Exact Mass: 514.2387154
Exact Mass Matches: 514.2387154
Found 500 metabolites which its exact mass value is equals to given mass value 514.2387154,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nomilin
Nomilin is a limonoid. 1-(Acetyloxy)-1,2-dihydroobacunoic acid e-lactone is a natural product found in Citrus latipes, Citrus hystrix, and other organisms with data available. Constituent of grapefruit (Citrus paradisi). Nomilin is found in lemon, sweet orange, and citrus. Nomilin is found in citrus. Nomilin is a constituent of grapefruit (Citrus paradisi) Nomilin is a limonoid compound obtained from the extracts of citrus fruits. Nomilin is an anti-obesity and anti-hyperglycemic agent [1][2]. Nomilin is a limonoid compound obtained from the extracts of citrus fruits. Nomilin is an anti-obesity and anti-hyperglycemic agent [1][2].
Gomisin E
Gomisin E is a natural product found in Kadsura coccinea and Schisandra chinensis with data available.
Telmisartan
Telmisartan is an angiotensin II receptor antagonist (ARB) used in the management of hypertension. Generally, angiotensin II receptor blockers (ARBs) such as telmisartan bind to the angiotensin II type 1 (AT1) receptors with high affinity, causing inhibition of the action of angiotensin II on vascular smooth muscle, ultimately leading to a reduction in arterial blood pressure. Recent studies suggest that telmisartan may also have PPAR-gamma agonistic properties that could potentially confer beneficial metabolic effects. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2805 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Telmisartan is a potent, long lasting antagonist of angiotensin II type 1 receptor (AT1), selectively inhibiting the binding of 125I-AngII to AT1 receptors with IC50 of 9.2 nM.
Protoasukamycin
A polyketide that is (all-E)-7-(3-amino-4-hydroxyphenyl)hepta-2,4,6-trienoic acid in which the amino group has been acylated by an (all-E)-7-cyclohexylhepta-2,4,6-trienoyl group and in which the carboxy group has undergone formal condensation with the amino group of 2-amino-3-hydroxycyclopent-2-en-1-one to give the corresponding carboxamide. Protoasukamycin is an intermediate in the biosynthesis of asukamycin.
Lucidenic acid D2
Lucidenic acid D2 is found in mushrooms. Lucidenic acid D2 is a constituent of Ganoderma lucidum (reishi).
Glycinoeclepin C
Constituent of root of Phaseolus vulgaris (kidney bean). Glycinoeclepin C is found in pulses, yellow wax bean, and green bean. Glycinoeclepin C is found in pulses. Glycinoeclepin C is a constituent of root of Phaseolus vulgaris (kidney bean).
(7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide
(7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide is found in citrus. (7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide is a constituent of the fruits of a Citrus-Poncirus hybrid Constituent of the fruits of a Citrus-Poncirus hybrid. (7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide is found in citrus.
Schisantherin B
PA(2:0/20:4(6E,8Z,11Z,14Z)+=O(5))
PA(2:0/20:4(6E,8Z,11Z,14Z)+=O(5)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/20:4(6E,8Z,11Z,14Z)+=O(5)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 5-oxo-eicosatetraenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:4(6E,8Z,11Z,14Z)+=O(5)/2:0)
PA(20:4(6E,8Z,11Z,14Z)+=O(5)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:4(6E,8Z,11Z,14Z)+=O(5)/2:0), in particular, consists of one chain of one 5-oxo-eicosatetraenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/20:4(5Z,8Z,11Z,13E)+=O(15))
PA(2:0/20:4(5Z,8Z,11Z,13E)+=O(15)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/20:4(5Z,8Z,11Z,13E)+=O(15)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 15-oxo-eicosatetraenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:4(5Z,8Z,11Z,13E)+=O(15)/2:0)
PA(20:4(5Z,8Z,11Z,13E)+=O(15)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:4(5Z,8Z,11Z,13E)+=O(15)/2:0), in particular, consists of one chain of one 15-oxo-eicosatetraenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))
PA(2:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 18-hydroxyleicosapentaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/2:0)
PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/2:0), in particular, consists of one chain of one 18-hydroxyleicosapentaenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))
PA(2:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 15-hydroxyleicosapentaenyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/2:0)
PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/2:0), in particular, consists of one chain of one 15-hydroxyleicosapentaenyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12))
PA(2:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 12-hydroxyleicosapentaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/2:0)
PA(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/2:0), in particular, consists of one chain of one 12-hydroxyleicosapentaenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(2:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))
PA(2:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 5-hydroxyleicosapentaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/2:0)
PA(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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 diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/2:0), in particular, consists of one chain of one 5-hydroxyleicosapentaenoyl at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PA backbone, mainly through the action of LOX (PMID: 33329396).
3,7,4-Trihydroxy-3-(8-acetoxy-7-methyloctyl)-5,6-dimethoxyflavone
Lucidenic acid D
Constituent of Ganoderma lucidum (reishi). Lucidenic acid D2 is found in mushrooms.
Schisantherin B
CID 558009 is a natural product found in Schisandra sphenanthera with data available. Schisantherin B (Gomisin-B; Wuweizi ester-B; Schisantherin-B) is a natural product. Schisantherin B (Gomisin-B; Wuweizi ester-B; Schisantherin-B) is a natural product.
3,7,4-Trihydroxy-3-(7-methyl-8-acetoxyoctyl)-5,6-dimethoxyflavone
2-O-Methylconfluentinsaeure|2-O-Methylconfluentsaeure
4-butyl 1-(4-beta-D-glucopyranosyloxy-benzyl)ester (2R)-2-hydroxy-2-(2-methylpropyl)-butanedioic acid|armatuside|bletillin A
2-Hydroxy-4-[2,4-dihydroxy-6-(2-oxoheptyl)benzoyloxy]-6-(2-oxoheptyl)benzoic acid
(5R,6R,7R)-5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyldibenzo[a,c][8]annulen-5-yl (2Z)-2-methylbut-2-enoate|kadsufolin A
akuammidine 17-O-beta-d-glucopyranoside|methyl (19E)-17-(b-d-glucopyranosyloxy)-10-hydroxysarpagan-16-carboxylate
C27H34N2O8 (514.2315044000001)
ingenol 3-angelate 5,20-diacetate|ingenol-3-angelate-5,20-diacetate
LucidenicacidD
Lucidenic acid D2 is a triterpenoid. Lucidenic acid D is a natural product found in Ganoderma sinense and Ganoderma lucidum with data available.
Telmisartan
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2251 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 63 CONFIDENCE standard compound; INTERNAL_ID 8191 This spectrum was obtained at The Multidisciplinary Research Laboratory at Antenor Orrego Private University, Trujillo, La Libertad, Peru.The sample was obtained from a pharmacy.; The sample was dissolved in 1:1 acetonitrile:water and passed through a ACQUITY UPLC BEH C18 1.7um column at 0.6 mL/min in ramp of MPA: 0.1\\\% Formic Acid in water; MPB: 0.1\\\% Formic Acid in Acetonitrile; Contact us: http://www.upao.edu.pe/labinm/ Telmisartan is a potent, long lasting antagonist of angiotensin II type 1 receptor (AT1), selectively inhibiting the binding of 125I-AngII to AT1 receptors with IC50 of 9.2 nM.
Ala Phe Phe Met
Ala Phe Met Phe
Ala Met Phe Phe
Ala Val Tyr Tyr
Ala Tyr Val Tyr
Ala Tyr Tyr Val
Cys Phe Phe Val
Cys Phe Val Phe
Cys His Lys Gln
Cys His Gln Lys
Cys Lys His Gln
Cys Lys Gln His
Cys Gln His Lys
Cys Gln Lys His
Cys Val Phe Phe
Asp His Ile Met
Asp His Leu Met
Asp His Met Ile
Asp His Met Leu
Asp Ile His Met
Asp Ile Met His
Asp Leu His Met
Asp Leu Met His
Asp Met His Ile
Asp Met His Leu
Asp Met Ile His
Asp Met Leu His
Asp Pro Gln Arg
Asp Pro Arg Gln
Asp Gln Pro Arg
Asp Gln Arg Pro
Asp Arg Pro Gln
Asp Arg Gln Pro
Glu His Met Val
Glu His Val Met
Glu Met His Val
Glu Met Val His
Glu Asn Pro Arg
Glu Asn Arg Pro
Glu Pro Asn Arg
Glu Pro Arg Asn
Glu Arg Asn Pro
Glu Arg Pro Asn
Glu Val His Met
Glu Val Met His
Phe Ala Phe Met
Phe Ala Met Phe
Phe Cys Phe Val
Phe Cys Val Phe
Phe Phe Ala Met
Phe Phe Cys Val
Phe Phe Met Ala
Phe Phe Thr Thr
Phe Phe Val Cys
Phe Met Ala Phe
Phe Met Phe Ala
Phe Ser Val Tyr
Phe Ser Tyr Val
Phe Thr Phe Thr
Phe Thr Thr Phe
Phe Val Cys Phe
Phe Val Phe Cys
Phe Val Ser Tyr
Phe Val Tyr Ser
Phe Tyr Ser Val
Phe Tyr Val Ser
Gly Ile Tyr Tyr
Gly Leu Tyr Tyr
Gly Tyr Ile Tyr
Gly Tyr Leu Tyr
Gly Tyr Tyr Ile
Gly Tyr Tyr Leu
His Cys Lys Gln
His Cys Gln Lys
His Asp Ile Met
His Asp Leu Met
His Asp Met Ile
His Asp Met Leu
His Glu Met Val
His Glu Val Met
His Ile Asp Met
His Ile Met Asp
His Lys Cys Gln
His Lys Gln Cys
His Leu Asp Met
His Leu Met Asp
His Met Asp Ile
His Met Asp Leu
His Met Glu Val
His Met Ile Asp
His Met Leu Asp
His Met Val Glu
His Pro Val Tyr
C25H34N6O6 (514.2539704000001)
His Pro Tyr Val
C25H34N6O6 (514.2539704000001)
His Gln Cys Lys
His Gln Lys Cys
His Val Glu Met
His Val Met Glu
His Val Pro Tyr
C25H34N6O6 (514.2539704000001)
His Val Tyr Pro
C25H34N6O6 (514.2539704000001)
His Tyr Pro Val
C25H34N6O6 (514.2539704000001)
His Tyr Val Pro
C25H34N6O6 (514.2539704000001)
Ile Asp His Met
Ile Asp Met His
Ile Gly Tyr Tyr
Ile His Asp Met
Ile His Met Asp
Ile Met Asp His
Ile Met His Asp
Ile Tyr Gly Tyr
Ile Tyr Tyr Gly
Lys Cys His Gln
Lys Cys Gln His
Lys His Cys Gln
Lys His Gln Cys
Lys Gln Cys His
Lys Gln His Cys
Leu Asp His Met
Leu Asp Met His
Leu Gly Tyr Tyr
Leu His Asp Met
Leu His Met Asp
Leu Met Asp His
Leu Met His Asp
Leu Tyr Gly Tyr
Leu Tyr Tyr Gly
Met Ala Phe Phe
Met Asp His Ile
Met Asp His Leu
Met Asp Ile His
Met Asp Leu His
Met Glu His Val
Met Glu Val His
Met Phe Ala Phe
Met Phe Phe Ala
Met His Asp Ile
Met His Asp Leu
Met His Glu Val
Met His Ile Asp
Met His Leu Asp
Met His Val Glu
Met Ile Asp His
Met Ile His Asp
Met Leu Asp His
Met Leu His Asp
Met Val Glu His
Met Val His Glu
Asn Glu Pro Arg
Asn Glu Arg Pro
Asn Pro Glu Arg
Asn Pro Arg Glu
Asn Pro Val Trp
C25H34N6O6 (514.2539704000001)
Asn Pro Trp Val
C25H34N6O6 (514.2539704000001)
Asn Arg Glu Pro
Asn Arg Pro Glu
Asn Val Pro Trp
C25H34N6O6 (514.2539704000001)
Asn Val Trp Pro
C25H34N6O6 (514.2539704000001)
Asn Trp Pro Val
C25H34N6O6 (514.2539704000001)
Asn Trp Val Pro
C25H34N6O6 (514.2539704000001)
Pro Asp Gln Arg
Pro Asp Arg Gln
Pro Glu Asn Arg
Pro Glu Arg Asn
Pro His Val Tyr
C25H34N6O6 (514.2539704000001)
Pro His Tyr Val
C25H34N6O6 (514.2539704000001)
Pro Asn Glu Arg
Pro Asn Arg Glu
Pro Asn Val Trp
C25H34N6O6 (514.2539704000001)
Pro Asn Trp Val
C25H34N6O6 (514.2539704000001)
Pro Gln Asp Arg
Pro Gln Arg Asp
Pro Arg Asp Gln
Pro Arg Glu Asn
Pro Arg Asn Glu
Pro Arg Gln Asp
Pro Val His Tyr
C25H34N6O6 (514.2539704000001)
Pro Val Asn Trp
C25H34N6O6 (514.2539704000001)
Pro Val Trp Asn
C25H34N6O6 (514.2539704000001)
Pro Val Tyr His
C25H34N6O6 (514.2539704000001)
Pro Trp Asn Val
C25H34N6O6 (514.2539704000001)
Pro Trp Val Asn
C25H34N6O6 (514.2539704000001)
Pro Tyr His Val
C25H34N6O6 (514.2539704000001)
Pro Tyr Val His
C25H34N6O6 (514.2539704000001)
Gln Cys His Lys
Gln Cys Lys His
Gln Asp Pro Arg
Gln Asp Arg Pro
Gln His Cys Lys
Gln His Lys Cys
Gln Lys Cys His
Gln Lys His Cys
Gln Pro Asp Arg
Gln Pro Arg Asp
Gln Arg Asp Pro
Gln Arg Pro Asp
Arg Asp Pro Gln
Arg Asp Gln Pro
Arg Glu Asn Pro
Arg Glu Pro Asn
Arg Asn Glu Pro
Arg Asn Pro Glu
Arg Pro Asp Gln
Arg Pro Glu Asn
Arg Pro Asn Glu
Arg Pro Gln Asp
Arg Gln Asp Pro
Arg Gln Pro Asp
Ser Phe Val Tyr
Ser Phe Tyr Val
Ser Val Phe Tyr
Ser Val Tyr Phe
Ser Tyr Phe Val
Ser Tyr Val Phe
Thr Phe Phe Thr
Thr Phe Thr Phe
Thr Thr Phe Phe
Val Ala Tyr Tyr
Val Cys Phe Phe
Val Glu His Met
Val Glu Met His
Val Phe Cys Phe
Val Phe Phe Cys
Val Phe Ser Tyr
Val Phe Tyr Ser
Val His Glu Met
Val His Met Glu
Val His Pro Tyr
C25H34N6O6 (514.2539704000001)
Val His Tyr Pro
C25H34N6O6 (514.2539704000001)
Val Met Glu His
Val Met His Glu
Val Asn Pro Trp
C25H34N6O6 (514.2539704000001)
Val Asn Trp Pro
C25H34N6O6 (514.2539704000001)
Val Pro His Tyr
C25H34N6O6 (514.2539704000001)
Val Pro Asn Trp
C25H34N6O6 (514.2539704000001)
Val Pro Trp Asn
C25H34N6O6 (514.2539704000001)
Val Pro Tyr His
C25H34N6O6 (514.2539704000001)
Val Ser Phe Tyr
Val Ser Tyr Phe
Val Trp Asn Pro
C25H34N6O6 (514.2539704000001)
Val Trp Pro Asn
C25H34N6O6 (514.2539704000001)
Val Tyr Ala Tyr
Val Tyr Phe Ser
Val Tyr His Pro
C25H34N6O6 (514.2539704000001)
Val Tyr Pro His
C25H34N6O6 (514.2539704000001)
Val Tyr Ser Phe
Val Tyr Tyr Ala
Trp Asn Pro Val
C25H34N6O6 (514.2539704000001)
Trp Asn Val Pro
C25H34N6O6 (514.2539704000001)
Trp Pro Asn Val
C25H34N6O6 (514.2539704000001)
Trp Pro Val Asn
C25H34N6O6 (514.2539704000001)
Trp Val Asn Pro
C25H34N6O6 (514.2539704000001)
Trp Val Pro Asn
C25H34N6O6 (514.2539704000001)
Tyr Ala Val Tyr
Tyr Ala Tyr Val
Tyr Phe Ser Val
Tyr Phe Val Ser
Tyr Gly Ile Tyr
Tyr Gly Leu Tyr
Tyr Gly Tyr Ile
Tyr Gly Tyr Leu
Tyr His Pro Val
C25H34N6O6 (514.2539704000001)
Tyr His Val Pro
C25H34N6O6 (514.2539704000001)
Tyr Ile Gly Tyr
Tyr Ile Tyr Gly
Tyr Leu Gly Tyr
Tyr Leu Tyr Gly
Tyr Pro His Val
C25H34N6O6 (514.2539704000001)
Tyr Pro Val His
C25H34N6O6 (514.2539704000001)
Tyr Ser Phe Val
Tyr Ser Val Phe
Tyr Val Ala Tyr
Tyr Val Phe Ser
Tyr Val His Pro
C25H34N6O6 (514.2539704000001)
Tyr Val Pro His
C25H34N6O6 (514.2539704000001)
Tyr Val Ser Phe
Tyr Val Tyr Ala
Tyr Tyr Ala Val
Tyr Tyr Gly Ile
Tyr Tyr Gly Leu
Tyr Tyr Ile Gly
Tyr Tyr Leu Gly
Tyr Tyr Val Ala
Glycinoeclepin C
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid
2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,2-methyloxirane,oxirane,propane-1,2,3-triol
hexanedioic acid,hexane-1,6-diol,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
C27H34N2O8 (514.2315044000001)
N,N-diphenyl-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
Sobuzoxane
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D004791 - Enzyme Inhibitors
4-[(1,7-Dimethyl-2-propyl[2,5-bi-1H-benzimidazol]-1-yl)methyl][1,1-biphenyl]-2-carboxylic Acid
hexanedioic acid,hexane-1,6-diol,1-isocyanato-2-[(2-isocyanatophenyl)methyl]benzene
C27H34N2O8 (514.2315044000001)
17-(1-Hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2-oxirane]-11,22-dione
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1,2-Diheptanoyl-1,2-dithio-sn-glycero-3-phosphocholine
C22H45NO6PS2+ (514.2425780000001)
N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
(4-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-1-(3-pyridinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanone
(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1-(3-pyridinylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanone
(1R,3R,8R,17S,20Z,24R,25S,26S)-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2-oxirane]-11,22-dione
Tripeptide-41
Tripeptide-41(CG-Lipoxyn)isa bioactive peptide withreduce fat accumulationeffect and has been reported used as a cosmetic ingredient[1].
1-[1-(4-ethyl-5-methyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-3a,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,9h,9bh,10h-cyclopenta[a]phenanthrene-5,8,11-trione
(3s,4as,6s,6ar,7r,10ar,10br)-6a-[(acetyloxy)methyl]-7-(chloromethyl)-7-hydroxy-4a,10b-dimethyl-5'-oxo-octahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-6-yl 2-methylpropanoate
(1'r,2s,3'r,8'r,12'e,17'r,18'e,20'z,24'r,25's)-17'-[(1s)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
6-(acetyloxy)-7-[(acetyloxy)methyl]-5-hydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl 2-methylbut-2-enoate
(2s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s,2s)-1-carboxy-2-methylbutyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}pentanedioic acid
C27H34N2O8 (514.2315044000001)
(1s,3ar,5ar,7r,9ar,9br,11ar)-1-[(1r)-1-[(2r)-4-ethyl-5-methyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-3a,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,9h,9bh,10h-cyclopenta[a]phenanthrene-5,8,11-trione
(1''r,2s,2'r,5''as,7''as,11''as,11''bs)-4,5,5'',5'',7''a,9'',11''b-heptamethyl-3,3'',5'-trioxo-2'',5''a,6'',7'',11'',11''a-hexahydro-1''h-dispiro[furan-2,4'-oxolane-2',8''-naphtho[2,1-c]oxepin]-1''-yl acetate
(1s,2r,3r,4s,4ar,5r,8as)-3-(acetyloxy)-4-(benzoyloxy)-1-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-5,8a-dimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxirane]-5-carboxylic acid
9-deacetyl-9-benzoyl-10-debenzoyl brevifoliol
{"Ingredient_id": "HBIN014079","Ingredient_name": "9-deacetyl-9-benzoyl-10-debenzoyl brevifoliol","Alias": "9-deacetyl-9-benzoyl-10-debenzoylbrevifoliol","Ingredient_formula": "C29H38O8","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C(=C)C3CC2(CC1O)C(C)(C)O)O)OC(=O)C)C)OC(=O)C4=CC=CC=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26031;4728","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1'r,2s,3's,8's,12'e,17's,18'r,19'e,21'z,25'r,26's)-18'-hydroxy-5',13',17',26'-tetramethyl-2',10',16',24'-tetraoxaspiro[oxirane-2,27'-tetracyclo[23.2.1.0³,⁸.0⁸,²⁶]octacosane]-4',12',19',21'-tetraene-11',23'-dione
[(1s,4as,5s,7ar)-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl (2e,6r)-8-hydroxy-2,6-dimethyloct-2-enoate
3-[(1r,5s,6r,10s,13s,14s)-5,10,14-trimethyl-6-[(2s)-2-methyloxiran-2-yl]-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoic acid
(1'r,3'r,8'r,12'z,19'z,21'z,25'r,26's)-18'-hydroxy-5',13',17',26'-tetramethyl-2',10',16',24'-tetraoxaspiro[oxirane-2,27'-tetracyclo[23.2.1.0³,⁸.0⁸,²⁶]octacosane]-4',12',19',21'-tetraene-11',23'-dione
3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2,4,6,13,15-hexaen-8-yl 2-methylbut-2-enoate
methyl 15-(acetyloxy)-8-methoxy-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate
(1s,3ar,5ar,8s,9ar,9br,11ar)-1-[(1r)-1-[(2r)-4-ethyl-5-methyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-3a,8-dihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,8h,9h,9bh,10h-cyclopenta[a]phenanthrene-5,7,11-trione
1-(5-ethenyl-4-{1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-ylmethyl}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-yl)ethanone
C27H34N2O8 (514.2315044000001)
(5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl)methyl 8-hydroxy-2,6-dimethyloct-2-enoate
(2s)-8-[5-(3,7-dihydroxy-5,6-dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-2-methyloctyl acetate
4-(hex-4-enoyl)-3,6,7,12-tetrahydroxy-13-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-3,11-diene-5,10-dione
5-(hex-4-enoyl)-3,6-dihydroxy-1,3-dimethyl-7-(prop-1-en-1-yl)-8-(2,4,5-trihydroxy-3,5-dimethyl-6-oxocyclohexa-1,3-diene-1-carbonyl)bicyclo[2.2.2]oct-5-en-2-one
1-[(4s,5r,6s)-5-ethenyl-4-[(1s)-1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-ylmethyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-yl]ethanone
C27H34N2O8 (514.2315044000001)
4-butyl 1-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (2r)-2-hydroxy-2-(2-methylpropyl)butanedioate
(1r,2r,8s,11s,12r,18s)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate
(9r,10r,11r)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl (2z)-2-methylbut-2-enoate
(2s,3'r,8'r,12'e,17'r,18'e,20'z,24'r,25's)-17'-[(1r)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(8r,9s,10r,11r)-11-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-2-methylbut-2-enoate
13-(1,6-dihydroxyhexa-2,4-dien-1-ylidene)-6,7,12-trihydroxy-4-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-11-ene-3,10-dione
7-(furan-3-yl)-20-hydroxy-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-en-10-yl acetate
(9s,10s,11r)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl (2e)-2-methylbut-2-enoate
4-[(3r,5s,9r,10s,12r,14r,15s,18r,22s,23r)-10,22-dihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosa-1,19-dien-19-yl]-5h-furan-2-one
4-butyl 1-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-2-(2-methylpropyl)butanedioate
(12'z,18'z,20'z)-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(1'r,2s,3'r,8'r,12'z,17's,18'z,20'z,24'r,25's)-17'-[(1s)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
1-[1-(4-ethyl-5-methyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-3a,8-dihydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,8h,9h,9bh,10h-cyclopenta[a]phenanthrene-5,7,11-trione
(1r,2r,6s,7r,9s)-13-(1,6-dihydroxyhexa-2,4-dien-1-ylidene)-6,7,12-trihydroxy-4-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-11-ene-3,10-dione
(8s,9s,10r,11r)-11-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-2-methylbut-2-enoate
(8r,9r,10s)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-2-methylbut-2-enoate
(1r,2r,6s,7r,9s)-13-[(2e,4e)-1,6-dihydroxyhexa-2,4-dien-1-ylidene]-6,7,12-trihydroxy-4-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-11-ene-3,10-dione
(18'e)-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
2-butanoyl-6-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
(1r,4s,7r,8r)-5-[(4e)-hex-4-enoyl]-3,6-dihydroxy-1,3-dimethyl-7-[(1e)-prop-1-en-1-yl]-8-[(5r)-2,4,5-trihydroxy-3,5-dimethyl-6-oxocyclohexa-1,3-diene-1-carbonyl]bicyclo[2.2.2]oct-5-en-2-one
(9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate
methyl 15-(acetyloxy)-6-methoxy-4,5,7,10,14,14-hexamethyl-8,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,6-diene-9-carboxylate
methyl 2-[14-(acetyloxy)-6-(furan-3-yl)-8-hydroxy-1,5,15,15-tetramethyl-17-oxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
(1'r,2s,12'z,17's,18's,19'z,21'z,25'r,26's)-18'-hydroxy-5',13',17',26'-tetramethyl-2',10',16',24'-tetraoxaspiro[oxirane-2,27'-tetracyclo[23.2.1.0³,⁸.0⁸,²⁶]octacosane]-4',12',19',21'-tetraene-11',23'-dione
(2s,3'r,8'r,12'e,17's,18'e,20'e,24'r,25's)-17'-[(1s)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(1'r,2s,3's,8'r,12'e,17'r,18'r,19'e,21'z,25'r,26's)-18'-hydroxy-5',13',17',26'-tetramethyl-2',10',16',24'-tetraoxaspiro[oxirane-2,27'-tetracyclo[23.2.1.0³,⁸.0⁸,²⁶]octacosane]-4',12',19',21'-tetraene-11',23'-dione
(2s,3'r,8'r,12'z,18'z,20'z,24'r)-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(1'r,2s,3'r,8'r,17'r,24'r,25's)-17'-[(1r)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
4-[2,4-dimethoxy-6-(2-oxoheptyl)benzoyloxy]-2-methoxy-6-pentylbenzoic acid
4-{10,22-dihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosa-1,19-dien-19-yl}-5h-furan-2-one
methyl (1r,5r,9r,10s,12s,15s)-15-(acetyloxy)-6-methoxy-4,5,7,10,14,14-hexamethyl-8,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,6-diene-9-carboxylate
methyl (1r,5r,9r,10s,12s,15s)-15-(acetyloxy)-8-methoxy-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate
(1'r,2s,3'r,8'r,12'e,17's,18'e,20'e,24'r,25's)-17'-[(1s)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
8-(acetyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-9-yl benzoate
methyl 2-[(1r,2s,5r,6r,8r,13s,14r,16s)-14-(acetyloxy)-6-(furan-3-yl)-8-hydroxy-1,5,15,15-tetramethyl-17-oxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
(1r,2s,4r,5r,6r,7r,10s,11s,14s,16r)-5-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl 1-methyl butanedioate
17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(19'e)-18'-hydroxy-5',13',17',26'-tetramethyl-2',10',16',24'-tetraoxaspiro[oxirane-2,27'-tetracyclo[23.2.1.0³,⁸.0⁸,²⁶]octacosane]-4',12',19',21'-tetraene-11',23'-dione
(2s)-1-[(2s)-1-[(2s)-2-({[(2s,5s,6s)-6-(chloromethyl)-5-methoxypiperidin-2-yl](hydroxy)methylidene}amino)-3-methylbutanoyl]piperidine-2-carbonyl]pyrrolidine-2-carboxylic acid
5-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl 1-methyl butanedioate
4-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid
(1s,2r,4s,7s,8s,11r,12r,13s,17r,19r)-7-(furan-3-yl)-13-methoxy-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate
(1s,2r,4s,7s,8s,10s,11r,12r,18r,20r)-7-(furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-en-20-yl acetate
(1's,2r,3'r,12'e,17'r,18'e,20'z,24'r,25's)-17'-[(1s)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
18'-hydroxy-5',13',17',26'-tetramethyl-2',10',16',24'-tetraoxaspiro[oxirane-2,27'-tetracyclo[23.2.1.0³,⁸.0⁸,²⁶]octacosane]-4',12',19',21'-tetraene-11',23'-dione
(1''s,2r,2's,5''ar,7''ar,11''ar,11''br)-4,5,5'',5'',7''a,9'',11''b-heptamethyl-3,3'',5'-trioxo-2'',5''a,6'',7'',11'',11''a-hexahydro-1''h-dispiro[furan-2,4'-oxolane-2',8''-naphtho[2,1-c]oxepin]-1''-yl acetate
7-(furan-3-yl)-13-methoxy-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadecan-19-yl acetate
(4r)-2-butanoyl-6-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
4-[(3r,5s,9s,10s,12r,14r,15s,18r,22s,23r)-10,22-dihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosa-1,19-dien-19-yl]-5h-furan-2-one
2-({15-[(1-carboxy-2-methylbutyl)-c-hydroxycarbonimidoyl]-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene}amino)pentanedioic acid
C27H34N2O8 (514.2315044000001)