Exact Mass: 660.3923212
Exact Mass Matches: 660.3923212
Found 263 metabolites which its exact mass value is equals to given mass value 660.3923212
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Croton factor F1
D009676 - Noxae > D002273 - Carcinogens > D010703 - Phorbol Esters
Tsugaric acid A 21-glucosyl ester
Tsugaric acid A 21-glucosyl ester is found in mushrooms. Tsugaric acid A 21-glucosyl ester is a constituent of Ganoderma tsugae (red reishi). Constituent of Ganoderma tsugae (red reishi). Tsugaric acid A 21-glucosyl ester is found in mushrooms.
26-Deoxyactein
PA(10:0/PGE2)
C33H57O11P (660.3638301999999)
PA(10:0/PGE2) 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(10:0/PGE2), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of Prostaglandin E2 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(PGE2/10:0)
C33H57O11P (660.3638301999999)
PA(PGE2/10:0) 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(PGE2/10:0), in particular, consists of one chain of one Prostaglandin E2 at the C-1 position and one chain of decanoyl 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(10:0/PGD2)
C33H57O11P (660.3638301999999)
PA(10:0/PGD2) 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(10:0/PGD2), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of Prostaglandin D2 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(PGD2/10:0)
C33H57O11P (660.3638301999999)
PA(PGD2/10:0) 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(PGD2/10:0), in particular, consists of one chain of one Prostaglandin D2 at the C-1 position and one chain of decanoyl 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(10:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))
C33H57O11P (660.3638301999999)
PA(10:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 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(10:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)), in particular, consists of one chain of one decanoyl at the C-1 position and one chain of Lipoxin A4 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(7E,9E,11Z,13E)-3OH(5S,6R,15S)/10:0)
C33H57O11P (660.3638301999999)
PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/10:0) 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(7E,9E,11Z,13E)-3OH(5S,6R,15S)/10:0), in particular, consists of one chain of one Lipoxin A4 at the C-1 position and one chain of decanoyl 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(14:0/18:1(12Z)-O(9S,10R))
PA(14:0/18:1(12Z)-O(9S,10R)) 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(14:0/18:1(12Z)-O(9S,10R)), in particular, consists of one chain of one tetradecanoyl at the C-1 position and one chain of 9,10-epoxy-octadecenoyl 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(18:1(12Z)-O(9S,10R)/14:0)
PA(18:1(12Z)-O(9S,10R)/14:0) 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(18:1(12Z)-O(9S,10R)/14:0), in particular, consists of one chain of one 9,10-epoxy-octadecenoyl at the C-1 position and one chain of tetradecanoyl 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(14:0/18:1(9Z)-O(12,13))
PA(14:0/18:1(9Z)-O(12,13)) 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(14:0/18:1(9Z)-O(12,13)), in particular, consists of one chain of one tetradecanoyl at the C-1 position and one chain of 12,13-epoxy-octadecenoyl 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(18:1(9Z)-O(12,13)/14:0)
PA(18:1(9Z)-O(12,13)/14:0) 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(18:1(9Z)-O(12,13)/14:0), in particular, consists of one chain of one 12,13-epoxy-octadecenoyl at the C-1 position and one chain of tetradecanoyl 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(i-14:0/18:1(12Z)-O(9S,10R))
PA(i-14:0/18:1(12Z)-O(9S,10R)) 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(i-14:0/18:1(12Z)-O(9S,10R)), in particular, consists of one chain of one 12-methyltridecanoyl at the C-1 position and one chain of 9,10-epoxy-octadecenoyl 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(18:1(12Z)-O(9S,10R)/i-14:0)
PA(18:1(12Z)-O(9S,10R)/i-14:0) 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(18:1(12Z)-O(9S,10R)/i-14:0), in particular, consists of one chain of one 9,10-epoxy-octadecenoyl at the C-1 position and one chain of 12-methyltridecanoyl 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(i-14:0/18:1(9Z)-O(12,13))
PA(i-14:0/18:1(9Z)-O(12,13)) 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(i-14:0/18:1(9Z)-O(12,13)), in particular, consists of one chain of one 12-methyltridecanoyl at the C-1 position and one chain of 12,13-epoxy-octadecenoyl 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(18:1(9Z)-O(12,13)/i-14:0)
PA(18:1(9Z)-O(12,13)/i-14:0) 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(18:1(9Z)-O(12,13)/i-14:0), in particular, consists of one chain of one 12,13-epoxy-octadecenoyl at the C-1 position and one chain of 12-methyltridecanoyl 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).
26-Deoxyactein
26-Deoxyactein is a triterpenoid. It has a role as a metabolite. 26-Deoxyactein is a natural product found in Actaea elata, Actaea cimicifuga, and Actaea racemosa with data available. See also: Black Cohosh (part of). A natural product found in Actaea racemosa.
Gypsogenin-3-O-glucuronide
Gypsogenin-3-O-glucuronide is a ubiquitous saponin precursor in plants of the genus Gypsophila[1]. Gypsogenin-3-O-glucuronide is a ubiquitous saponin precursor in plants of the genus Gypsophila[1].
25-O-acetyl-7,8-didehydrocimigenol 3-O-alpha-L-arabinopyranoside
15-oxozoapatlin-13alpha-yl-10alpha,16alpha-dihydroxy-9alpha-methyl-20-nor-kauran-19-oic acid gamma-lactone-17-oate
(18S)-hydroxyneodihydroprotolichesterinic acid 18-O-alpha-L-rhamnopyranosyl-(1-2)-O-beta-D-glucopyranoside-(21,2-lactone)|gobienine B
3,11,22-Trioxo-16??-hydroxy-(20S,24)-epoxy-cucurbit-5,23-diene-2??-O-??-D-glucopyranoside
2-{[5,7-dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)-8-butanoyl-6-chromenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one|yungensin C
(25S)-5beta-furostan-1beta,2beta,3beta,4beta,5beta,22alpha,26-heptaol-26-O-beta-D-glucoside
11alpha,12alpha-epoxy-3beta-[(O-beta-D-glucuronopyranoside-6-O-methly ester)oxy]olean-28,13-olide|gardeniside A
21,24,25-triacetyl-7-deacetyl-6-hydroxylbrujavanone E
4-apo-beta-caroten-4-oic acid beta-D-glucopyranoside|neurosporaxanthin beta-D-glucopyranoside
3beta-O-(4-deoxy-beta-D-hex-4-enopyranosyluronic acid), 2beta-hydroxy-olean-12-en-23,18-dioic acid
3-O-(3-Acetyl-beta-D-xylopyranoside)--16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol
23-epi-26-Deoxyactein
23-epi-26-deoxyactein is a triterpenoid. It has a role as a metabolite. 23-EPI-26-Deoxyactein is a natural product found in Actaea racemosa with data available. See also: Black Cohosh (part of). A natural product found in Actaea racemosa. 23-epi-26-Deoxyactein is a natural and orally active anti-obesity and anti-cancer compound[1][2][3].
25-O-acetyl-7,8-didehydro-cimigenol-3-O-b-Dxylopyaranoside
C37H56O10_(2S,4aR,5aR,7R,7aR,8R,12aS,12bS,14aR)-1,1,5,7a,8,12a-Hexamethyl-2-(D-xylopyranosyloxy)hexadecahydro-2H-spiro[cyclopropa[1,8a]naphtho[2,1:4,5]indeno[2,1-b]pyran-10,2-[3,6]dioxabicyclo[3.1.0]hexan]-7-yl acetate
Carbaprostacyclin-biotin
Tsugaric acid A 21-glucosyl ester
OKDdiA-PA
C33H57O11P (660.3638301999999)
Neurosporaxanthin beta-D-glucopyranoside
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
2-(1,1-Dimethylethyl)-6-methyl-4-[3-[[2,4,8,10-tetrakis(1,1-dimethyleth yl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]propyl] phenol
[(2R)-2-[(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxy-3-phosphonooxypropyl] tetradecanoate
[(2R)-1-[(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] tetradecanoate
PA(10:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))
C33H57O11P (660.3638301999999)
PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/10:0)
C33H57O11P (660.3638301999999)
lumutinine C
C41H48N4O4 (660.3675367999999)
A natural product found in Alstonia macrophylla.
N-[(3S,9R,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3R,9S,10R)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3S,9S,10R)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3R,9R,10R)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3S,9R,10R)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
methyl (1R,21R,23R,24S,27E,28S,29S)-27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetrazaundecacyclo[23.11.2.16,17.124,28.01,23.03,21.04,18.07,15.09,14.023,30.031,36]tetraconta-7(15),9,11,13,31,33,35-heptaene-29-carboxylate
C41H48N4O4 (660.3675367999999)
N-[[(3S,9R,10R)-16-(benzenesulfonamido)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-(dimethylamino)-N-methylbutanamide
C34H52N4O7S (660.3556522000001)
N-[(3R,9R,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3R,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3R,9R,10R)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3S,9R,10R)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
C37H48N4O7 (660.3522817999999)
N-[(3R,9R,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3S,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3S,9S,10R)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3S,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
N-[(3R,9S,10S)-9-[[benzenesulfonyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
C34H52N4O7S (660.3556522000001)
[(1R,3R,4R,6R,12S,13S,16R,18S,21R)-1,4,6,12,17,17-hexamethyl-18-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3-yl] acetate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tridec-9-enoxy]propan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-tridecoxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoxy]propan-2-yl] tridecanoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoxy]propan-2-yl] undecanoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-undecoxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-hexadeca-9,12-dienoxy]propan-2-yl] (Z)-tridec-9-enoate
[(4E,8E,12E)-3-hydroxy-2-[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]amino]tetradeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
C37H61N2O6P (660.4267015999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
C34H61O10P (660.4002135999999)
[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
C34H61O10P (660.4002135999999)
[1-[(2-decanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
C34H61O10P (660.4002135999999)
[1-[(2-dodecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
C34H61O10P (660.4002135999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
C34H61O10P (660.4002135999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
C34H61O10P (660.4002135999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
C34H61O10P (660.4002135999999)
[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[1-decanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
C34H61O10P (660.4002135999999)
[1-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-phosphonooxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-[(6E,9E)-dodeca-6,9-dienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[(2R)-1-decanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate
C34H61O10P (660.4002135999999)
[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-phosphonooxypropyl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(E)-dodec-5-enoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
C34H61O10P (660.4002135999999)
[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (11E,13E,15E)-octadeca-11,13,15-trienoate
[1-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
C34H61O10P (660.4002135999999)
[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-phosphonooxypropyl] (7E,9E,11E,13E,15E)-octadeca-7,9,11,13,15-pentaenoate
[(2R)-1-decanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (6E,9E,12E)-octadeca-6,9,12-trienoate
C34H61O10P (660.4002135999999)
[(2S)-2-decanoyloxy-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] (6E,9E,12E)-octadeca-6,9,12-trienoate
C34H61O10P (660.4002135999999)
[(2S)-2-decanoyloxy-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate
C34H61O10P (660.4002135999999)
TG(39:10)
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Boc-Glu-Lys-Lys-AMC
Boc-Glu-Lys-Lys-AMC is a sensitive fluorogenic substrate for urokinase-activated plasmin[1].
(2s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,4e,6e,8e,10e,12e,14e,16e,18e,20e)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohex-1-en-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoate
(2e)-4-{[(1s,2r,4s,7z,10r,11r)-4-(hydroxymethyl)-8-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl]oxy}-3-methyl-4-oxobut-2-en-1-yl (3s)-3-hydroxyoctadecanoate
6,7,34,35-tetrahydroxy-33-(hydroxymethyl)-5,12,29-trimethyl-2,4,9,14,30,32-hexaoxatetracyclo[29.4.0.0³,⁸.0¹¹,¹⁵]pentatriacontane-10,13-dione
(1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate
methyl 5,9-dimethyl-14-methylidene-15-{[3,4,5-tris(acetyloxy)-6-[(prop-1-en-2-yloxy)methyl]oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
8-(3,9-dihydroxy-4,8-dimethyl-5-oxodec-6-en-2-yl)-20-hydroxy-9-methoxy-1,3,13-trimethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]icosa-2,4,10,12-tetraen-6-one
2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-16-yl acetate
(2s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,4e,6e,8e,10e,12e,14e,16e,18e,20e)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohex-1-en-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoate
12-o-palmitoyl-16-hydroxyphorbol
{"Ingredient_id": "HBIN000955","Ingredient_name": "12-o-palmitoyl-16-hydroxyphorbol","Alias": "NA","Ingredient_formula": "C38H60O9","Ingredient_Smile": "CCCCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)CO)OC(=O)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25380","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
16,23:16,24-diepoxycycloart-7-ene-3,15,25-triol; (3β,15α,23r,24r)-form,3-o-(3-acetyl-beta-d-xylopyranoside)
{"Ingredient_id": "HBIN001756","Ingredient_name": "16,23:16,24-diepoxycycloart-7-ene-3,15,25-triol; (3\u03b2,15\u03b1,23r,24r)-form,3-o-(3-acetyl-beta-d-xylopyranoside)","Alias": "NA","Ingredient_formula": "C37H56O10","Ingredient_Smile": "NA","Ingredient_weight": "660.83","OB_score": "NA","CAS_id": "150972-76-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9285","PubChem_id": "NA","DrugBank_id": "NA"}
23-epi-26-deoxyactein
{"Ingredient_id": "HBIN004083","Ingredient_name": "23-epi-26-deoxyactein","Alias": "NA","Ingredient_formula": "C37H56O10","Ingredient_Smile": "CC1CC2(C3C(O3)(CO2)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C","Ingredient_weight": "660.8 g/mol","OB_score": "8.3194382","CAS_id": "NA","SymMap_id": "SMIT12810","TCMID_id": "NA","TCMSP_id": "MOL011990","TCM_ID_id": "NA","PubChem_id": "101182169","DrugBank_id": "NA"}
3,11,22-trioxo-16α-hydroxy-(20s,24)-epoxy-cucurbit-5,23-diene-2β-o-β-d-glucopyrano-side
{"Ingredient_id": "HBIN006895","Ingredient_name": "3,11,22-trioxo-16\u03b1-hydroxy-(20s,24)-epoxy-cucurbit-5,23-diene-2\u03b2-o-\u03b2-d-glucopyrano-side","Alias": "NA","Ingredient_formula": "C36H52O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21969","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-α-(2''-o-acetyl)-d-xylopyranosyl-3β-hy-droxyolean-12-ene-28,29-dioicacid
{"Ingredient_id": "HBIN009052","Ingredient_name": "3-o-\u03b1-(2''-o-acetyl)-d-xylopyranosyl-3\u03b2-hy-droxyolean-12-ene-28,29-dioicacid","Alias": "3-o-alpha-(2''-o-acetyl)-d-xylopyranosyl-3beta-hydroxyolean-12-ene-28,29-dioic acid","Ingredient_formula": "C37H56O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "533;30356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acteol; 26-deoxy,12-ac,3-o-beta-d-xylopyranoside
{"Ingredient_id": "HBIN014628","Ingredient_name": "acteol; 26-deoxy,12-ac,3-o-beta-d-xylopyranoside","Alias": "NA","Ingredient_formula": "C37H56O10","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7172","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2r,3s,4r,7r,9s,12r,14r,16r,17r,18r,19r,21r,22s)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-9-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-16-yl acetate
(2e)-4-{[(1s,2s,4s,7e,10r,11r)-4-(hydroxymethyl)-8-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl]oxy}-3-methyl-4-oxobut-2-en-1-yl (3r)-3-hydroxyoctadecanoate
(2z,4z,10z,12z)-8-[(6e)-3,9-dihydroxy-4,8-dimethyl-5-oxodec-6-en-2-yl]-20-hydroxy-9-methoxy-1,3,13-trimethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]icosa-2,4,10,12-tetraen-6-one
10-[9-butyl-8-(4-carboxy-3-methylbuta-1,3-dien-1-yl)-9-[(3-carboxypropanoyl)oxy]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
4-{[4-(hydroxymethyl)-8-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl]oxy}-3-methyl-4-oxobut-2-en-1-yl 3-hydroxyoctadecanoate
5-(2-{3,7-dihydroxy-1-isopropyl-8a,10a-dimethyl-2,6-dioxo-1h,4h,7h,8h,9h,10h-cyclohexa[f]azulen-5-yl}ethyl)-2,7-dihydroxy-1-isopropyl-8a,10a-dimethyl-7h,8h,9h,10h-cyclohexa[f]azulene-3,6-dione
(1r,3r)-1-[(2s)-3,3-dimethyloxiran-2-yl]-3-[(1r,3r,6s,8r,12r,13r,15r,16r)-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-15-yl]butyl acetate
methyl (1r,3s,4s,6s,17s,18s,21r,23r,24s,27e,28s,29r)-27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetraazaundecacyclo[23.11.2.1⁶,¹⁷.1²⁴,²⁸.0¹,²³.0³,²¹.0⁴,¹⁸.0⁷,¹⁵.0⁹,¹⁴.0²³,³⁰.0³¹,³⁶]tetraconta-7(15),9,11,13,31,33,35-heptaene-29-carboxylate
C41H48N4O4 (660.3675367999999)
(1r,3r)-1-[(2s)-3,3-dimethyloxiran-2-yl]-3-[(1r,3r,6s,8r,12r,13r,15r,16r)-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-15-yl]butyl acetate
(1r,7s,10s,18s,21s,24s)-7,24-dihydroxy-15,29-diisopropyl-9,9,22,22-tetramethyl-2,17,32,33-tetraoxanonacyclo[16.8.4.2⁵,¹².2¹⁹,²⁶.0¹,¹⁸.0³,¹⁶.0⁴,¹³.0⁵,¹⁰.0²¹,²⁶]tetratriaconta-3,13,15,29-tetraene-27,28-dione
[(2r,3s,4s,5r,6r)-6-{[(1s,2r,3r,5r,7r,10s,11r,14r,15s)-7-(acetyloxy)-2,6,6,10-tetramethyl-15-[(2s)-3-methylidene-4-oxobutan-2-yl]pentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(1s,1'r,2s,3'r,4'r,5s,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4',5,6',12',17',17'-hexamethyl-18'-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(4r)-2-acetyl-6-{[(2r)-8-butanoyl-5,7-dihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-6-yl]methyl}-4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one
[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17s,18r)-2-hydroxy-4,5,9,13,20,20-hexamethyl-10-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-9-yl]methyl acetate
(1s,1'r,2s,3'r,4'r,5s,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4',5,6',12',17',17'-hexamethyl-18'-{[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1s,1'r,2r,3'r,4'r,5s,5'r,6'r,10's,12's,13's,16'r,18's,21'r)-4',5,6',12',17',17'-hexamethyl-18'-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
(1s,2s,13s,15r)-15-[(2z)-4,4-dimethoxy-3-methylbut-2-en-1-yl]-7-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-en-1-yl)-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraene-10,14-dione
1-(3,3-dimethyloxiran-2-yl)-3-{13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-15-yl}butyl acetate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(1r,3ar,5ar,7r,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate
(1r,2r,3as,3br,9ar,9br,11ar)-2-hydroxy-1-[(2r)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-3a,6,6,9b,11a-pentamethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione
2-hydroxy-1-(2-hydroxy-6-methyl-3-oxohept-6-en-2-yl)-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione
(3e,5z,7r,8r,9s,10s,11r,13z,15z,17s,18r)-18-[(2s,3r,4s,6e,8s,9r,10e)-3,9-dihydroxy-4,8-dimethyl-5-oxododeca-6,10-dien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
(7r,8ar,10ar)-5-{2-[(1r,7s,8ar,10ar)-3,7-dihydroxy-1-isopropyl-8a,10a-dimethyl-2,6-dioxo-1h,4h,7h,8h,9h,10h-cyclohexa[f]azulen-5-yl]ethyl}-2,7-dihydroxy-1-isopropyl-8a,10a-dimethyl-7h,8h,9h,10h-cyclohexa[f]azulene-3,6-dione
(1s,2r,3s,4r,7r,9s,12r,14r,16r,17r,18r,19r,21r,22s)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-9-{[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-16-yl acetate
2-{2-hydroxy-3,8,8,17,19-pentamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracos-4-en-22-yl}propan-2-yl acetate
(1r,2r,3as,3bs,9ar,9br,11ar)-2-hydroxy-1-[(2r)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-3a,6,6,9b,11a-pentamethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate
13-(acetyloxy)-1,6-dihydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl hexadecanoate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(3ar,5ar,7r)-7-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoate
2-[(2r,5s)-5-[(1s,3ar,3br,5as,7r,9r,9ar,9bs,11r,11ar)-7,9,11-tris(acetyloxy)-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-yl]propan-2-yl acetate
4',5,6',12',17',17'-hexamethyl-18'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosan]-3'-yl acetate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohex-1-en-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoate
(6-{[7-(acetyloxy)-2,6,6,10-tetramethyl-15-(3-methylidene-4-oxobutan-2-yl)pentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate
(1s,3br,4r,5as,7r,9s,9as,9br,11as)-4,9-bis(acetyloxy)-3b,6,6,9a,11a-pentamethyl-1-[(3s)-6-(propan-2-ylidene)oxan-3-yl]-1h,2h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl benzoate
(1s,2s,4r,5s,6s,10s,11r,12r,13r,14s,15r)-13-(acetyloxy)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0²,⁴.0⁶,¹⁰]pentadec-8-en-15-yl (2e,4e)-tetradeca-2,4-dienoate
(1r,8s,9s,10s)-3,4-dihydroxy-5-isopropyl-11,11-dimethyl-15-oxo-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-8-yl (4ar,10as)-5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
(2r,3s,4r,7r,9s,12r,14r,16r,17r,18r,19r,21r,22s)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-9-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-16-yl acetate
methyl (1r,12s,14s,15e,18s)-15-ethylidene-12-[(1r,12r,13s,14s,15e)-15-ethylidene-1-hydroxy-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-7-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraene-18-carboxylate
C41H48N4O4 (660.3675367999999)