Exact Mass: 392.2464
Exact Mass Matches: 392.2464
Found 500 metabolites which its exact mass value is equals to given mass value 392.2464,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Kalihinol A
Trospium
Trospium is only found in individuals that have used or taken this drug. It is a urinary antispasmodic. It is sold under the brand name Sanctura in the US, and as Trosec in Canada. [Wikipedia]Trospium antagonizes the effect of acetylcholine on muscarinic receptors in cholinergically innervated organs. Its parasympatholytic action reduces the tonus of smooth muscle in the bladder.
3-Hydroxy-10'-apo-b,y-carotenal
3-Hydroxy-10-apo-b,y-carotenal is found in citrus. 3-Hydroxy-10-apo-b,y-carotenal isisolated from Sinton citrangequat. Prob. isolated from Sinton citrangequat. 3-Hydroxy-10-apo-b,y-carotenal is found in citrus.
Dihydrofukinolide
Dihydrofukinolide is found in giant butterbur. Dihydrofukinolide is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). Dihydrofukinolide is found in giant butterbur and green vegetables.
Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate
Methyl (9Z)-6-oxo-6,5-diapo-6-carotenoate is a constituent of Bixa orellana (annatto) Constituent of Bixa orellana (annatto).
CPA(16:0/0:0)
cPA(16:0/0:0) is a cyclic phosphatidic acid or cyclic lysophosphatidic acid. It is a glycerophospholipid in which a cyclic phosphate moiety occupies two glycerol substitution sites. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1). Fatty acids containing 16 and 18 carbons are the most common. Cyclic phosphatidic acids have been detected in a wide range of organisms including humans, especially in the brain but also in serum (at a concentration of 10-7M). cPAs have a cyclic phosphate at the sn-2 and sn-3 positions of the glycerol carbons, and this structure is absolutely necessary for their activities. In particular, it is found in tissues subject to injury, and while it may have some similar signalling functions to lysophosphatidic acid per se, it also has some quite distinct biological activities. For example, cyclic phosphatidic acid is known to be a specific inhibitor of DNA polymerase alpha. It has an appreciable effect on the inhibition of cancer cell invasion and metastasis. [HMDB] cPA(16:0/0:0) is a cyclic phosphatidic acid or cyclic lysophosphatidic acid. It is a glycerophospholipid in which a cyclic phosphate moiety occupies two glycerol substitution sites. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1). Fatty acids containing 16 and 18 carbons are the most common. Cyclic phosphatidic acids have been detected in a wide range of organisms including humans, especially in the brain but also in serum (at a concentration of 10-7M). cPAs have a cyclic phosphate at the sn-2 and sn-3 positions of the glycerol carbons, and this structure is absolutely necessary for their activities. In particular, it is found in tissues subject to injury, and while it may have some similar signalling functions to lysophosphatidic acid per se, it also has some quite distinct biological activities. For example, cyclic phosphatidic acid is known to be a specific inhibitor of DNA polymerase alpha. It has an appreciable effect on the inhibition of cancer cell invasion and metastasis.
20, 22-Dihydrodigoxigenin
20, 22-Dihydrodigoxigenin is a metabolite of digoxin. Digoxin is a purified cardiac glycoside and extracted from the foxglove plant, Digitalis lanata. Its corresponding aglycone is digoxigenin, and its acetyl derivative is acetyldigoxin. Digoxin is widely used in the treatment of various heart conditions, namely atrial fibrillation, atrial flutter and sometimes heart failure that cannot be controlled by other medication. Digoxin preparations are commonly marketed under the trade names Lanoxin, Digitek, and Lanoxicaps. (Wikipedia)
10-Hydroperoxy-H4-neuroprostane
10-Hydroperoxy-H4-neuroprostane, also known as 10-H4-NeuroP, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 10-Hydroperoxy-H4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 10-hydroperoxy-H4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
11-Hydroperoxy-H4-neuroprostane
11-Hydroperoxy-H4-neuroprostane, also known as 11-H4-NeuroP, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 11-Hydroperoxy-H4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 11-hydroperoxy-H4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
14-Hydroperoxy-H4-neuroprostane
14-Hydroperoxy-H4-neuroprostane, also known as 14-H4-NeuroP, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 14-Hydroperoxy-H4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 14-hydroperoxy-H4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
Arterolane
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
N,N'-Dibenzhydrylethane-1,2-diamine
AMN082 free base, a selective, orally active, and brain penetrant mGluR7 agonist, directly activates receptor signaling via an allosteric site in the transmembrane domain. AMN082 free base potently inhibits cAMP accumulation and stimulates GTPγS binding (EC50 values, 64-290 nM) at transfected mammalian cells expressing mGluR7. AMN082 free base shows selectivity over other mGluR subtypes and selected ionotropic glutamate receptors. Antidepressant effects[1][2].
N'-[(6-Oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetohydrazide
MG(20:4(6E,8Z,11Z,14Z)+=O(5)/0:0/0:0)
MG(20:4(6E,8Z,11Z,14Z)+=O(5)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(20:4(5Z,8Z,11Z,13E)+=O(15)/0:0/0:0)
MG(20:4(5Z,8Z,11Z,13E)+=O(15)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0/0:0)
MG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/0:0/0:0)
MG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0/0:0)
MG(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0/0:0)
MG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0)
MG(0:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/20:4(5Z,8Z,11Z,13E)+=O(15)/0:0)
MG(0:0/20:4(5Z,8Z,11Z,13E)+=O(15)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0)
MG(0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/0:0)
MG(0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0)
MG(0:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0)
MG(0:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
Blinin
Blinin is a natural product found in Eschenbachia blinii with data available. Blinin is a neoclerodane diterpene, isolated from the whole plant of Conyza blinii[1]. Blinin is a neoclerodane diterpene, isolated from the whole plant of Conyza blinii[1].
4beta,8beta,2alpha-Trihydroxy-6alpha-p-hydroxybenzoyloxydaucane
6alpha-Malonyloxymanoyl oxide
The malonate ester of a labdane diterpenoid. Isolated from the aerial parts of Stemodia foliosa, it exhibits antibacterial activity.
(1SR,3SR,5SR,8RS,11RS,12S)-3-hydroxy-8,12-dimethyl-4,15-dimethylidene-14-oxo-13,18-dioxatricyclo[10.3.2.1(5,8)]octadec-11-yl acetate|sinuladiterpene H
methyl 18-acetoxygrindelate|methyl-18-acetoxygrindeloate
7beta,14beta,15beta-trihydroxy-1alpha-acetoxy-7alpha,20-epoxy-ent-kaur-16-ene|enanderianin N
4alpha-acetoxy-3alpha-angeloyloxy-11-hydroxy-6,7-dehydroeudesman-8-one
13-acetoxy-7beta-angeloyloxy-3betaH-longipinan-1-one
rel-(7R,8S,1R,2S,4S,5R)-Delta8-2,4-dihydroxy-3,4,5-trimethoxy-1,2,3,4,5,6-hexahydro-7.O.2,8.1-neolignan
(4R,9S,13E,16E)-12-acetoxy-4-hydroxy-18-hydroperoxy-4,10-secospata-2,13(15),16-trien-10-one
(1R,3R,4S,7E,11E,13S,14R)-13-acetoxy-3,4-dihydroxycembra-7,11,15(17)-trien-16,14-olide|crassocolide I
2beta-ethoxy-6-O-(2-methylbutyryl)-2,3-dihydrohelenalin
17-Ac-8,12-Epoxy-16,17-dihydroxy-13-labden-15,16-olide
3beta,11beta,15beta-trihydroxy-6alpha-acetoxy-ent-kaur-16-ene|melissoidesin
3beta-acetoxy-8beta,14alpha-dihydroxy-3,15-abiatene-16,12-olide
7alpha,17beta-dihydroxy-15,17-oxidospongian-16-one 7-acetate|Aplyroseol 2
ent-1beta-acetoxy-12alpha,15alpha-dihydroxykaur-16-en-19-oic acid
7alpha,14beta,18-trihydroxy-20-acetoxy-ent-kaur-16-en-15-one|isolushinin H
21-Ac-(3alpha,5beta)-3,14,21-Trihydroxypregnan-20-one
21-Ac-(3alpha,5alpha,11beta)-3,11,21-Trihydroxypregnan-20-one
Di-Ac-5-[1-(2,2-Dimethylcyclopentylidene)ethyl]octahydro-4,4-dimethyl-1,3-isobenzofurandiol
rel-(1S,3S,4S,7R,8Z,11R,12S)-3-hydroxy-15-methylidene-4,8,12-trimethyl-14-oxo-13,18-dioxatricyclo[10.3.2.1(4,7)]octadec-8-en-11-yl acetate|sinuladiterpene C
10beta-acetoxy-2alpha,5alpha,9alpha-trihydroxy-3,11-cyclotax-4(2-)-en-13-one
rel-(1S,3S,4E,7E,9R,11R,12S)-3,9-dihydroxy-15-methylidene-4,8,12-trimethyl-14-oxo-13-oxabicyclo[10.3.2]heptadeca-4,7-dien-11-yl acetate|sinuladiterpene F
3-Ac-(3beta,5beta,14beta)-3,14,21-Trihydroxypregnan-20-one
4alpha-Acetoxy-3alpha-(2,3-epoxy-2-methylbutyryloxy)-eudesman-8-one|4alpha-Acetoxy-3alpha-<2,3-epoxy-2-methylbutyryloxy>-eudesman-8-one
3beta-acetoxy-abieta-8(14)-en-18-oic acid 9alpha,13alpha-endoperoxide
1alpha,3beta,11beta-trihydroxy-15beta-acetoxy-ent-kaur-16-en-6-one|nervonin J
6beta-acetoxy-12alpha,14beta-dihydroxycassa-(13)15-en-16,12-olide|caesalpinolide A
19-Ac-2,6,19-Trihydroxy-8,13-labdadien-15,16-olide
3-Ac-(3beta,5alpha,14beta,17alpha)-3,8,14-Trihydroxypregnan-20-one
15-acetoxy-12-(3-hydroxyisovaleryloxy)-cyperen-3-one|15-acetoxy-12-<3-hydroxyisovaleryloxy>-cyperen-3-one
2beta-methoxy-16-acetoxy-ent-labda-8(17),13Z-dien-15-oic acid
19-acetoxy-4alpha,18-epoxy-6alpha-hydroxyneoclerod-13-en-15,16-olide|ajugarin II|ajugarin-II
4beta,6alpha,8beta-trihydroxy-9alpha-p-hydroxybenzoyloxydaucane
(1R,3S,4S,14S,7E,11E)-18-acetoxy-3,4-dihydroxycembra-7,11,15(17)-trien-16,14-olide|durumolide F
3beta-acetoxy-6beta-[(2-methylbutanoyl)oxy]furanoeremophilan-10beta-ol
2-Acetoxy-5-methoxy-6-methyl-3-tridecyl-1,4-benzoquinone
10-Apo-Psi-carotin-10-saeure|apo-10-lycopenoic acid
3beta-angeloyloxy-4beta-acetoxy-7alpha-hydroxy-eudesman-11-en-8-one
3??-Hydroxy-7-acetoxy-4(18),13-clerodadien-15-oic acid methyl ester
3beta-acetoxy-7alpha,12alpha,14beta-trihydroxy-ent-kaur-16-en-15-one|pharicinin B
19-acetoxy-1beta,6beta-dihydroxy-7,16-dioxo-ent-abieta-15(17)-ene|eriocasin D
1beta-hydroxy-2beta-methylsenecioyloxy-8alpha-methoxyeremophil-7(11)-en-8beta(12)-olide
(3S,5S,6R,9S)-megastigman-3,6,9-triol 3-O-beta-D-(-)-glucopyranoside|iso-dihydrodendranthemoside A|NSC# 742189
7alpha,12alpha,13alpha-trihydroxyabiet-8(14)-en-18-oic acid acetonide|aquilarabietic acid C
5alpha-pregna-3beta-acetoxy-12beta,16beta-diol-20-one
methyl (4S)-3,4-seco-4,21-dihydroxy-4-methyl-20-oxo-5alpha-pregna-8-en-3-oate|nodulisporisteriod B
(2R,3R,20R)-2,20-dihydroxy-3,21-dimethoxypregn-5-en-7-one|heligenin A
methyl 15,17-epoxy-17alpha-acetoxy-ent-isocopalan-16-oate
(17S)-16-oxo-2,3-secopregnan-2,3-dioic acid dimethyl ester
3-Ac-(3beta,5alpha,17alphaOH)-3,17,21-Trihydroxypregnan-20-one
21-Ac-(3beta,5alpha,17alphaOH)-3,17,21-Trihydroxypregnan-20-one
2-Methoxy-3-tridecyl-5-acetoxy-6-methyl-1,4-benzoquinone
8-[3-(2-dimethylaminoethyl)-5-hydroxy-1h-indol-4-yl]-1-methyl-2,3,8,8a-tetrahydro-1h-pyrrolo[2,3-b]indol-3a-ol
3,16-Di-Ac-(3beta,5beta,16alpha,17beta)-Androstane-3,16,17-triol
6-alpha-malonyloxymanoyl oxide|6alpha-malonyloxymaloyl oxide
4alpha-angeloyloxy-5beta-hydroxy-13beta-methoxylupanine
2??-Hydroxy-7-acetoxy-3,13-clerodadien-15-oic acid methyl ester
7beta-acetoxy-15-hydroxylabda-8(17),13E-dien-19-oic acid methyl ester
3,17-Di-Ac-(3beta,5alpha,6alpha,17beta)-Androstane-3,6,17-triol
N-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetohydrazide
C19H36O8_[5-Hydroxy-2-(3-hydroxybutyl)-3,3-dimethylcyclohexyl]methyl beta-D-glucopyranoside
Dextromoramide
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AC - Diphenylpropylamine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
13,14-dihydro-16,16-difluoro Prostaglandin F2&alpha
13,14-dihydro-16,16-difluoro Prostaglandin E1
PAC-1
C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent
Trospium
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate
apo-3-Zeaxanthinal
5-((3Z,6Z,9Z,12Z,15Z,18Z)-henicosa-3,6,9,12,15,18-hexaen-1-yl)resorcinol
1,1-(9-(3-(DIMETHYLAMINO)PROPYL)-9H-CARBAZOLE-3,6-DIYL)BIS(2-METHYLPROPAN-1-ONE)
Racemoramide
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
tert-butyl 1-benzylspiro[1,3-dihydroisoquinoline-4,4-piperidine ]-2-carboxylate
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(3-methoxyphenyl)- (9CI)
methyl (2s)-2-[[(2s)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate
Toreforant
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent Toreforant is a potent and selective histamine H4 receptor (H4R) antagonist, with a Ki at the human receptor of 8.4 nM.
2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
20,22-Dihydrodigoxigenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
(E)-N-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acetohydrazide
13,14-dihydro-16,16-difluoro Prostaglandin F2alpha
1,1,2,2,5,5,6,6-Octaethyl-3,4,7,8-tetradehydro-1,2,5,6-tetrahydro-1,2,5,6-tetrasilocine
(E)-3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxybut-2-enoic acid
methyl (E)-7-[2-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoate
N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]glycinate
A monocarboxylic acid anion that is the conjugate base of N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]glycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]glycinate
A monocarboxylic acid anion that is the conjugate base of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]glycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-oxo-3-[(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate
2-(4-Methylphenoxy)-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
N-[3-(dimethylamino)propyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
N-[3-(dimethylamino)propyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]acetamide
(1-acetyloxy-3-hydroxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
(1-butanoyloxy-3-hydroxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
2-[Carboxy-(2-hydroxy-3-nonanoyloxypropoxy)methoxy]ethyl-trimethylazanium
Arterolane
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
AMN082 free base
AMN082 free base, a selective, orally active, and brain penetrant mGluR7 agonist, directly activates receptor signaling via an allosteric site in the transmembrane domain. AMN082 free base potently inhibits cAMP accumulation and stimulates GTPγS binding (EC50 values, 64-290 nM) at transfected mammalian cells expressing mGluR7. AMN082 free base shows selectivity over other mGluR subtypes and selected ionotropic glutamate receptors. Antidepressant effects[1][2].
1-Palmitylglycerone 3-phosphate(2-)
A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-palmitylglycerone 3-phosphate; major species at pH 7.3.
Gboxin
Gboxin is an oxidative phosphorylation (OXPHOS) inhibitor that targets glioblastoma. Gboxin inhibits the activity of F0F1 ATP synthase. Antitumour activity[1].
(1s,2s,4ar,5r,8r,8ar)-8-[(2s,5r)-5-chloro-2,6,6-trimethyloxan-2-yl]-1,5-diisocyano-2,5-dimethyl-octahydronaphthalen-2-ol
(4s,5s)-4-hydroxy-5-[(2r)-2-hydroxy-11-(4-hydroxyphenyl)-2-methylundecyl]-5-methyloxolan-2-one
(1r,3s,5s,7e,9r,12r,13r)-9-hydroxy-5,9,13-trimethyl-16-methylidene-15-oxo-4,14-dioxatricyclo[11.3.2.0³,⁵]octadec-7-en-12-yl acetate
(1s,2s,5r,10r,11r,14r,16r,17r)-17-hydroxy-17-(hydroxymethyl)-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosan-12-one
(1s,4ar,7s,8s,8as)-8-{2-[(2r,4r)-4-hydroxy-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl (2s)-2-methylbutanoate
3a,9b-dihydroxy-5,8-dimethyl-1-methylidene-2h,4h,5h,5ah,6h,9h,9ah-naphtho[2,1-b]furan-9-yl octanoate
(2e,4e,6e,8e,10e,12e,14e)-15-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal
(2r,3r,4s,5s,6r)-2-{[(1r,2s,3s,4s)-3-[(3r)-3-hydroxybutyl]-4-(hydroxymethyl)-2,4-dimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1r,2r,4ar,5s,8ar)-2-(acetyloxy)-5-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylate
11-({6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl}methyl)-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
(1r,3s,3ar,6r,7e,7ar)-3-(acetyloxy)-7-ethylidene-6-[(1s)-1,3,3-trimethylcyclohexyl]-hexahydro-1h-2-benzofuran-1-yl acetate
17-hydroxy-17-(hydroxymethyl)-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosan-12-one
methyl (1s,4ar,5r,7s,8ar)-7-(acetyloxy)-5-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylate
8-(3,7-dimethylocta-2,6-dien-1-yl)-3-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
(3r)-8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
2β-hydroxy-7-acetoxy-3,13-clerodadien-15-oicacid methyl ester
{"Ingredient_id": "HBIN005393","Ingredient_name": "2\u03b2-hydroxy-7-acetoxy-3,13-clerodadien-15-oicacid methyl ester","Alias": "NA","Ingredient_formula": "C23H36O5","Ingredient_Smile": "CC1C(CC2(C(C1(C)CCC(=CC(=O)OC)C)CC(C=C2C)O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9750","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methoxy-5-acetoxy-6-methyl-3-tridecyl-1,4-benzoquinone
{"Ingredient_id": "HBIN005896","Ingredient_name": "2-methoxy-5-acetoxy-6-methyl-3-tridecyl-1,4-benzoquinone","Alias": "NA","Ingredient_formula": "C23H36O5","Ingredient_Smile": "CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC(=O)C)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13823","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3α-hydroxy-7-acetoxy-4(18),13-clerodadien-15-oicacid methyl ester
{"Ingredient_id": "HBIN007950","Ingredient_name": "3\u03b1-hydroxy-7-acetoxy-4(18),13-clerodadien-15-oicacid methyl ester","Alias": "NA","Ingredient_formula": "C23H36O5","Ingredient_Smile": "CC1C(CC2(C(C1(C)CCC(=CC(=O)OC)C)CCC(C2=C)O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β-hydroxy-7-acetoxy-4(18),13-clerodadien-15-oicacid methyl ester
{"Ingredient_id": "HBIN008235","Ingredient_name": "3\u03b2-hydroxy-7-acetoxy-4(18),13-clerodadien-15-oicacid methyl ester","Alias": "NA","Ingredient_formula": "C23H36O5","Ingredient_Smile": "CC1C(CC2(C(C1(C)CCC(=CC(=O)OC)C)CCC(C2=C)O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9752","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
