Exact Mass: 230.02239
Exact Mass Matches: 230.02239
Found 500 metabolites which its exact mass value is equals to given mass value 230.02239,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Visnagin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2]. Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2].
D-Ribose 5-phosphate
Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
D-Ribulose 5-phosphate
D-Ribulose 5-phosphate is a metabolite in the Pentose phosphate pathway, Pentose and glucuronate interconversions, and in the Riboflavin metabolism (KEGG) [HMDB]. D-Ribulose 5-phosphate is found in many foods, some of which are olive, cocoa bean, common chokecherry, and orange mint. D-Ribulose 5-phosphate is a metabolite in the following pathways: pentose phosphate pathway, pentose and glucuronate interconversions, and riboflavin metabolism (KEGG). Acquisition and generation of the data is financially supported in part by CREST/JST.
Ribose 1-phosphate
Ribose 1-phosphate, also known as alpha-D-ribofuranose 1-phosphate or 1-O-phosphono-A-D-ribofuranose, is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Ribose 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Ribose 1-phosphate can be found in a number of food items such as cassava, capers, pine nut, and wheat, which makes ribose 1-phosphate a potential biomarker for the consumption of these food products. Ribose 1-phosphate can be found primarily in cellular cytoplasm. Ribose 1-phosphate exists in all living species, ranging from bacteria to humans. In humans, ribose 1-phosphate is involved in several metabolic pathways, some of which include pyrimidine metabolism, nicotinate and nicotinamide metabolism, pentose phosphate pathway, and azathioprine action pathway. Ribose 1-phosphate is also involved in several metabolic disorders, some of which include beta ureidopropionase deficiency, gout or kelley-seegmiller syndrome, transaldolase deficiency, and UMP synthase deficiency (orotic aciduria). Ribose 1-phosphate is an intermediate in the metabolism of Pyrimidine and the metabolism of Nicotinate and nicotinamide. It is a substrate for Uridine phosphorylase 2, Phosphoglucomutase, Purine nucleoside phosphorylase and Uridine phosphorylase 1. Ribose 1-phosphate can be formed from guanosine through the action of purine nucleoside phosphorylase. Ribose 1-phosphate can also act as a ribose donor in the synthesis of xanthosine as catalyzed by the same enzyme (purine nucleoside phosphorylase). The presence of guanase, which irreversibly converts guanine to xanthine, affects the overall process of guanosine transformation. As a result of this purine pathway, guanosine is converted into xanthosine, thus overcoming the lack of guanosine deaminase in mammals. The activated ribose moiety in Ribose 1-phosphate which stems from the catabolism of purine nucleosides can be transferred to uracil and, in the presence of ATP, used for the synthesis of pyrimidine nucleotides; therefore, purine nucleosides can act as ribose donors for the salvage of pyrimidine bases. (PMID: 9133638). COVID info from COVID-19 Disease Map Corona-virus KEIO_ID R017 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Guanabenz
C8H8Cl2N4 (230.01259879999998)
Guanabenz is only found in individuals that have used or taken this drug. It is an alpha-2 selective adrenergic agonist used as an antihypertensive agent. [PubChem]Guanabenzs antihypertensive effect is thought to be due to central alpha-adrenergic stimulation, which results in a decreased sympathetic outflow to the heart, kidneys, and peripheral vasculature in addition to a decreased systolic and diastolic blood pressure and a slight slowing of pulse rate. Chronic administration of guanabenz also causes a decrease in peripheral vascular resistance. C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Diazoxide
Diazoxide is only found in individuals that have used or taken this drug. It is a benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group. [PubChem]As a diuretic, diazoxide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like diazoxide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of diazoxide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle. As a antihypoglycemic, diazoxide inhibits insulin release from the pancreas, probably by opening potassium channels in the beta cell membrane. V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AH - Drugs for treatment of hypoglycemia C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DA - Thiazide derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents KEIO_ID D051; [MS2] KO008936 KEIO_ID D051
D-Arabinose 5-phosphate
D-Arabinose 5-phosphate is an intermediate in biosynthesis of lipopolysaccharide. It is reversibly converted to D-ribulose 5-phosphate by arabinose-5-phosphate isomerase (EC 5.3.1.13). Acquisition and generation of the data is financially supported in part by CREST/JST. D-Arabinose 5-phosphate is an intermediate in biosynthesis of lipopolysaccharide. KEIO_ID A147
(E)-4-(3-hydroxy-1H-inden-2-yl)-2-oxobut-3-enoic acid
(Z,4Z)-2-hydroxy-4-(2-oxoindan-1-ylidene)but-2-enoic acid
Bisnoryangonin
Bisnoryangonin is a member of the class of compounds known as styrenes. Styrenes are organic compounds containing an ethenylbenzene moiety. Bisnoryangonin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Bisnoryangonin can be found in a number of food items such as pepper (c. baccatum), celeriac, french plantain, and olive, which makes bisnoryangonin a potential biomarker for the consumption of these food products.
Demeton-S-methyl
C6H15O3PS2 (230.02002099999999)
D-Xylulose-5-phosphate
Xylulose 5-phosphate (Xu-5-P) is a metabolite of the hexose monophosphate pathway that activates protein phosphatase 2A to mediate the acute effects of carbohydrate feeding on the glycolytic pathway, as well as the coordinate long-term control of the enzymes required for fatty acid and triglyceride synthesis. Xu-5-P is the signal for the coordinated control of lipogenesis. Feeding carbohydrate causes levels of liver glucose, Glucose-6-phosphate (Glc-6-P), and Fructose-6-phosphate (Fru-6-P) to rise. Elevation of Fru-6-P leads to elevation of Xu-5-P in reactions catalyzed by the near-equilibrium isomerases of the nonoxidative portion of the hexose monophosphate pathway (ribulose 5-phosphate (Ru5P) epimerase [EC 5.1.3.1], ribose 5-phosphate (Rib5P) isomerase [EC 5.3.1.6], transaldolase [EC 2.2.1.2], and transketolase [EC 2.2.1.1]). The elevation of Xu-5-P is the coordinating signal that both acutely activates phosphofructokinase [PFK; EC 2.7.1.11] in glycolysis and promotes the action of the transcription factor carbohydrate responsive element binding protein (ChREBP) to increase transcription of the genes for the enzymes of lipogenesis, the hexose monophosphate shunt, and glycolysis, all of which are required for the de novo synthesis of fat. (PMID 12721358). D-Xylulose 5-phosphate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4212-65-1 (retrieved 2024-07-16) (CAS RN: 4212-65-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
D-Ribose 5-phosphate
D-Ribose 5-phosphate (CAS: 4300-28-1), also known as R-5-P, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. D-Ribose 5-phosphate exists in all living species, ranging from bacteria to humans. Within humans, D-ribose 5-phosphate participates in a number of enzymatic reactions. In particular, D-ribose 5-phosphate can be biosynthesized from D-ribulose 5-phosphate; which is mediated by the enzyme ribose-5-phosphate isomerase. In addition, D-ribose 5-phosphate can be biosynthesized from D-ribose; which is catalyzed by the enzyme ribokinase. Outside of the human body, D-ribose 5-phosphate has been detected, but not quantified in cow milk and rices. D-Ribose 5-phosphate is both a product and an intermediate of the pentose phosphate pathway. The last step of the oxidative reactions in the pentose phosphate pathway is the production of ribulose 5-phosphate. D-Ribose 5-phosphate is an important intermediate metabolite in the pentose phosphate pathway and in the purine metabolism pathway. The intracellular ribose 5-phosphate concentration is an important determinant of the rate of de novo purine synthesis (PMID:6699001). D-Ribose 5-phosphate is an important intermediate metabolite in the Pentose phosphate pathway (KEGG, map00030) and in the Purine metabolism pathway (KEGG, map00230).; The intracellular ribose 5-phosphate concentration is an important determinant of the rate of de novo purine synthesis. (PMID 6699001). D-Ribose 5-phosphate is found in rice. COVID info from COVID-19 Disease Map KEIO_ID R002 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
beta-L-Arabinose 1-phosphate
beta-L-Arabinose 1-phosphate is an intermediate in UDP-L-arabinose biosynthesis II (from L-arabinose) pathway. Although little is known about the incorporation of arabinose into these polymers or the contribution of the arabinosyl-substituents to the functions of the polymers, it has been demonstrated that arabinose-containing polymers are derived from UDP-L-arabinose, the activated sugar used by arabinosyltransferases. The formation of UDP-L-arabinose occurs via two routes: 1) a salvage pathway leading to the formation of UDP-L-arabinose from free arabinose, and 2) a de novo synthesis route involving the epimerization of UDP-D-xylose by a UDP-D-xylose 4-epimerase. The formation of UDP-L-arabinose at the end of the salvage pathway is achieved by a UDP-L-arabinose pyrophosphorylase. An enzyme with such activity has been purified from pea sprouts. This enzyme (USP for UDP-sugar pyrophosphorylase) was shown to have a broad range of monosaccharide substrates. Beta-L-arabinose 1-phosphate is an intermediate in UDP-L-arabinose biosynthesis II (from L-arabinose) pathway. Although little is known of the incorporation of arabinose into these polymers or the contribution of the arabinosyl-substituents to the functions of the polymers, it has been demonstrated that arabinose-containing polymers are derived from UDP-L-arabinose, the activated sugar used by arabinosyltransferases.
Pancrelipase
Food additive and processing agent. Production by controlled fermentation of Aspergillus niger. Found in milk and milk products. It is used in food processing for flavour improvement, e.g. in cheese. Pancrelipase is a form of enzyme therapy for the treatment of various digestive disorders, primarily exocrine pancreatic insufficiency. It is a mixture of three digestive enzymes, amylase, trypsin, and lipase, which are normally produced by the pancreas. Pancrelipase is a form of pancreatin having a elevated content of lipase. Food additive and processing agent. Production by controlled fermentation of Aspergillus niger. Found in milk and milk products. It is used in food processing for flavour improvement, e.g. in cheese D005765 - Gastrointestinal Agents
D-xylose 5-phosphate
A xylose phosphate that is D-xylose carrying a phosphate group at position 5.
Visnagin
Visnagin is a furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. It has a role as a phytotoxin, an EC 1.1.1.37 (malate dehydrogenase) inhibitor, a vasodilator agent, an antihypertensive agent, an anti-inflammatory agent and a plant metabolite. It is a furanochromone, an aromatic ether and a polyketide. It is functionally related to a 5H-furo[3,2-g]chromen-5-one. Visnagin is a natural product found in Ammi visnaga, Musineon divaricatum, and Actaea dahurica with data available. A furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2]. Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2].
Coriandrin
Constituent of Coriandrum sativum (coriander). Coriandrin is found in coriander and herbs and spices. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Coriandrin is found in coriander. Coriandrin is a constituent of Coriandrum sativum (coriander)
5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene
5-(1-Propynyl)-5-vinyl-2,2-bithiophene is isolated from Tagetes erecta (African marigold). Isolated from Tagetes erecta (African marigold)
Wyeronic acid
Wyeronic acid is found in pulses. Wyeronic acid is isolated from Vicia faba. Isolated from Vicia faba. Wyeronic acid is found in pulses.
6-Methoxy-3-(2-thiazolyl)-1H-indole
6-Methoxy-3-(2-thiazolyl)-1H-indole is found in fats and oils. 6-Methoxy-3-(2-thiazolyl)-1H-indole is from Camelina sativa (false flax) infected with Alternaria brassicae. From Camelina sativa (false flax) infected with Alternaria brassicae. 6-Methoxy-3-(2-thiazolyl)-1H-indole is found in fats and oils.
D-Xylulose 1-phosphate
D-xylulose-1-phosphate is produced in the hepatocytes and is the product of fructokinase (Ketohexokinase, EC 2.7.1.3) phosphorylation of D-xylulose. The cleavage of D-xylulose-1-phosphateglycolaldehyde by aldolase (fructose-bisphosphate aldolase, EC 4.1.2.13) produces glycolaldehyde which is an oxalate precursor. The distribution of both enzymes in human tissues indicates that this reaction sequence occurs mainly in the liver, to a lesser extent in the kidney, and very little in heart, brain and muscle. The kinetic properties of fructokinase show that this enzyme can phosphorylate D-xylulose as readily as D-fructose. (PMID: 6458298, 13898172, 6284103, 2996495) [HMDB]. D-Xylulose 1-phosphate is found in many foods, some of which are mentha (mint), onion-family vegetables, nance, and malus (crab apple). D-Xylulose 1-phosphate is produced in the hepatocytes and is the product of fructokinase (ketohexokinase, EC 2.7.1.3) phosphorylation of D-xylulose. The cleavage of D-xylulose-1-phosphate glycolaldehyde by aldolase (fructose-bisphosphate aldolase, EC 4.1.2.13) produces glycolaldehyde which is an oxalate precursor. The distribution of both enzymes in human tissues indicates that this reaction sequence occurs mainly in the liver, to a lesser extent in the kidney, and very little in heart, brain and muscle. The kinetic properties of fructokinase show that this enzyme can phosphorylate D-xylulose as readily as D-fructose (PMID: 6458298, 13898172, 6284103, 2996495).
2',4'-Dihydroxy-2-biphenylcarboxylic acid
2,4-Dihydroxy-2-biphenylcarboxylic acid is found in herbs and spices. 2,4-Dihydroxy-2-biphenylcarboxylic acid is a constituent of Trifolium repens (white clover) (isolated as the permethyl derivative). Constituent of Trifolium repens (white clover) (isol. as the permethyl deriv.). 2,4-Dihydroxy-2-biphenylcarboxylic acid is found in tea, herbs and spices, and pulses.
3,3'-Dithiobis[4,5-dihydro-2-methylfuran]
3,3-Dithiobis[4,5-dihydro-2-methylfuran] is a component of meat aroma model systems. Cysteine-derived Maillard product. Component of meat aroma model systems. Cysteine-derived Maillard product
3-Phenylpropionic acid sulfate
3-Phenylpropionic acid sulfate is an endogenous phenolic acid metabolite. 3-Phenylpropionic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
2-Imidazolidinone, 4-hydroxy-1-(5-nitro-2-thiazolyl)-
7-Nitro-2,3-Dioxo-2,3-Dihydroquinoxaline-6-Carbonitrile
[(3R)-3,4,5-Trihydroxy-2-oxopentyl] dihydrogen phosphate
4-Oxo-6-(3-pyridyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
2-(3,4-dihydroxybut-1-yn-1-yl)-5-(penta-1,3-diyn-1-yl)thiophene|2-(penta-1,3-diynyl)-5-(3,4-dihydroxybut-1-ynyl)-thiophene|2-(pentadiynyl-1,3)-5-(3,4-dihydroxy-butynyl-1)thiophene|2--5-<3,4-dihydroxy-butin-(1)-yl>-thiophen|2-Hydroxy-4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol|4-(5-penta-1,3-diynyl-thiophen-2-yl)-but-3-yne-1,2-diol|4-[5-(penta-1,3-diyn-1-yl)-2-thienyl]-but-3-yne-1,2-diol
C13H10O2S (230.04014800000002)
5-Methyl-5--2,2-bithienyl|5-<3-Buten-1-inyl>-5-methyl-2,2-bithiophen|5-But-3-en-1-inyl-5-methyl-<2,2>bithienyl|5-but-3-en-1-ynyl-5-methyl-[2,2]bithiophenyl|5-Methyl-5-but-3-en-1-inyl-<2,2>-bithienyl|5-Methyl-5-but-3-en-1-inyl-<2,2>bithienyl
3-hexa-3t,5-dien-1-ynyl-6-prop-1-ynyl-[1,2]dithiine|Thiarubrin C
3-Hydroxy -6-[2-(4-Hyroxyphenyl)-2H-pyran-2-one|6-(3,4-Dihydroxy-trans-styryl)-2-pyron
Me ester-(1S, 5R, E)-5-Chloro-1-hydroxy-4-oxo-2-(2-propenyl)-2-cyclopentene-1-carboxylic acid
3-Chloro-2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester
1,10-epithio-7,9-tridecadiene3-,5,11-triyne-1,2-diol|1-[4-[5-(1-Propynyl)-2-thienyl]-1,3-butadiynyl]-1,2-ethanedol|2-(1-propynyl)-5-(5,6-dihydroxyhex-3-yn-1-ynyl)-thiophene|2-(prop-1-inyl)-5-(5,6-dihydroxyhexa-1,3-diinyl)-thiophene|thiophene A diol
C13H10O2S (230.04014800000002)
7-amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
6-Benzo[1,3]dioxol-5-yl-4-methyl-pyran-2-on|6-benzo[1,3]dioxol-5-yl-4-methyl-pyran-2-one
2-(3-amino-3-carboxy-propyl)-thiazole-4-carboxylic acid
1-Hydroxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-
(1RS)-1-[5-(hepta-1,3,5-triynyl)thiophen-2-yl]ethane-1,2-diol|rhapontiynethiophene B
C13H10O2S (230.04014800000002)
SARS-CoV MPro-IN-2
4-methoxy-7-methylfuro[3,2-g]chromen-5-one
diazoxide
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AH - Drugs for treatment of hypoglycemia C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DA - Thiazide derivatives C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
Visnagin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2]. Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2].
2,4,4-Trihydroxybenzophenone
CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3725; ORIGINAL_PRECURSOR_SCAN_NO 3722 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3734; ORIGINAL_PRECURSOR_SCAN_NO 3730 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3744; ORIGINAL_PRECURSOR_SCAN_NO 3742 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3719; ORIGINAL_PRECURSOR_SCAN_NO 3716 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3743; ORIGINAL_PRECURSOR_SCAN_NO 3740 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3761; ORIGINAL_PRECURSOR_SCAN_NO 3759
2,3,4-Trihydroxbenzophenone
A benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator. CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3725; ORIGINAL_PRECURSOR_SCAN_NO 3722 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3734; ORIGINAL_PRECURSOR_SCAN_NO 3730 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3744; ORIGINAL_PRECURSOR_SCAN_NO 3742 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3719; ORIGINAL_PRECURSOR_SCAN_NO 3716 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3743; ORIGINAL_PRECURSOR_SCAN_NO 3740 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3761; ORIGINAL_PRECURSOR_SCAN_NO 3759
Hydroxypyruvic acid dimethyl ketal phosphate tri(cyclohexylammonium) salt
Coriandrin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Bis(2-methyl-4,5-dihydro-3-furyl) disulfide
A member of the class of dihydrofurans that is disulfane in which both hydrogens are substituted by 2-methyl-4,5-dihydrofuran-3-yl groups. It is a flavouring agent found in meat.
(E)-3-(hexa-3,5-dien-1-yn-1-yl)-6-(prop-1-yn-1-yl)-1,2-dithiine
2-phenyl-3-(2-thienyl)acrylic acid
C13H10O2S (230.04014800000002)
4-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL)-PHENOL
C8H5F3N4O (230.04154359999998)
Sulfamide, (6,7-dihydro-6-oxo-1H-purin-2-yl)- (9CI)
2-(4-(METHYLSULFONYL)PHENYL)-2-OXOACETALDEHYDE HYDRATE
6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
tert-butyl 3-chloro-4-fluorobenzoate
C11H12ClFO2 (230.05098139999998)
(2-AMINO-2-PHENYLETHYL)DIMETHYLAMINE
C9H11ClN2OS (230.02805859999998)
N-Methyl-N-[4-(methylsulfonyl)-2-nitrophenyl]amine
(3-TRIFLUOROMETHYLPHENYLMETHANESULFONYL)-ACETICACID
5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
POTASSIUM (5-AMINO-2-METHOXYPYRIDIN-3-YL)TRIFLUOROBORATE
C6H7BF3KN2O (230.02405779999998)
5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
4,4,4-trifluoro-1-(2-methylphenyl)butane-1,3-dione
1,3-Butanedione,4,4,4-trifluoro-1-(3-methylphenyl)-
2,4-DICHLORO-1,2,3,4-TETRAHYDRO-6,7-DIMETHYLQUINAZOLINE
2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBONYL CHLORIDE HYDROCHLORIDE
C9H8Cl2N2O (230.00136579999997)
2,3,4,5-TETRACHLORO-6-(CYANOMETHYL)PHENYLACETONITRILE
C13H10O2S (230.04014800000002)
1-(3,4-DICHLORO-PHENYL)-3-AZA-BICYCLO[3.1.0]HEXANEHCL
4-Chloro-2-(1-piperidino)-5-thiazolecarboxaldehyde
C9H11ClN2OS (230.02805859999998)
1-methylbenzimidazole-5-carbonyl chloride,hydrochloride
C9H8Cl2N2O (230.00136579999997)
Hydrazinecarboximidamide,2-[(2,4-dichlorophenyl)methylene]-
C8H8Cl2N4 (230.01259879999998)
3-(4-Fluorophenylthio)-2-hydroxy-2-methylpropanoic acid
4-HYDROXY-4-PHENYL-2-TRIFLUOROMETHYLBUTYRICACIDLACTONE
1-(3,4-Dichlorophenyl)-3-methylurea
C9H8Cl2N2O (230.00136579999997)
2-(7-CHLORO-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
5-(Trifluoromethyl)-1H-benzo[d]imidazole-2-carboxylic acid
TRANDOLAPRIL/(2S,3AR,7AS)-1-[(2S)-2-[[(1S)-1-ETHOXYCARBONYL-3-PHENYL-PROPYL]AMINO]PROPANOYL]-2,3,3A,4,5,6,7,7A-OCTAHYDROINDOLE-2-CARBOXYLICACID
5-(4-CHLOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
C12H7ClN2O (230.02468819999999)
t-Butyl 4-chloro-2-fluorobenzoate
C11H12ClFO2 (230.05098139999998)
4-BROMO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOLE
C8H11BrN2O (230.00546959999997)
2-[(5-Bromopyridin-2-yl)methylamino]ethanol
C8H11BrN2O (230.00546959999997)
6,7-dichloro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one
C9H8Cl2N2O (230.00136579999997)
2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
Butanedioic acid,1-(phenylmethyl) ester, sodium salt (1:1)
4-(1,3-Dioxolan-2-yl)-2,6-difluorophenylboronic acid
Benzoic acid,4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
6-(4-chlorophenoxy)pyridine-3-carbonitrile
C12H7ClN2O (230.02468819999999)
1-(CHLORODIFLUOROMETHYL)-4-(TRIFLUOROMETHYL)BENZENE
2,3-Dihydro-thieno[3,4-b]-1,4-dioxin-5,7-dicarboxylic acid
4,5-DIHYDRONAPHTHO[1,2]THIOPHENE-2-CARBOXYLIC ACID
C13H10O2S (230.04014800000002)
4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLHYDRAZINE HYDROCHLORIDE
5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine
C8H11BrN2O (230.00546959999997)
2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLHYDRAZINE HYDROCHLORIDE
4-Fluoro-2-(trifluoromethyl)phenylhydrazine hydrochloride
2-AMINOBENZO[D]THIAZOLE-6-CARBOXYLIC ACID HYDROCHLORIDE
2-((5-Bromo-4-methylpyridin-2-yl)amino)ethanol
C8H11BrN2O (230.00546959999997)
6-Ethyl-2-(Methylsulfonyl)pyrimidine-4-carboxylic acid
6-Chloro-3-phenyl[1,2,4]triazolo[4,3-B]pyridazine
7-chloro-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
2-(PYRIDIN-4-YL)-5,6-DIHYDROBENZO[D]THIAZOL-7(4H)-ONE
1H-IMIDAZOLE, 2-(4-FLUOROPHENYL)-5-(TRIFLUOROMETHYL)-
2-[(2-Amino-4-bromophenyl)amino]ethanol
C8H11BrN2O (230.00546959999997)
1-(4-TRIFLUOROMETHYL-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
6-Phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
6-Chloro-5-nitro-3-pyridinecarboxylic acid ethyl ester
[2-(3-Bromophenoxy)ethyl]hydrazine
C8H11BrN2O (230.00546959999997)
2-(6-chloropyridin-3-yl)-1,3-benzoxazole
C12H7ClN2O (230.02468819999999)
2-(Trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
5-Chloro-3-(2-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine
Thieno[2,3-b]quinoxaline-2-carboxylic acid
C11H6N2O2S (230.01499760000002)
methyl 2-(methanesulfonamido)pyridine-3-carboxylate
1-(2-CHLORO-BENZYL)-PIPERIDINE-4-CARBOXYLICACIDHYDROCHLORIDE
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
nonylmagnesium bromide 1.0m solution i&
C9H19BrMg (230.05205339999998)
1-Bromo-3-fluoro-5-(2-methyl-2-propanyl)benzene
C10H12BrF (230.01063439999996)
2-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLIC ACID
4-Chloro-3-(4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine
3-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
7-CHLORO-6-(HYDROXYMETHYL)-2H-PYRIDO[3,2-B][1,4]THIAZIN-3(4H)-ONE
2-chloro-6-propylsulfanylpyridine-4-carboxamide
C9H11ClN2OS (230.02805859999998)
2-chloropyrimido[2,1-a]isoquinolin-4-one
C12H7ClN2O (230.02468819999999)
5-Borono-4-chloro-2-methoxybenzoic acid
C8H8BClO5 (230.01532980000002)
5-bromo-N-(2-methoxyethyl)pyridin-2-amine
C8H11BrN2O (230.00546959999997)
1-ACETYL-1H-FURO[3,4:4,5]BENZO[1,2-D]IMIDAZOLE-5,7-DIONE
Nickel(2+),hexaammine-, chloride (1:2), (OC-6-11)-
Cl2H18N6Ni (230.03233980000002)
1-[(2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride
2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
2-Hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzaldehyde
tert-Butyl 2-chloro-5-fluorobenzoate
C11H12ClFO2 (230.05098139999998)
(4-BROMO-2-FORMYL-PHENOXY)-ACETICACIDTERT-BUTYLESTER
C8H11BrN2O (230.00546959999997)
tert-Butyl2-chloro-4-fluoroBenzoate
C11H12ClFO2 (230.05098139999998)
2,6-Dichloro-9-isopropyl-9H-purine
C8H8Cl2N4 (230.01259879999998)
5-(3-TRIFLUOROMETHOXYPHENYL)-1H-TETRAZOLE
C8H5F3N4O (230.04154359999998)
TERT-BUTYL [5-(HYDROXYMETHYL)-1,3-OXAZOL-2-YL]-CARBAMATE
1-(2,5-DICHLORO-4-NITROPHENYL)-2,5-DIMETHYL-1H-PYRROLE
(4-(Methylsulfonyl)Morpholin-2-yl)Methanamine hydrochloride
1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
4-BROMO-1-(TETRAHYDRO-2H-PYRAN-4-YL)-1H-PYRAZOLE
C8H11BrN2O (230.00546959999997)
2-BROMO-4-(TERT-BUTYL)-1-FLUOROBENZENE
C10H12BrF (230.01063439999996)
5-BROMO-2-METHOXY-BENZYL-HYDRAZINE
C8H11BrN2O (230.00546959999997)
5-O-Phosphono-Beta-D-Ribofuranose
A D-ribofuranose 5-phosphate with an beta-configuration at anomeric position.
8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione
({2-[(5-Methylisoxazol-3-yl)amino]-2-oxoethyl}thio)acetic acid
6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione
4-Acetyl-3-methyl-5-(methylsulfanyl)-2-thiophenecarboxylic acid
[Chloro(phenylsulfanyl)methyl](trimethyl)silane
C10H15ClSSi (230.03522199999998)
beta-D-arabinofuranose 5-phosphate
An D-arabinose 5-phosphate that is beta-D-arabinofuranose attached to a phosphate group at position 5.
5-fluoro-5-deoxy-D-ribulose 1-phosphate
C5H8FO7P-2 (229.99916799999997)
5-fluoro-5-deoxy-D-ribose 1-phosphate
C5H8FO7P-2 (229.99916799999997)
2-hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoic acid
(2,2,3-Trihydroxy-4-oxopentyl) dihydrogen phosphate
[2,4-Dihydroxy-2-(hydroxymethyl)-3-oxobutyl] dihydrogen phosphate
D-Ribose 1-phosphate
A ribose monophosphate that is D-ribose substituted at position 1 by a phosphate group.
Nocardione A
A naphthofuran that is 2,3-dihydronaphtho[1,2-b]furan-4,5-dione substitutd by a hydroxy group at position 6 and a methyl group at position 2. It is isolated from Norcardia sp.TC-A0248 and acts as a protein tyrosine phosphatase inhibitor.
2-hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoic acid
3-Chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
(2E,4Z)-4-(carboxymethylene)-5-hydroxyhept-2-enedioic acid
[4-[(E)-3-hydroxyprop-1-enyl]phenyl] hydrogen sulate
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] hydrogen sulate
[(E)-3-(2-hydroxyphenyl)prop-2-enyl] hydrogen sulate
[(E)-3-(3-hydroxyphenyl)prop-2-enyl] hydrogen sulate
[3-[(E)-3-hydroxyprop-1-enyl]phenyl] hydrogen sulate
2,2,3,3,3-pentafluoro-N-(4H-1,2,4-triazol-4-yl)propanamide
C5H3F5N4O (230.02270079999997)
3-[N-(Pentafluoropropionyl)amino]-3H-1,2,4-triazole
C5H3F5N4O (230.02270079999997)
5-Chloro-3,7-bis(hydroxymethyl)-2-methoxycyclohepta-2,4,6-trien-1-one
[3-(Bromomethyl)-2,2-dimethyl-3-cyclopenten-1-yl]acetaldehyde
guanabenz
C8H8Cl2N4 (230.01259879999998)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
D-Ribulose 5-phosphate
The D-enantiomer of ribulose 5-phosphate that is one of the end-products of the pentose phosphate pathway.
α-D-Ribose-5-phosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
D-Arabinose 5-phosphate
The 5-phospho derivative of D-arabinose. It is an intermediate in the synthesis of lipopolysaccharides.
Ribose-1-phosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
D-Ribofuranose 5-phosphate
The furanose form of D-ribose 5-phosphate. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-METHOXYCAMALEXIN
An indole phytoalexin that is camalexin in which the hydrogen at position 6 on the indole fragment has been replaced by a methoxy group.
(2Z,4E)-3-(2-carboxy-1-hydroxyethyl)-2,4-hexadienedioic acid
A tricarboxylic acid that is hexa-2,4-dienedioic acid which is substituted at position 3 by a 2-carboxy-1-hydroxyethyl group (the 2Z,4E isomer; a mixture of isomers at the carbon bearing the alcoholic hydroxy group). It has been produced from trans-caffeic acid using Aspergillus niger, but the conversion rate was increased 3.5 times by using a coculture of Streptomyces coelicolor and Aspergillus niger.
alpha-D-ribofuranose 5-phosphate
A D-ribofuranose 5-phosphate with an alpha-configuration at anomeric position.
aldehydo-D-ribose 5-phosphate
The acyclic form of D-ribose 5-phosphate.
D-arabinofuranose 5-phosphate
The furanose form of D-arabinose 5-phosphate.
(2r)-6-[5-(prop-1-yn-1-yl)thiophen-2-yl]hexa-3,5-diyne-1,2-diol
C13H10O2S (230.04014800000002)
6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-2-one
(3r)-3-hydroxy-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
8,9-epoxy-7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-2-en-4-ol
{"Ingredient_id": "HBIN013594","Ingredient_name": "8,9-epoxy-7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-2-en-4-ol","Alias": "NA","Ingredient_formula": "C13H10O4","Ingredient_Smile": "NA","Ingredient_weight": "230.222","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7390","PubChem_id": "NA","DrugBank_id": "NA"}
methyl (1r,5r)-5-chloro-1-hydroxy-4-oxo-2-[(1e)-prop-1-en-1-yl]cyclopent-2-ene-1-carboxylate
[(2r,3s,4s,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxyphosphonic acid
(1s)-1-hydroxy-1h,3h,4h-naphtho[2,3-c]pyran-5,10-dione
(1s,2s,3'r,4z,5r)-4-(hexa-2,4-diyn-1-ylidene)-3'h-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-furan]-3'-ol
(2s)-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yne-1,2-diol
C13H10O2S (230.04014800000002)
{5-[4-(furan-2-yl)but-3-en-1-yn-1-yl]thiophen-2-yl}methanol
C13H10O2S (230.04014800000002)
methyl 5-chloro-1-hydroxy-4-oxo-2-(prop-1-en-1-yl)cyclopent-2-ene-1-carboxylate
{5-[(3e)-4-(furan-2-yl)but-3-en-1-yn-1-yl]thiophen-2-yl}methanol
C13H10O2S (230.04014800000002)
3-(hexa-3,5-dien-1-yn-1-yl)-6-(prop-1-yn-1-yl)-1,2-dithiine
6-[5-(prop-1-yn-1-yl)thiophen-2-yl]hexa-3,5-diyne-1,2-diol
C13H10O2S (230.04014800000002)
4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yne-1,2-diol
C13H10O2S (230.04014800000002)