Exact Mass: 514.2202714
Exact Mass Matches: 514.2202714
Found 500 metabolites which its exact mass value is equals to given mass value 514.2202714,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
gomisin B
Gomisin B is a tannin. Schisantherin B is a natural product found in Kadsura angustifolia, Schisandra rubriflora, and other organisms with data available. See also: Schisandra chinensis fruit (part of). 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.
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.
(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.
Cochinchinenin
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
Cochinchinenin
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
3-(2-hydroxy-3-methyl-3-butenyl)acetophenone-4-O-[beta-D-arabinopyranosyl-(1->3)]-O-beta-D-galactopyranoside
3-Methyl-3,8,9-trihydroxy-7-[(1,3-dimethyl-9-methoxy-10-hydroxy-3,4-dihydro-1H-naphtho[2,3-c]pyran)-5-yl]-3,4-dihydroanthracen-1(2H)-one
4-butyl 1-(4-beta-D-glucopyranosyloxy-benzyl)ester (2R)-2-hydroxy-2-(2-methylpropyl)-butanedioic acid|armatuside|bletillin A
O-(N-Acetyl-neuraminyl)-(2->6)-2-acetylamino-2-desoxy-D-galactit|O--(2->6)-2-acetylamino-2-desoxy-D-galactit
2-Hydroxy-4-[2,4-dihydroxy-6-(2-oxoheptyl)benzoyloxy]-6-(2-oxoheptyl)benzoic acid
O1,O2,O3,O4-tetraacetyl-O6-(8-hydroxymenth-1-en-7-oyl)-beta-D-glucopyranose
11beta-hydroxy-7alpha-obacunyl acetate|11??-Hydroxy-7??-obacunyl acetate
12-O-[3-(5-methoxy-12-hydroxy)-bibenzyl]-5-hydroxy-3-methoxybibenzyl-6-carboxylic acid
(E)-3,4-dihydroxy-2,6-bis(4-hydroxybenzyl)-2,3,5-trimethoxystilbene
1-O-[3-O-acetyl-alpha-L-rhamnopyranosyl-(1?6)-beta-D-glucopyranosyl]-4-allyl-2-methoxyphenol
akuammidine 17-O-beta-d-glucopyranoside|methyl (19E)-17-(b-d-glucopyranosyloxy)-10-hydroxysarpagan-16-carboxylate
C27H34N2O8 (514.2315044000001)
O2,O3,O4,O6-tetraacetyl-O1-(8-hydroxymenth-1-en-7-oyl)-beta-D-glucopyranose
Glu Thr His Glu
SchisanwilsoninI
Schizandrer B
Tigloylgomisin P is a natural product found in Schisandra rubriflora, Schisandra bicolor, and other organisms with data available. See also: Schisandra chinensis fruit (part of).
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 Asp Phe Tyr
Ala Asp Tyr Phe
Ala Phe Asp Tyr
Ala Phe Phe Met
Ala Phe Met Phe
Ala Phe Tyr Asp
Ala Met Phe Phe
Ala Val Tyr Tyr
Ala Tyr Asp Phe
Ala Tyr Phe Asp
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 Ala Phe Tyr
Asp Ala Tyr Phe
Asp Phe Ala Tyr
Asp Phe Phe Ser
Asp Phe His Pro
Asp Phe Pro His
Asp Phe Ser Phe
Asp Phe Tyr Ala
Asp His Phe Pro
Asp His Ile Met
Asp His Leu Met
Asp His Met Ile
Asp His Met Leu
Asp His Pro Phe
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 Phe His
Asp Pro His Phe
Asp Ser Phe Phe
Asp Tyr Ala Phe
Asp Tyr Phe Ala
Glu Glu His Thr
Glu Glu Thr His
Glu Phe Gly Tyr
Glu Phe Tyr Gly
Glu Gly Phe Tyr
Glu Gly Tyr Phe
Glu His Glu Thr
Glu His Met Val
Glu His Thr Glu
Glu His Val Met
Glu Met His Val
Glu Met Val His
Glu Thr Glu His
Glu Val His Met
Glu Val Met His
Glu Tyr Phe Gly
Glu Tyr Gly Phe
Phe Ala Asp Tyr
Phe Ala Phe Met
Phe Ala Met Phe
Phe Ala Tyr Asp
Phe Cys Phe Val
Phe Cys Val Phe
Phe Asp Ala Tyr
Phe Asp Phe Ser
Phe Asp His Pro
Phe Asp Pro His
Phe Asp Ser Phe
Phe Asp Tyr Ala
Phe Glu Gly Tyr
Phe Glu Tyr Gly
Phe Phe Ala Met
Phe Phe Cys Val
Phe Phe Asp Ser
Phe Phe Met Ala
Phe Phe Ser Asp
Phe Phe Thr Thr
Phe Phe Val Cys
Phe Gly Glu Tyr
Phe Gly Tyr Glu
Phe His Asp Pro
Phe His Pro Asp
Phe Met Ala Phe
Phe Met Phe Ala
Phe Pro Asp His
Phe Pro His Asp
Phe Ser Asp Phe
Phe Ser Phe Asp
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 Ala Asp
Phe Tyr Asp Ala
Phe Tyr Glu Gly
Phe Tyr Gly Glu
Phe Tyr Ser Val
Phe Tyr Val Ser
Gly Glu Phe Tyr
Gly Glu Tyr Phe
Gly Phe Glu Tyr
Gly Phe Tyr Glu
Gly Ile Tyr Tyr
Gly Leu Tyr Tyr
Gly Tyr Glu Phe
Gly Tyr Phe Glu
Gly Tyr Ile Tyr
Gly Tyr Leu Tyr
Gly Tyr Tyr Ile
His Cys Lys Gln
His Cys Gln Lys
His Asp Phe Pro
His Asp Ile Met
His Asp Leu Met
His Asp Met Ile
His Asp Met Leu
His Asp Pro Phe
His Glu Glu Thr
His Glu Met Val
His Glu Thr Glu
His Glu Val Met
His Phe Asp Pro
His Phe Pro Asp
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 Met Pro
His Met Pro Met
His Met Val Glu
His Pro Asp Phe
His Pro Phe Asp
His Pro Met Met
His Gln Cys Lys
His Gln Lys Cys
His Thr Glu Glu
His Val Glu Met
His Val Met Glu
Ile Asp His Met
Ile Asp Met His
Ile His Asp Met
Ile His Met Asp
Ile Met Asp His
Ile Met His Asp
Ile Tyr Gly Tyr
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 His Asp Met
Leu His Met Asp
Leu Met Asp His
Leu Met His Asp
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 Met Pro
Met His Pro Met
Met His Val Glu
Met Ile Asp His
Met Ile His Asp
Met Leu Asp His
Met Leu His Asp
Met Met His Pro
Met Met Pro His
Met Pro His Met
Met Pro Met His
Met Thr Thr Tyr
Met Thr Tyr Thr
Met Val Glu His
Met Val His Glu
Met Tyr Thr Thr
Pro Asp Phe His
Pro Asp His Phe
Pro Phe Asp His
Pro Phe His Asp
Pro His Asp Phe
Pro His Phe Asp
Pro His Met Met
Pro Met His Met
Pro Met Met His
Gln Cys His Lys
Gln Cys Lys His
Gln His Cys Lys
Gln His Lys Cys
Gln Lys Cys His
Gln Lys His Cys
Ser Asp Phe Phe
Ser Phe Asp Phe
Ser Phe Phe Asp
Thr Glu Glu His
Thr Glu His Glu
Thr His Glu Glu
Thr Met Thr Tyr
Thr Met Tyr Thr
Thr Thr Met Tyr
Thr Thr Tyr Met
Thr Tyr Met Thr
Thr Tyr Thr Met
Val Cys Phe Phe
Val Glu His Met
Val Glu Met His
Val Phe Cys Phe
Val Phe Phe Cys
Val His Glu Met
Val His Met Glu
Val Met Glu His
Val Met His Glu
Tyr Ala Asp Phe
Tyr Ala Phe Asp
Tyr Asp Ala Phe
Tyr Asp Phe Ala
Tyr Glu Phe Gly
Tyr Glu Gly Phe
Tyr Phe Ala Asp
Tyr Phe Asp Ala
Tyr Phe Glu Gly
Tyr Phe Gly Glu
Tyr Gly Glu Phe
Tyr Gly Phe Glu
Tyr Gly Tyr Ile
Tyr Met Thr Thr
Tyr Thr Met Thr
Tyr Thr Thr Met
(7alpha,10beta)-1(10->19)-Abeo-7-acetoxyisoobacun-3,10-olide
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
2-(n-boc-amino)-5-(n-fmoc-amino)indan-2-carboxylic acid
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)
13-Deoxydaunorubicin(1+)
An organic cation that is the conjugate acid of 13-deoxydaunorubicin, obtained by protonation of the primary amino function.
[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]-[(1S,2S,3R,4R,5S,6R)-2,3,6-trihydroxy-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]azanium
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
3-[4-[2-(2-Fluorophenyl)ethylamino]-3-nitrophenyl]-3-[[2-(1-naphthalenyl)-1-oxoethyl]amino]propanamide
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
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-chlorophenyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
(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
[6-(2,4-Dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(5-hydroxy-2,2-dimethylchromen-6-yl)methanone
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. 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].
SNAP 94847 (hydrochloride)
C29H33ClF2N2O2 (514.2198492000001)
SNAP 94847 hydrochloride is a novel, high affinity selective melanin-concentrating hormonereceptor1 (MCHR1) antagonist with (Ki= 2.2 nM, Kd=530 pM), it displays >80-fold and >500-fold selectivity over?MCHα1A?and MCHD2?receptors respectively. SNAP 94847 hydrochloride binds with high affinity to the mouse and rat MCHR1 with minimal cross-reactivity to other GPCR, ion channels, enzymes, and transporters[1][3].
Tripeptide-41
Tripeptide-41(CG-Lipoxyn)isa bioactive peptide withreduce fat accumulationeffect and has been reported used as a cosmetic ingredient[1].
(8s,9s,10r,11s)-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
(1r,2r,7s,10r,12r,13s,14r,16s,19s,20s)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,17-dioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-12-yl acetate
(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl (4r)-4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate
n-[1-(5-{[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)-2-hydroxypyrimidin-4-ylidene]-3-(methylsulfanyl)prop-2-enamide
(1'r,2's,3s,3'r,6's,7's,10's,11's,14's)-11'-(furan-3-yl)-6'-hydroxy-2,2,2',6',10'-pentamethyl-6,13'-dioxo-12',15'-dioxaspiro[pyran-3,5'-tetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan]-3'-yl acetate
(8s,9s,10r)-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 (2z)-2-methylbut-2-enoate
(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
[3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate
(2e)-n-{1-[(2s,4s,5r,6r)-5-{[(2s,3r,4s,5r,6s)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]-2-hydroxypyrimidin-4-ylidene}-3-(methylsulfanyl)prop-2-enamide
(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,2r,4s,7s,8s,10s,11r,12r,18r,20r)-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
(1s,2r,4s,7r,8s,11r,12r,17s,19r)-7-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl acetate
methyl 15-(acetyloxy)-7-hydroxy-5,7,10,14,14-pentamethyl-4-methylidene-6,8,18-trioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadec-2-ene-9-carboxylate
3,8,9-trihydroxy-7-{10-hydroxy-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl}-3-methyl-2,4-dihydroanthracen-1-one
(8s,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 (2z)-2-methylbut-2-enoate
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
2-(furan-3-yl)-4a,9,10-trihydroxy-10b-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,1-c]pyran-4-one
11β-hydroxy-7α-obacunyl acetate
{"Ingredient_id": "HBIN000365","Ingredient_name": "11\u03b2-hydroxy-7\u03b1-obacunyl acetate","Alias": "NA","Ingredient_formula": "C28H34O9","Ingredient_Smile": "CC(=O)OC1CC2C(OC(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3O)C)C6=COC=C6)C)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10543","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,7,4'-trihydroxy-3'-(8''-acetoxy-7''-methyl-octyl)-5,6-dimethoxyflavone
{"Ingredient_id": "HBIN007764","Ingredient_name": "3,7,4'-trihydroxy-3'-(8''-acetoxy-7''-methyl-octyl)-5,6-dimethoxyflavone","Alias": "NA","Ingredient_formula": "C28H34O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21669","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
angeloyl gomisin p
{"Ingredient_id": "HBIN016114","Ingredient_name": "angeloyl gomisin p","Alias": "angeloylgomisin p","Ingredient_formula": "C28H34O9","Ingredient_Smile": "CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3CC(C1(C)O)C)OCO4)OC)OC)OC)OC","Ingredient_weight": "514.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1208;30605","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "13844273","DrugBank_id": "NA"}
(8s,9r,10r)-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
(11r,12r,15r,24s,25s)-12-hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.0³,⁷.0⁸,²².0¹⁶,²¹]pentacosa-1(22),2,7,16(21),17,19-hexaen-13-one
[(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
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 2-methylbut-2-enoate
(8r,9s,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 (2z)-2-methylbut-2-enoate
(2s,4as,6as,7r,9s,10r,10ar,10bs)-2-(furan-3-yl)-4a,9,10-trihydroxy-10b-methyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,1-c]pyran-4-one
3-[2-(furan-3-yl)-4-[4-methoxy-6-(2-methoxy-2-oxoethyl)-5,5,7-trimethyl-6,7-dihydro-4h-1-benzofuran-2-yl]-3-methyl-6-oxo-2h-pyran-3-yl]propanoic acid
(2e)-n-{1-[(2r,4r,5s,6r)-5-{[(2r,3r,4s,5s,6r)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]-2-hydroxypyrimidin-4-ylidene}-3-(methylsulfanyl)prop-2-enamide
12-hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.0³,⁷.0⁸,²².0¹⁶,²¹]pentacosa-1(22),2,7,16(21),17,19-hexaen-13-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(19),2(7),3,5,12,14(18)-hexaen-11-yl (2e)-2-methylbut-2-enoate
19-(furan-3-yl)-9,9,13,20-tetramethyl-5,17-dioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-12-yl acetate
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)
(1s,4ar,6r,6ar,8r,10r,10as,10bs)-6-(acetyloxy)-8-ethenyl-1,6a-dihydroxy-4,4,8,10b-tetramethyl-3,7-dioxo-hexahydro-1h-naphtho[1,2-c]pyran-10-yl benzoate
4-hydroxy-15-methoxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2h-1,3-benzodioxole-5-carboxylate
n-[2-hydroxy-1-(3,4,5-trihydroxy-6-{[2-(2-hydroxybenzoyloxy)ethyl]sulfanyl}oxan-2-yl)propyl]-1-methylpyrrolidine-2-carboximidic acid
C23H34N2O9S (514.1984914000001)
(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
(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-butyl 1-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxy-2-(2-methylpropyl)butanedioate
[(2r,3r,4s,5r,6s)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methyl (4s)-4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate
(2e)-n-[1-(5-{[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)-2-hydroxypyrimidin-4-ylidene]-3-(methylsulfanyl)prop-2-enamide
(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
n-[2-methoxy-1-(3,4,5-trihydroxy-6-{[2-(2-hydroxybenzoyloxy)ethyl]sulfanyl}oxan-2-yl)propyl]pyrrolidine-2-carboximidic acid
C23H34N2O9S (514.1984914000001)
(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
2-{3-[(2-amino-1,3-dihydroxypropylidene)amino]-6-[2-hydroxy-5-(hydroxymethyl)-4-iminopyrimidin-1-yl]-3,6-dihydro-2h-pyran-2-yl}-5-carbamimidamido-2,4-dihydroxypentanoic acid
(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
(2s)-n-[(1r,2r)-2-hydroxy-1-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-{[2-(2-hydroxybenzoyloxy)ethyl]sulfanyl}oxan-2-yl]propyl]-1-methylpyrrolidine-2-carboximidic acid
C23H34N2O9S (514.1984914000001)
7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl acetate
methyl (1s,5r,7r,9r,10s,12s,15s)-15-(acetyloxy)-7-hydroxy-5,7,10,14,14-pentamethyl-4-methylidene-6,8,18-trioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadec-2-ene-9-carboxylate
(3r)-3,8,9-trihydroxy-7-[(1r,3r)-10-hydroxy-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-3-methyl-2,4-dihydroanthracen-1-one
3-[(2r,3r)-2-(furan-3-yl)-4-[(4r,6r,7r)-4-methoxy-6-(2-methoxy-2-oxoethyl)-5,5,7-trimethyl-6,7-dihydro-4h-1-benzofuran-2-yl]-3-methyl-6-oxo-2h-pyran-3-yl]propanoic acid
11'-(furan-3-yl)-6'-hydroxy-2,2,2',6',10'-pentamethyl-6,13'-dioxo-12',15'-dioxaspiro[pyran-3,5'-tetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan]-3'-yl acetate
(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 (2z)-2-methylbut-2-enoate
(2s)-n-[(1r,2r)-2-methoxy-1-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-{[2-(2-hydroxybenzoyloxy)ethyl]sulfanyl}oxan-2-yl]propyl]pyrrolidine-2-carboximidic acid
C23H34N2O9S (514.1984914000001)
4-[2,4-dihydroxy-6-(2-oxoheptyl)benzoyloxy]-2-hydroxy-6-(2-oxoheptyl)benzoic acid
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 2-methylbut-2-enoate
(1r,2r,4s,7s,8s,11r,12r,13r,18r)-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
(1r,2r,7s,10r,13s,14r,16s,19s,20s)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,17-dioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-12-yl acetate
(8s,9s,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 (2z)-2-methylbut-2-enoate
2-hydroxy-6-[2-(4-{3-[2-(4-hydroxyphenyl)ethyl]-5-methoxyphenoxy}phenyl)ethyl]-4-methoxybenzoic acid
methyl 15-(acetyloxy)-4,5,7,10,14,14-hexamethyl-6,8,18-trioxo-19,20-dioxahexacyclo[10.5.2.1⁴,⁷.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-2-ene-9-carboxylate
3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate
8-[5-(3,7-dihydroxy-5,6-dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-2-methyloctyl acetate
(1r,2r,4e,6s,7r,9s)-13-[(4e)-hex-4-enoyl]-6,7,10,12-tetrahydroxy-4-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-10,12-diene-3,5-dione
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 2-methylbut-2-enoate
(1s,2r,4s,7r,8r,12r,19r)-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl acetate
6-(acetyloxy)-8-ethenyl-1,6a-dihydroxy-4,4,8,10b-tetramethyl-3,7-dioxo-hexahydro-1h-naphtho[1,2-c]pyran-10-yl benzoate
(8r,9s,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
methyl (1r,4s,5r,7s,9s,10r,12r,13s,15r)-15-(acetyloxy)-4,5,7,10,14,14-hexamethyl-6,8,18-trioxo-19,20-dioxahexacyclo[10.5.2.1⁴,⁷.0¹,¹³.0²,¹⁰.0⁵,⁹]icos-2-ene-9-carboxylate
(1s,2r,4s,7r,8s,12r,19r)-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-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
(10r,13r,22s,23s)-10-[(2r)-1-hydroxypropan-2-yl]-16,17,18-trimethoxy-10,22,23-trimethyl-4,6,9,12-tetraoxapentacyclo[11.7.3.0³,⁷.0⁸,²⁰.0¹⁴,¹⁹]tricosa-1(20),2,7,14(19),15,17-hexaen-11-one
(1r,2r,6s,7r,9s,13z)-4-[(4e)-hex-4-enoyl]-3,6,7,12-tetrahydroxy-13-[(2e,4e)-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
(1s,2r,4s,7r,8s,11r,12r,17r,19r)-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl acetate
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)