Exact Mass: 331.1856
Exact Mass Matches: 331.1856
Found 500 metabolites which its exact mass value is equals to given mass value 331.1856,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tetramethrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
Bucharaine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 1.132 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.131 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.129 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.128
(+)-Mahanimbine
(±)-Mahanimbine is found in herbs and spices. (±)-Mahanimbine is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). (±)-Mahanimbine is found in herbs and spices.
Salmefamol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
(+)-Mahanimbicine
(+)-Mahanimbicine is found in herbs and spices. (+)-Mahanimbicine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree (+)-Mahanimbicine is a member of carbazoles. (+)-Mahanimbicine is a natural product found in Murraya koenigii with data available.
(±)-Currayangine
Currayangine is a member of phenanthridines. Curryangine is a natural product found in Murraya koenigii and Murraya paniculata with data available. (±)-Currayangine is found in herbs and spices. (±)-Currayangine is an alkaloid from the leaves and stem bark of Murraya koenigii (curryleaf tree
Alitame
Alitame is a sweetening agent. It is intensely sweet, approximately 2000 times sweeter than sucrose. Its use is currently (1999) permitted in Australia, New Zealand, Indonesia and China. Alitame is an artificial sweetener developed by Pfizer in the early 1980s and currently marketed in some countries under the brand name Aclame. Like aspartame, alitame is an aspartic acid-containing dipeptide. Most dipeptides are not sweet, but the unexpected discovery of aspartame in 1965 led to a search for similar compounds that shared its sweetness. Alitame is one such second-generation dipeptide sweetener. Neotame, developed by the owners of the NutraSweet brand, is another. Sweetening agent. Intensely sweet, approx. 2000 x sucrose. Use currently (1999) permitted in Australia, New Zealand, Indonesia and China
Isomurrayazoline
Isomurrayazoline is found in herbs and spices. Isomurrayazoline is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree
Currayanine
Currayanine is found in herbs and spices. Currayanine is an alkaloid from the leaves and stem bark of Murraya koenigii (curryleaf tree
Pandamarilactone 31
Pandamarilactone 31 is a food flavouring. Pandamarilactone 31 is an alkaloid from leaves of Pandanus amaryllifolius. Food flavouring. Alkaloid from leaves of Pandanus amaryllifolius
Bicyclomahanimbine
Bicyclomahanimbine is found in herbs and spices. Bicyclomahanimbine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree
Bicyclomahanimbicine
Bicyclomahanimbicine is found in herbs and spices. Bicyclomahanimbicine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree
2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam
2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam is found in herbs and spices. 2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam is isolated from a commercial sample of catnip oil (Nepeta cataria). Isolated from a commercial sample of catnip oil (Nepeta cataria). 2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam is found in tea and herbs and spices.
Marimastat
Marimastat is only found in individuals that have used or taken this drug. It is used in the treatment of cancer, Marmiastat is an angiogenesis and metastasis inhibitor. As an angiogenesis inhibitor it limits the growth and production of blood vessels. As an antimetatstatic agent it prevents malignant cells from breaching the basement membranes.Marimastat is a broad spectrum matrix metalloprotease inhibitor. It mimics the peptide structure of natural MMP substrates and binds to matrix metalloproteases, thereby preventing the degradation of the basement membrane by these proteases. This antiprotease action prevents the migration of endothelial cells needed to form new blood vessels. Inhibition of MMPs also prevents the entry and exit of tumor cells into existing blood cells, thereby preventing metastasis. C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C1970 - Matrix Metalloproteinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D004791 - Enzyme Inhibitors
5-hydroxy saxagliptin
5-hydroxy saxagliptin is a metabolite of saxagliptin. Saxagliptin, previously identified as BMS-477118, is a new oral hypoglycemic of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. Early development was solely by Bristol-Myers Squibb; in 2007 AstraZeneca joined with Bristol-Myers Squibb to co-develop the final compound and collaborate on the marketing of the drug. A New Drug Application for saxagliptin in the treatment of type 2 diabetes was submitted to the FDA in June 2008. (Wikipedia)
3-methyloctanedioylcarnitine
3-methyloctanedioylcarnitine is an acylcarnitine. More specifically, it is an 3-methyloctanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-methyloctanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-methyloctanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2,4-dimethylheptanedioylcarnitine
2,4-dimethylheptanedioylcarnitine is an acylcarnitine. More specifically, it is an 2,4-dimethylheptanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 2,4-dimethylheptanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2,4-dimethylheptanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxyoct-2-enedioylcarnitine
6-hydroxyoct-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxyoct-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxyoct-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxyoct-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxyoct-3-enedioylcarnitine
6-hydroxyoct-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an 6-hydroxyoct-3-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-hydroxyoct-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-hydroxyoct-3-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-Hydroxyoct-3-enedioylcarnitine
7-hydroxyoct-3-enedioylcarnitine is an acylcarnitine. More specifically, it is an 7-hydroxyoct-3-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 7-hydroxyoct-3-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-hydroxyoct-3-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-Hydroxyoct-4-enedioylcarnitine
7-hydroxyoct-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an 7-hydroxyoct-4-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 7-hydroxyoct-4-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 7-hydroxyoct-4-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
5-Hydroxyoct-2-enedioylcarnitine
5-hydroxyoct-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxyoct-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-hydroxyoct-2-enedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-hydroxyoct-2-enedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Nonanedioylcarnitine
nonanedioylcarnitine is an acylcarnitine. More specifically, it is an nonanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. nonanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nonanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2H-1,2-Oxazin-3(4H)-one, 4-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)dihydro-2-methyl-
4-(4-Fluorophenyl)-3-(4-hydroxy-3-methoxyphenoxymethyl)piperidine
Prizidilol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
N-Methoxy-3-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-pyrrolidone
16alpha, 17-epoxy gibberellin A9
16alpha, 17-epoxy gibberellin a9 is also known as 16α, 17-epoxy ga9. 16alpha, 17-epoxy gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 16alpha, 17-epoxy gibberellin a9 can be found in a number of food items such as mugwort, natal plum, radish, and prickly pear, which makes 16alpha, 17-epoxy gibberellin a9 a potential biomarker for the consumption of these food products. 16α, 17-epoxy gibberellin a9 is also known as 16α, 17-epoxy ga9. 16α, 17-epoxy gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 16α, 17-epoxy gibberellin a9 can be found in a number of food items such as mugwort, natal plum, radish, and prickly pear, which makes 16α, 17-epoxy gibberellin a9 a potential biomarker for the consumption of these food products.
3,7-Dihydro-3,10-dimethyl-3-(4-methyl-3-pentenyl)pyrano[2,3-c]carbazole
N-(3,4-Dimethoxybenzyl)-2-(3,4-dimethoxyphenyl)ethanamine
Aad(-Ala-D-Val)|L,L,D-alpha-aminodipoyl-alanyl-valine
15,16-ethane-1,2-diyldioxy-3beta-methoxy-(6xi)-erythrinan-2alpha-ol|Erythratin
3,3,5,7-tetramethyl-1,2,3,4,5,13-hexahydro-1,5;2,4-dimethano-oxocino[3,2-a]carbazole|Bicyclomahamimbin|Bicyclomahanimbin
3,3,5,10-tetramethyl-1,2,3,4,5,13-hexahydro-1,5;2,4-dimethano-oxocino[3,2-a]carbazole|Bicyclomahanimbicin
12-methoxy-kesselringane-2,11beta-diol|Kesselringin|kesselringine|O-Methyl-kesselringin
(8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide|dehydroretrofractamide C
5,5,7-trimethyl-2-methylene-1,2,3,4,4a,5,13,13c-octahydro-isochromeno[4,3-a]carbazole|Murrayazolidin
Lotusine hydroxide
Lotusine (hydroxide) is a pure alkaloid extracted from the green seed embryo of Nelumbo nucifera Gaertn. Lotusine (hydroxide) shows effects on the action potentials in myocardium and slow inward current in cardiac Purkinje fibers[1].
Alitame
CONFIDENCE standard compound; INTERNAL_ID 5808
2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid
C23H25NO_Pyrano[3,2-a]carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)
2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based on: CCMSLIB00000847807]
2-[2-[(2-acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid [IIN-based: Match]
4-(4-Fluorophenyl)-3-(4-methoxy-3-hydroxyphenoxymethyl)piperidine
Marimastat
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C1970 - Matrix Metalloproteinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D004791 - Enzyme Inhibitors
Bicyclomahanimbicine
Bicyclomahanimbine
curryangin
(+)-Mahanimbicine
Isomurrayazoline
Curryanine
2-[Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]nepetalactam
Pandamarilactone 31
(4-hydroxypiperidin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
1-(4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)PIPERAZIN-1-YL)ETHANONE
4-[(3-acetoxypropyl)amino]-2,2-dimethyl-4-oxobutane-1,3-diyl diacetate
Esmolol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Esmolol hydrochloride is a beta adrenergic receptor blocker.
4-(4-benzylpiperidin-1-yl)quinazoline-6-carbaldehyde
2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
tert-Butyl 4-(3-oxo-3-phenylpropanoyl)piperidine-1-carboxylate
Uracil,6-amino-5-[2-(benzylmethylamino)acetamido]-1,3-dimethyl- (6CI)
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL PIPERIDINE-1-CARBOXYLATE
3,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
TERT-BUTYL 4-(3-METHYL-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE
(2S,4R)-1-Boc-4-(tert-butyldimethylsilyloxy)-2-(hydroxyMethyl)pyrrolidine
Hydroxy Saxagliptin
D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
3-DIMETHYLAMINO-2-[1-(4-METHOXY-BENZYL)-1H-TETRAZOL-5-YL]-ACRYLIC ACID ETHYL ESTER
4-(Tetrahydrofurfurylaminocarbonyl)benzeneboronic acid pinacol ester
Acetamide, N-[1-[tris(1-methylethyl)silyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-
1-Benzyl 3-ethyl 3-allyl-1,3-piperidinedicarboxylate
1-Benzyl-4-(piperidin-4-yl)piperazine dihydrochloride
3-DIMETHYLAMINO-2-[2-(4-METHOXY-BENZYL)-2H-TETRAZOL-5-YL]-ACRYLIC ACID ETHYL ESTER
1-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]piperidin-4-yl]imidazolidin-2-one
Methyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate
1-(4-TOLUENENSULFONYLAMINO)-2,6-DIISOPROPYLBENZENE
1-(4-morpholinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Ethanone
2-Phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
(1-methylpiperidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
azanium,butyl prop-2-enoate,ethyl prop-2-enoate,2-methylprop-2-enoate
Benzenemethanamine,N-[bis(4-methoxyphenyl)methylene]-
ethyl 3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-2-yl]propanoate
TERT-BUTYL 2-(2-ETHOXY-1,1-DIMETHYL-2-OXOETHYL)-1H-INDOLE-1-CARBOXYLATE
2-[[(3R,4S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-4-yl]oxy]-N,N-dimethyl-ethanamine
Anastrozole IMpurity (alfa1 , alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-Benzenediacetic acid)
2-Isopropoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
N-(tetrahydro-2H-pyran-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
3-(Tetrahydrofurfurylaminocarbonyl)benzeneboronic acid pinacol ester
ETHYL 4-(BENZYLOXYCARBONYLAMINO)BICYCLO[2.2.2]OCTANE-1-CARBOXYLATE
(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
Centhaquine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine
1-[(2r)-2-Aminobutanoyl]-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
N-1H-imidazol-2-yl-N-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
6-([5-Quinolylamino]methyl)-2,4-diamino-5-methylpyrido[2,3-D]pyrimidine
(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
(1R,2R,5S,8S,9S,10R,11S)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
N-(6-Ethyl-1-oxoindan-4-ylcarbonyl)isoleucine methyl ester
(1R,2R,5R,8R,9S,10R,11S,13R)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
(1R,2R,5R,8R,9S,10R,11R,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
4-{3-[(1E,3E,5E,8E,10E,12R)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoate
(1R,2S,4R,5R,8R,9S,11S)-9-formyl-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate
(3E)-3-[(2S)-1-hydroxy-2,4-dimethylhexylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
(3Z)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methoxypyrrolidin-2-one
(-)-trans-4-[4-(4-Fluorophenyl)-3-piperidinylmethoxy]-2-methoxyphenol(Paroxetine metabolite)
(4Z)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyloxazinan-3-one
3-(2,6-Dimethylpiperidin-1-yl)-5-{(E)-[hydroxy(4-methoxyphenyl)methylidene]amino}-1,2,3-oxadiazol-3-ium
(8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide
A natural product found in Piper boehmeriaefolium.
Leu-Leu-Ser
A tripeptide composed of two L-leucine units and L-serine joined in sequence by peptide linkages.
gibberellin A4(1-)
A gibberellin carboxylic acid anion that is the conjugate base of gibberellin A4, obtained by deprotonation of the carboxy group.
1-(3-Methoxyphenyl)-3-[(1,7,7-trimethylnorbornan-2-ylidene)amino]thiourea
N-[4-(1-piperidinyl)phenyl]-2-quinolinecarboxamide
2-(3,5-Dimethyl-1-pyrazolyl)-4-(4-morpholinyl)-5-pyrimidinecarboxylic acid ethyl ester
1-tert-butyl-3-(naphthalen-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Propenzolate
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
1-(3,4-Dimethylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
5-(4-Methylpiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
1-[[3-(2-Fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
4-Anilino-4-oxobutanoic acid (4-tert-butylcyclohexyl) ester
5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate
An epoxy hydroxyeicosapentaenoate anion arising from deprotonation of the carboxylic acid function of 5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoic acid; major species at pH 7.3.
6-[2-(1-azepanyl)-2-oxoethoxy]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
(1R,3aR,4S,4aR,7R,7aR,8aS)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylate
4-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoate
(5S,6S)-epoxy-(18S)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate
(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,10,13,17-tetraen-1-oate
Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride
4-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-2-(hydroxymethyl)phenol
N-{5-ethyl-1-[2-(morpholin-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide
(5Z,13E,15S,17Z)-15-hydroxy-9-oxoprosta-5,8(12),13,17-tetraen-1-oate
(5Z)-7-{(1S,5R)-5-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-4-oxocyclopent-2-en-1-yl}hept-5-enoate
11-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]undecanoate
Delta(12)-prostaglandin J3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of Delta(12)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.
10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxodecanoate
(9R)-9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxodecanoate
(10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyundecanoate
(2S)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpiperidine-1-carboxamide
2-[2-[(2-Acetamido-4-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoic acid
2-(2-Hydroxyethoxy)-N-(2-diethylaminoethyl)-4-quinolinecarboxamide
Ethyl (4R*,5R*)-(E)-5-(carbamoyl)oxy-4-(triethylsilyl)oxy-2-hexenoate
2-Trimethylsilyloxy-N-(2-(ethylamino)ethyl)-4-quinolinecarboxamide
Methyl (4S,5S)-(Z)-5-(carbamoyl)oxy-4-(triethylsilyl)oxy-3-methyl-2-hexenoate
2-(3-Hydroxybutoxy)-N-[2-(ethylamino)ethyl]-4-quinolinecarboxamide
2-(3-Hydroxybutoxy)-N-(2-(dimethylamino)ethyl)-4-quinolinecarboxamide
Tetramethrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents > P03BA - Pyrethrines D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
prostaglandin A3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin A3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Salmefamol
prostaglandin J3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.
oscr#18(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#18, obtained by deprotonation of the carboxy group; major species at pH 7.3.
sordaricin(1-)
A 3-oxo monocarboxylic acid anion that is the conjugate base of sordaricin, arising from deprotonation of the carboxy group; major species at pH 7.3.
prostaglandin B3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate
A 5(),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate in which the 12-hydroxy group has S-configuration.
Acid Ceramidase-IN-1
Acid Ceramidase-IN-1 is a potent and oral bioavailable acid ceramidase (AC, ASAH-1) inhibitor (hAC IC50=0.166 μM). Acid Ceramidase-IN-1 has excellent brain penetration in mice[1].
3,10-dimethyl-3-(4-methylpent-3-en-1-yl)-7h-pyrano[2,3-c]carbazole
(3r)-3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole
(14s,19r)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1²,¹⁷.0⁵,²⁰.0⁶,¹¹.0¹⁴,¹⁹]henicosa-1,3,5(20),6(11),7,9-hexaene
(3r,5r,7s,10s,11e,13s)-10,15-dihydroxy-3,6,6,10,16-pentamethyl-14-azatricyclo[11.2.1.0⁵,⁷]hexadeca-1(16),11,14-trien-2-one
(1s,8s,10r,17s)-4,5,8-trimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraene
5-[2-(5-hydroxy-2h-pyrrol-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
(1r,2s,4s,6s,7r,8r,10s,11r,12r)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadec-13-ene-6,8,12-triol
[(1s)-1-[5-(1h-indol-3-yl)-1,3-oxazol-2-yl]-2-phenylethyl]dimethylamine
6-methoxy-6-methyl-1-[4-(4-methyl-5-oxofuran-2-ylidene)butyl]-2h,3h,4h,7h-cyclopenta[b]pyridin-5-one
(1s,3s,5r,8r,9s,10s,11r,14s,17r,18r,19s)-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10,19-triol
(3s,6e)-8-[(2-hydroxyquinolin-4-yl)oxy]-2,6-dimethyloct-6-ene-2,3-diol
(1s,16r,17r)-5,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraene-4,16-diol
3-hydroxy-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-8-methyltrideca-4,6,8,10-tetraenimidic acid
(4ar,5s,6r,8ar)-5-[2-(5-hydroxy-2h-pyrrol-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
(1s,4s,9r,12s,13r,16r,17r)-17-(hydroxymethyl)-12-methyl-8-azapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5,7-diene-7,17-diol
5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),8,10(18)-triene-4,8-diol
2-epierythratidine
{"Ingredient_id": "HBIN005581","Ingredient_name": "2-epierythratidine","Alias": "NA","Ingredient_formula": "C19H25NO4","Ingredient_Smile": "NA","Ingredient_weight": "331.41","OB_score": "NA","CAS_id": "41431-23-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8661","PubChem_id": "NA","DrugBank_id": "NA"}
3r*,4r*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione
{"Ingredient_id": "HBIN009518","Ingredient_name": "3r*,4r*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione","Alias": "NA","Ingredient_formula": "C19H25NO4","Ingredient_Smile": "CC(C)CC1C(C(=O)N(C1=O)O)C2=CC=C(C=C2)OCC=C(C)C","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10233","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "139583762","DrugBank_id": "NA"}
3r*,4s*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione
{"Ingredient_id": "HBIN009530","Ingredient_name": "3r*,4s*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione","Alias": "NA","Ingredient_formula": "C19H25NO4","Ingredient_Smile": "CC(C)CC1C(C(=O)N(C1=O)O)C2=CC=C(C=C2)OCC=C(C)C","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10234","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10336811","DrugBank_id": "NA"}
bicyclomahanimbicine
{"Ingredient_id": "HBIN018471","Ingredient_name": "bicyclomahanimbicine","Alias": "NA","Ingredient_formula": "C23H25NO","Ingredient_Smile": "CC1=CC2=C(C=C1)NC3=C2C=CC4=C3C5C6C(C5(C)C)CCC6(O4)C","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2354","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102235879","DrugBank_id": "NA"}
