1H-benzimidazol-2-ylamino)-6-oxo-1,6-dihydro-5-pyrimidin ecarboxylate
(E)-N-(3,4-DIHYDROXYPHENETHYL)-3-(4-HYDROXYPHENYL)ACRYLAMIDE
C17H17NO4 (299.11575220000003)
[1-(4-BROMO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
4-chloro-N-(1,2-dimethyl-5-benzimidazolyl)benzamide
1,3-Dimethyl-7,9-dihydrospiro[indole-3,8-purine]-2,2,6(1h,1h,3h)-trione
4-[(2,4-difluoroanilino)methylidene]-3-phenyl-1H-pyrazol-5-one
3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
4-amino-N-(2-oxolanylmethyl)-3-prop-2-enyl-2-sulfanylidene-5-thiazolecarboxamide
C12H17N3O2S2 (299.07621420000004)
3-(p-Tolylsulfonylamino)-5-fluorouracil
C11H10FN3O4S (299.03760320000004)
Prop-2-En-1-Yl (2s)-2-[(2s,3r)-3-(Acetyloxy)-1-Oxobutan-2-Yl]-2,3-Dihydro-1,3-Thiazole-4-Carboxylate
C13H17NO5S (299.08273920000005)
8-Anilino-1-naphthalenesulfonic acid
C16H13NO3S (299.06161080000004)
beta-D-Glucopyranosyl anthranilate
beta-D-Glucopyranosyl anthranilate is found in fruits. beta-D-Glucopyranosyl anthranilate is a constituent of the fruit of pi~nuela Bromelia plumieri. Constituent of the fruit of pi~nuela Bromelia plumieri. Glucopyranosyl anthranilate is found in fruits and corn.
2-Chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate
Kaempferide(1-)
C16H11O6- (299.05556060000004)
Conjugate base of kaempferide arising from selective deprotonation of the 3-hydroxy group.
4,5-Dihydroxy-3-methoxyflavon-7-olate(1-)
C16H11O6- (299.05556060000004)
A flavonoid oxoanion that is the conjugate base of 4,5,7-trihydroxy-3-methoxyflavone arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
N-acetyl-D-glucosamine 6-phosphate(2-)
C8H14NO9P-2 (299.04061640000003)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-acetyl-alpha-D-glucosamine 1-phosphate(2-)
C8H14NO9P-2 (299.04061640000003)
N-acetyl-alpha-D-galactosamine 1-phosphate(2-)
C8H14NO9P-2 (299.04061640000003)
4-(beta-D-glucosyloxy)benzoate
A benzoate resulting from the removal of a proton from the carboxylic acid group of 4-(beta-D-glucosyloxy)benzoic acid.
N-acetyl-D-galactosamine 6-phosphate(2-)
C8H14NO9P-2 (299.04061640000003)
trimethyl-[2-(4-phosphonooxy-1H-indol-3-yl)ethyl]azanium
C13H20N2O4P+ (299.11606300000005)
Peonidin(1-)
C16H11O6- (299.05556060000004)
An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of peonidin; major species at pH 7.3.
N-acetyl-beta-D-glucosamine 6-phosphate(2-)
C8H14NO9P-2 (299.04061640000003)
an N-acetyl-alpha-D-hexosamine 1-phosphate
C8H14NO9P-2 (299.04061640000003)
N-acetyl-D-mannosamine 1-phosphate
C8H14NO9P-2 (299.04061640000003)
N-acetyl-alpha-D-glucosamine 6-phosphate
C8H14NO9P-2 (299.04061640000003)
8-hydroxyguanosine
C10H13N5O6 (299.08657980000004)
D007155 - Immunologic Factors 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3]. 8-Hydroxyguanosine, an oxidized nucleoside, is a marker of RNA oxidative damage and oxidative stress. 8-Hydroxyguanosine stimulates proliferation and differentiation of B cells[1][2][3].
9-Hydroxy-15-methyl-6,12,13-trioxa-3,5,15-triazatricyclo[7.3.2.11,4]pentadec-4-ene-2,7,11,14-tetrone
2-Deoxy-2,2-difluorocytidine monohydrochloride
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
Ticlid
C14H15Cl2NS (299.03022100000004)
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents
N-acetyl-D-mannosamine 6-phosphate(2-)
C8H14NO9P-2 (299.04061640000003)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(5-Cycloheptylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl)propanoic acid
C13H17NO3S2 (299.06498120000003)
[2-[benzyl(methyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
C17H17NO4 (299.11575220000003)
(E)-1-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylprop-2-en-1-one
N-(3-{4-nitrophenyl}-2-propenylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
2-thiophenecarboxylic acid (6-methyl-2-oxo-1H-quinolin-3-yl)methyl ester
C16H13NO3S (299.06161080000004)
N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
N-(1-tert-butyl-5-benzimidazolyl)-2-thiophenecarboxamide
1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea
Tazobactam(1-)
A penicillinate anion that is the conjugate base of tazobactam, obtained by deprotonation of the carboxy group.
N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenoxy)acetamide
C17H17NO4 (299.11575220000003)
6-methyl-2-[(4-nitrophenyl)methylthio]-1H-benzimidazole
C15H13N3O2S (299.07284380000004)
2,5-Dimethyl-3-furancarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
C17H17NO4 (299.11575220000003)
(4-nitrophenyl) (1E)-2-oxo-N-phenylpropanehydrazonate
3-Methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone
C15H13N3O2S (299.07284380000004)
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-3-isoxazolecarboxamide
C15H13N3O2S (299.07284380000004)
Diethyl 2-(2-methylpropylamino)thiophene-3,4-dicarboxylate
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]acetic acid methyl ester
C15H13N3O2S (299.07284380000004)
5-[(2-chlorophenyl)hydrazo]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
3-(2-methylphenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
5-[(2-hydroxy-3-quinolinyl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(4Z)-2-(4-chlorophenyl)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-oxazol-5-one
1-(2-methoxyphenyl)-3-[(E)-(3-methylphenyl)methylideneamino]thiourea
5-methyl-4-phenyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazole
C15H13N3S2 (299.05508580000003)
2-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
C10H13N5O4S (299.0688218000001)
2-(4-Dimethylaminophenyl)-3-(2-pyridyl)thiazolidin-4-one
4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
C15H13N3S2 (299.05508580000003)
(5R,6R)-3-[2-(aminomethylideneamino)ethylthio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C12H17N3O4S (299.09397220000005)
an (S)-7,8,13,14-tetrahydroprotoberberine
C17H17NO4 (299.11575220000003)
(2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3R,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
N-acetyl-D-hexosamine 1-phosphate(2-)
C8H14NO9P-2 (299.04061640000003)
Diosmetin-7-olate
C16H11O6- (299.05556060000004)
A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of diosmetin; major microspecies at pH 7.3.
7-(dimethylamino)-3,4-dioxo-10H-phenoxazine-1-carboxamide
(NZ)-N-[3-(3-nitrophenyl)-1,4-benzothiazin-2-ylidene]hydroxylamine
[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3-chlorobenzoate
Scutellarein-7-olate 4-methyl ether
C16H11O6- (299.05556060000004)
4,8-Dihydroxy-3-methoxyflavone-7-olate
C16H11O6- (299.05556060000004)
N-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybenzamide
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate
N-trans-p-Coumaroyloctopamine
C17H17NO4 (299.11575220000003)
Alkaloid from roots of bell pepper (Capsicum annuum variety grossum). N-trans-p-Coumaroyloctopamine is found in many foods, some of which are orange bell pepper, herbs and spices, eggplant, and red bell pepper. N-trans-p-Coumaroyloctopamine is found in eggplant. N-trans-p-Coumaroyloctopamine is an alkaloid from roots of bell pepper (Capsicum annuum var. grossum). N-trans-p-coumaroyloctopamine is a member of styrenes. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1]. N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L.)[1].
Imipenem
C12H17N3O4S (299.09397220000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams A broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup. C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
N-acetyl-D-glucosamine 6-phosphate(2-)
C8H14NO9P (299.04061640000003)
Dianion of N-acetyl-D-glucosamine 6-phosphate arising from deprotonation of both OH groups of the phosphate.
N-acetyl-alpha-D-glucosamine 1-phosphate(2-)
C8H14NO9P (299.04061640000003)
Dianion of N-acetyl-alpha-D-glucosamine 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
Ethylisopropylamiloride
D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062686 - Epithelial Sodium Channel Blockers D049990 - Membrane Transport Modulators > D026941 - Sodium Channel Blockers > D062646 - Acid Sensing Ion Channel Blockers D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics D020011 - Protective Agents
6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole
2-acetyl-sn-glycero-3-phosphocholine
A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group at position 2 is specified as acetyl.
2-(beta-D-glucopyranosyloxy)benzoate
A benzoate resulting from the removal of a proton from the carboxylic acid group of 2-(beta-D-glucopyranosyloxy)benzoic acid.
(R)-4-Phosphopantothenic acid
An amidoalkyl phosphate that is the 4-phosphate derivative of (R)-pantothenic acid.
N-acetyl-D-mannosamine 6-phosphate(2-)
C8H14NO9P (299.04061640000003)
An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of N-acetyl-D-mannosamine 6-phosphate.
N-acetyl-alpha-D-galactosamine 1-phosphate(2-)
C8H14NO9P (299.04061640000003)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-acetyl-alpha-D-galactosamine 1-phosphate; major species at pH 7.3.
N-acetyl-beta-D-glucosamine 6-phosphate(2-)
C8H14NO9P (299.04061640000003)
Dianion of N-acetyl-beta-D-glucosamine 6-phosphate.
1beta-methylseleno-N-acetyl-D-galactosamine
A monosaccharide derivative that is N-acetyl-beta-D-galactosamine in which the anomeric hydroxy group is replaced by a methylseleno group.
5-Azidomethyl-uridine
C10H13N5O6 (299.08657980000004)
5-Azidomethyl-uridine is a click chemistry reagent containing an azide group.The azide function is widely used for coupling to alkyne-containing fragments via the renowned Click reaction[1]. 5-Azidomethyl-uridine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
Pifithrin-α, p-Nitro, Cyclic
C15H13N3O2S (299.07284380000004)
Pifithrin-α, p-Nitro, Cyclic (PFN-α) is cell-permeable and active-form p53 inhibitor. Pifithrin-α, p-Nitro, Cyclic is one order magnitude more active than Pifithrin-α in protecting cortical neurons exposed to Etoposide (ED50=30 nM). Pifithrin-α, p-Nitro, Cyclic behaves as a p53 posttranscriptional activity inhibitor. Pifithrin-α, p-Nitro, Cyclic do not prevent p53 phosphorylation on the S15 residue[1][2].
(2s,3r,7r,10r)-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),8,13,15(19)-tetraen-12-one
C17H17NO4 (299.11575220000003)
13-(dimethoxymethyl)-8-oxa-15-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),2,4,6,12(16),13-hexaen-4-ol
C17H17NO4 (299.11575220000003)
trimethyl({2-[4-(phosphonooxy)-1h-indol-3-yl]ethyl})azanium
[C13H20N2O4P]+ (299.11606300000005)
6,10,20-triazapentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,4,6,9,11,13(21),14(19),15,17-nonaene-3,8-dione
(2r,3r,4s,5r)-2-(6-amino-2-hydroxy-1-methyl-4h-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
(6e)-3-hydroxy-5-methoxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
7,12-dihydroxy-4,5,5,14-tetramethyl-3-oxa-9-azatetracyclo[6.6.1.0²,⁶.0¹¹,¹⁵]pentadeca-1,6,8(15),11,13-pentaen-10-one
C17H17NO4 (299.11575220000003)
4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-12-one
C17H17NO4 (299.11575220000003)
(2e)-n-[(2r,3ar,7as)-3a-hydroxy-6-oxo-2,3,7,7a-tetrahydro-1-benzofuran-2-yl]-3-phenylprop-2-enimidic acid
C17H17NO4 (299.11575220000003)
2-[(4r)-16-methoxy-5,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,13,15-hexaen-4-yl]propan-2-ol
C17H17NO4 (299.11575220000003)
(3ar,6r,7as)-3a,6-dihydroxy-1-(3-phenylprop-2-enoyl)-3,6,7,7a-tetrahydroindol-2-one
C17H17NO4 (299.11575220000003)
7-methoxy-3,11,21-triazapentacyclo[12.7.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
1,2,3-trimethoxy-10-methylacridin-9-one
C17H17NO4 (299.11575220000003)
5,6,8,9-tetrahydro-1-hydro-4h-cyclopenta[ a]-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzaepin-2(3h)-one
C17H17NO4 (299.11575220000003)
{"Ingredient_id": "HBIN011120","Ingredient_name": "5,6,8,9-tetrahydro-1-hydro-4h-cyclopenta[ a]-[1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzaepin-2(3h)-one","Alias": "NA","Ingredient_formula": "C17H17NO4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21057","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(6-amino-2-chloropurin-9-yl)-3,5-dimethyloxolane-3,4-diol
1,2,4-trimethoxy-10-methylacridin-9-one
C17H17NO4 (299.11575220000003)
4-{2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl}benzene-1,2-diol
C17H17NO4 (299.11575220000003)
(3s)-3-[(4r,5r)-2-(5-chloro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-3-hydroxypropanoic acid
5,9,10-trimethoxy-4-methylbenzo[g]quinolin-2-ol
C17H17NO4 (299.11575220000003)
(2e)-n-[(2s)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enimidic acid
C17H17NO4 (299.11575220000003)
(2s,3r,7r,10s)-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),8,13,15(19)-tetraen-12-one
C17H17NO4 (299.11575220000003)
[(2r,3s,4s)-4-chloro-5-hydroxy-3-(4-hydroxyphenoxy)-3,4-dihydro-2h-pyrrol-2-yl]methyl acetate
3-[(2r,3r,4s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7h-imidazo[4,5-d][1,2,3]triazin-4-one
C10H13N5O6 (299.08657980000004)
3-methoxy-4-(4-methoxyphenyl)-3h-quinoline-2,4-diol
C17H17NO4 (299.11575220000003)
(9r)-9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one
C17H17NO4 (299.11575220000003)
(6r)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one
C17H17NO4 (299.11575220000003)
(2r,3r,4r,5r)-2-(6-amino-2-chloropurin-9-yl)-3,5-dimethyloxolane-3,4-diol
8-amino-9-(c-hydroxycarbonimidoyl)-7-oxophenoxazine-2-carboxylic acid
C14H9N3O5 (299.05421839999997)
2,12,15-triazapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,3(8),4,6,9(21),10,12,14(19),16-nonaene-18,20-dione
(2s)-1-({4-methoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbut-3-en-2-ol
C17H17NO4 (299.11575220000003)
[(5r,6r,7s,8s)-6,7-dihydroxy-8-[(1-hydroxyethylidene)amino]-5-(hydroxymethyl)-5h,6h,7h,8h-imidazo[1,2-a]pyridin-2-yl]acetic acid
1-chloro-n-[(1e,6e)-7,11-dimethyl-3-methylidenedodeca-1,6,10-trien-1-yl]methanecarbonimidoyl chloride
(6s)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one
C17H17NO4 (299.11575220000003)
1-chloro-n-(7,11-dimethyl-3-methylidenedodeca-1,6,10-trien-1-yl)methanecarbonimidoyl chloride
(2z)-3-(3,4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
C17H17NO4 (299.11575220000003)
4-hydroxy-2-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}benzoic acid
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-aminobenzoate
1,3,4-trimethoxy-10-methylacridin-9-one
C17H17NO4 (299.11575220000003)
3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one
C17H17NO4 (299.11575220000003)
(3r,4r)-3-methoxy-4-(4-methoxyphenyl)-3h-quinoline-2,4-diol
C17H17NO4 (299.11575220000003)
5-hydroxy-4-methoxy-11-methyl-2h-[1,3]dioxolo[4,5-c]acridin-6-one
(20r)-20-methyl-1,11,17-triazapentacyclo[10.8.1.0²,⁷.0⁸,²¹.0¹⁴,¹⁹]henicosa-2(7),3,5,8(21),9,11,14,16,18-nonaen-13-one
3-hydroxy-5-methoxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
(2s,3s,10r)-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-12-one
C17H17NO4 (299.11575220000003)
2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
C17H17NO4 (299.11575220000003)
3-{[(2r)-1,2-dihydroxy-3,3-dimethyl-4-(phosphonooxy)butylidene]amino}propanoic acid
1-amino-4,5-dihydroxy-7-methoxy-2-methylanthracene-9,10-dione
(4s)-7,12-dihydroxy-4,5,5,14-tetramethyl-3-oxa-9-azatetracyclo[6.6.1.0²,⁶.0¹¹,¹⁵]pentadeca-1,6,8(15),11,13-pentaen-10-one
C17H17NO4 (299.11575220000003)
[4-chloro-5-hydroxy-3-(4-hydroxyphenoxy)-3,4-dihydro-2h-pyrrol-2-yl]methyl acetate
3-hydroxy-6,10,20-triazapentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(20),2,4,6,9,11,13(21),14(19),15,17-decaen-8-one
(9r)-13-(dimethoxymethyl)-8-oxa-15-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),2,4,6,12(16),13-hexaen-4-ol
C17H17NO4 (299.11575220000003)
(3ar,6r,7as)-3a,6-dihydroxy-1-[(2e)-3-phenylprop-2-enoyl]-3,6,7,7a-tetrahydroindol-2-one
C17H17NO4 (299.11575220000003)
11-hydroxy-4-methoxy-5-methyl-2h-[1,3]dioxolo[4,5-b]acridin-10-one
(18s)-8,14-dihydroxy-4-methyl-3,11-dioxa-15-azatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1,4,7,9,12,14-hexaen-6-one
9-hydroxy-3-methoxy-1,4-dimethylbenzo[g]quinoline-2,5,10-trione
(2e)-3-(3,4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
C17H17NO4 (299.11575220000003)
{6,7-dihydroxy-8-[(1-hydroxyethylidene)amino]-5-(hydroxymethyl)-5h,6h,7h,8h-imidazo[1,2-a]pyridin-3-yl}acetic acid
9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one
C17H17NO4 (299.11575220000003)
3,10,20-triazapentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(20),2(7),4,9,11,13(21),14(19),15,17-nonaene-6,8-dione
6-hydroxy-7,8-dimethoxy-4-methylbenzo[g]quinoline-5,10-dione
2-aminoethoxy((2r)-2,3-bis(acetyloxy)propoxy)phosphinic acid
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-aminobenzoate
4,11-dimethoxy-2h,5h-[1,3]dioxolo[4,5-b]acridin-10-one
4-(hydroxymethyl)-3-methoxy-1-methylbenzo[g]quinoline-2,5,10-trione
n-[(2r,3ar,7as)-3a-hydroxy-6-oxo-2,3,7,7a-tetrahydro-1-benzofuran-2-yl]-3-phenylprop-2-enimidic acid
C17H17NO4 (299.11575220000003)
3-(3,4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
C17H17NO4 (299.11575220000003)
(2r,3r)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
C17H17NO4 (299.11575220000003)
8,14-dihydroxy-4-methyl-3,11-dioxa-15-azatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1,4,7,9,12,14-hexaen-6-one
n-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enimidic acid
C17H17NO4 (299.11575220000003)
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-aminobenzoate
4-[(5s)-2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl]benzene-1,2-diol
C17H17NO4 (299.11575220000003)
5-hydroxy-2-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}benzoic acid
1-({4-methoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbut-3-en-2-ol
C17H17NO4 (299.11575220000003)