Exact Mass: 836.4241

Exact Mass Matches: 836.4241

Found 105 metabolites which its exact mass value is equals to given mass value 836.4241, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Acanthifolicin

Acanthifolicin; Acanthifolic acid

C44H68O13S (836.438)


   

Lucyoside M

3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

C44H68O15 (836.4558)


Lucyoside M is found in fruits. Lucyoside M is isolated from Luffa cylindrica (smooth luffa Isolated from Luffa cylindrica (smooth luffa). Lucyoside M is found in fruits.

   

Rifametane

26-[({[1-(diethylamino)ethylidene]amino}imino)methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate

C44H60N4O12 (836.4208)


   

PGP(i-14:0/20:4(6E,8Z,11Z,14Z)+=O(5))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(12-methyltridecanoyl)oxy]-2-{[(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(i-14:0/20:4(6E,8Z,11Z,14Z)+=O(5)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-14:0/20:4(6E,8Z,11Z,14Z)+=O(5)), in particular, consists of one chain of one 12-methyltridecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(20:4(6E,8Z,11Z,14Z)+=O(5)/i-14:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(12-methyltridecanoyl)oxy]-3-{[(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(20:4(6E,8Z,11Z,14Z)+=O(5)/i-14:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(20:4(6E,8Z,11Z,14Z)+=O(5)/i-14:0), in particular, consists of one chain of one 5-oxo-eicosatetraenoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-14:0/20:4(5Z,8Z,11Z,13E)+=O(15))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(12-methyltridecanoyl)oxy]-2-{[(5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(i-14:0/20:4(5Z,8Z,11Z,13E)+=O(15)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-14:0/20:4(5Z,8Z,11Z,13E)+=O(15)), in particular, consists of one chain of one 12-methyltridecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(20:4(5Z,8Z,11Z,13E)+=O(15)/i-14:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(12-methyltridecanoyl)oxy]-3-{[(5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(20:4(5Z,8Z,11Z,13E)+=O(15)/i-14:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(20:4(5Z,8Z,11Z,13E)+=O(15)/i-14:0), in particular, consists of one chain of one 15-oxo-eicosatetraenoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosa-5,8,11,14,16-pentaenoyl]oxy}-3-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)), in particular, consists of one chain of one 12-methyltridecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-14:0)

PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-14:0)

C40H70O14P2 (836.4241)


PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-14:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-14:0), in particular, consists of one chain of one 18-hydroxyleicosapentaenoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(5Z,8Z,11Z,13E,17Z)-16-hydroxyicosa-5,8,11,13,17-pentaenoyl]oxy}-3-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)), in particular, consists of one chain of one 12-methyltridecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/i-14:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(5Z,8Z,11Z,13E,17Z)-16-hydroxyicosa-5,8,11,13,17-pentaenoyl]oxy}-2-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/i-14:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/i-14:0), in particular, consists of one chain of one 15-hydroxyleicosapentaenyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-14:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoyl]oxy}-3-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(i-14:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-14:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)), in particular, consists of one chain of one 12-methyltridecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/i-14:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoyl]oxy}-2-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/i-14:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/i-14:0), in particular, consists of one chain of one 12-hydroxyleicosapentaenoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-14:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoyl]oxy}-3-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(i-14:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-14:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)), in particular, consists of one chain of one 12-methyltridecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-14:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoyl]oxy}-2-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H70O14P2 (836.4241)


PGP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-14:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-14:0), in particular, consists of one chain of one 5-hydroxyleicosapentaenoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

Cyclosquamosin D

15-(hydroxymethyl)-18,21-bis[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-9-(propan-2-yl)-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-1,4,7,10,13,16,19,22-octone

C41H56N8O11 (836.4068)


Constituent of the seeds of Annona squamosa (sugar apple). Cyclosquamosin D is found in fruits.

   

Anabaenopeptin B

Anabaenopeptin B

C41H60N10O9 (836.4545)


CONFIDENCE standard compound; UCHEM_ID 4361; NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk) UCHEM_ID 4361; CONFIDENCE standard compound; NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk)

   
   

Neohalichondramide

Neohalichondramide

C44H60N4O12 (836.4208)


   
   

bottromycin C2|N-[(3S,6S,14R,14aS)-6-tert-butyl-3-isopropyl-14,14-dimethyl-1,4,10-trioxododecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-7(8H)-yliden]-3-methyl-L-valyl-(betaS)-N-[(1R)-3-methoxy-3-oxo-1-(1,3-thiazol-2-yl)propyl]-beta-methyl-L-phenylalanine amide

bottromycin C2|N-[(3S,6S,14R,14aS)-6-tert-butyl-3-isopropyl-14,14-dimethyl-1,4,10-trioxododecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-7(8H)-yliden]-3-methyl-L-valyl-(betaS)-N-[(1R)-3-methoxy-3-oxo-1-(1,3-thiazol-2-yl)propyl]-beta-methyl-L-phenylalanine amide

C43H64N8O7S (836.4618)


   

18,18-dibromooctadeca-9E,17-diene-5,7-diynoic acid xestosterol ester

18,18-dibromooctadeca-9E,17-diene-5,7-diynoic acid xestosterol ester

C48H70Br2O2 (836.3742)


   

5,26-Di-O-beta-D-glucopyranoside,22-Me ether-Furostane-1,2,3,4,5,22,26-heptol

5,26-Di-O-beta-D-glucopyranoside,22-Me ether-Furostane-1,2,3,4,5,22,26-heptol

C40H68O18 (836.4405)


   
   

ent-kauran-3alpha,16alpha,17-triol-19-al 3-O-[5-O-E-sinapoyl-beta-D-apiopyranosyl(1->6)]-beta-D-glucopyranoside|tricalysioside W

ent-kauran-3alpha,16alpha,17-triol-19-al 3-O-[5-O-E-sinapoyl-beta-D-apiopyranosyl(1->6)]-beta-D-glucopyranoside|tricalysioside W

C42H60O17 (836.383)


   
   

(3S,5R,8R,9R,10S,14S,17S)-3beta-hydroxy-18(19)-diene-20-one-kudinone-3-O-(3-O-beta-D-glucopyranosyl-2-O-alpha-L-rhamnopyranosyl)-alpha-L-arabinopyranoside|ilekudinchoside E

(3S,5R,8R,9R,10S,14S,17S)-3beta-hydroxy-18(19)-diene-20-one-kudinone-3-O-(3-O-beta-D-glucopyranosyl-2-O-alpha-L-rhamnopyranosyl)-alpha-L-arabinopyranoside|ilekudinchoside E

C44H68O15 (836.4558)


   

(20R)-3beta-16alpha,20,25-Tetrahydroxy-2beta-(beta-D-tetraacetylglucopyranosyloxy)-10alpha-cucurbit-5-en-22-on

(20R)-3beta-16alpha,20,25-Tetrahydroxy-2beta-(beta-D-tetraacetylglucopyranosyloxy)-10alpha-cucurbit-5-en-22-on

C44H68O15 (836.4558)


   

Abrusoside B

(22S,24Z)-3beta-(6-methyl-beta-D-glucuronopyranosyl-(1-2)-beta-D-glucopyranosyloxy)-26-oxo-22,26-epoxy-9beta,19-cyclolanost- 24-en-28-oic acid

C43H64O16 (836.4194)


   

micropeptin MM836

micropeptin MM836

C43H60N6O11 (836.432)


   

Yunganoside E2

Yunganoside E2

C42H60O17 (836.383)


   
   

Lucyoside M

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

C44H68O15 (836.4558)


   
   

(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyo

(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyo

C43H64O16 (836.4194)


   
   

cyclo[Gly-Gly-DL-Val-DL-Leu-DL-Ser-DL-Tyr-DL-Tyr-DL-Pro]

cyclo[Gly-Gly-DL-Val-DL-Leu-DL-Ser-DL-Tyr-DL-Tyr-DL-Pro]

C41H56N8O11 (836.4068)


   

[(9Z,19Z,21Z)-26-[(E)-[(Z)-1-(diethylamino)ethylidenehydrazinylidene]methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

[(9Z,19Z,21Z)-26-[(E)-[(Z)-1-(diethylamino)ethylidenehydrazinylidene]methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

C44H60N4O12 (836.4208)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins

   

PGP(i-14:0/20:4(6E,8Z,11Z,14Z)+=O(5))

PGP(i-14:0/20:4(6E,8Z,11Z,14Z)+=O(5))

C40H70O14P2 (836.4241)


   

PGP(20:4(6E,8Z,11Z,14Z)+=O(5)/i-14:0)

PGP(20:4(6E,8Z,11Z,14Z)+=O(5)/i-14:0)

C40H70O14P2 (836.4241)


   

PGP(i-14:0/20:4(5Z,8Z,11Z,13E)+=O(15))

PGP(i-14:0/20:4(5Z,8Z,11Z,13E)+=O(15))

C40H70O14P2 (836.4241)


   

PGP(20:4(5Z,8Z,11Z,13E)+=O(15)/i-14:0)

PGP(20:4(5Z,8Z,11Z,13E)+=O(15)/i-14:0)

C40H70O14P2 (836.4241)


   

PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))

PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))

C40H70O14P2 (836.4241)


   

PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-14:0)

PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-14:0)

C40H70O14P2 (836.4241)


   

PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))

PGP(i-14:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))

C40H70O14P2 (836.4241)


   

PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/i-14:0)

PGP(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/i-14:0)

C40H70O14P2 (836.4241)


   

PGP(i-14:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12))

PGP(i-14:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12))

C40H70O14P2 (836.4241)


   

PGP(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/i-14:0)

PGP(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/i-14:0)

C40H70O14P2 (836.4241)


   

PGP(i-14:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))

PGP(i-14:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))

C40H70O14P2 (836.4241)


   

PGP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-14:0)

PGP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-14:0)

C40H70O14P2 (836.4241)


   

Rifampicin hemiaminal

Rifampicin hemiaminal

C43H56N4O13-2 (836.3844)


   

Rifampin para-naphthoquinone carboxamide

Rifampin para-naphthoquinone carboxamide

C43H56N4O13-2 (836.3844)


   

methyl (3R)-3-[[(2S,3S)-2-[[(2S)-2-[[(6S,9S,12S)-6-tert-butyl-13,13-dimethyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]-3,3-dimethylbutanoyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate

methyl (3R)-3-[[(2S,3S)-2-[[(2S)-2-[[(6S,9S,12S)-6-tert-butyl-13,13-dimethyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]-3,3-dimethylbutanoyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate

C43H64N8O7S (836.4618)


   

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C39H66O15P2 (836.3877)


   

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (10E,13E,16E)-nonadeca-10,13,16-trienoate

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (10E,13E,16E)-nonadeca-10,13,16-trienoate

C44H69O13P (836.4476)


   

[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoate

[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoate

C44H69O13P (836.4476)


   

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,10E,13E,16E)-nonadeca-7,10,13,16-tetraenoate

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,10E,13E,16E)-nonadeca-7,10,13,16-tetraenoate

C44H69O13P (836.4476)


   

Acanthifolic acid

Acanthifolic acid

C44H68O13S (836.438)


   

DGDG O-29:8;O

DGDG O-29:8;O

C44H68O15 (836.4558)


   

SMGDG O-35:9;O

SMGDG O-35:9;O

C44H68O13S (836.438)


   
   
   

PG 18:4/20:5;O3

PG 18:4/20:5;O3

C44H69O13P (836.4476)


   
   
   
   

PI P-20:0/12:3;O3

PI P-20:0/12:3;O3

C41H73O15P (836.4687)


   

PI P-20:1/12:2;O3

PI P-20:1/12:2;O3

C41H73O15P (836.4687)


   

PI 14:1/18:2;O2

PI 14:1/18:2;O2

C41H73O15P (836.4687)


   

PI 20:0/12:3;O2

PI 20:0/12:3;O2

C41H73O15P (836.4687)


   

PI 20:1/11:3;O3

PI 20:1/11:3;O3

C40H69O16P (836.4323)


   

PI 20:1/12:2;O2

PI 20:1/12:2;O2

C41H73O15P (836.4687)


   
   
   
   
   

6-{[5-(butanoyloxy)-2-[(4-carbamimidamidobutyl)-c-hydroxycarbonimidoyl]-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-methylpentanoyl)-octahydroindol-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[5-(butanoyloxy)-2-[(4-carbamimidamidobutyl)-c-hydroxycarbonimidoyl]-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-methylpentanoyl)-octahydroindol-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C39H60N6O14 (836.4167)


   

6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-14,15,16,17-tetrol

6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-14,15,16,17-tetrol

C40H68O18 (836.4405)


   

5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,14a-decahydro-1h-picen-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,14a-decahydro-1h-picen-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

C42H60O17 (836.383)


   

(1s,2s,4s,6r,7s,8r,9s,12s,13s,14s,15s,16s,17s,18r)-6-methoxy-7,9,13-trimethyl-6-[(3r)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-14,15,16,17-tetrol

(1s,2s,4s,6r,7s,8r,9s,12s,13s,14s,15s,16s,17s,18r)-6-methoxy-7,9,13-trimethyl-6-[(3r)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-14,15,16,17-tetrol

C40H68O18 (836.4405)


   

(1s,2s,4s,6r,7s,8r,9s,12s,13s,14s,15s,16s,17s,18r)-6-methoxy-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-14,15,16,17-tetrol

(1s,2s,4s,6r,7s,8r,9s,12s,13s,14s,15s,16s,17s,18r)-6-methoxy-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-18-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-14,15,16,17-tetrol

C40H68O18 (836.4405)


   

(2s,3s,4s,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,8ar,11r,14ar,14bs)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,14a-decahydro-1h-picen-3-yl]oxy}-5-{[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,8ar,11r,14ar,14bs)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,14a-decahydro-1h-picen-3-yl]oxy}-5-{[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

C42H60O17 (836.383)


   

6-[2,4-bis(4-{5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl}buta-1,3-dien-1-yl)-3-(4-methoxy-3-methyl-6-oxopyran-2-yl)cyclobutyl]-4-methoxy-5-methylpyran-2-one

6-[2,4-bis(4-{5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl}buta-1,3-dien-1-yl)-3-(4-methoxy-3-methyl-6-oxopyran-2-yl)cyclobutyl]-4-methoxy-5-methylpyran-2-one

C46H60O14 (836.3983)


   

n-[2,5-dibenzyl-6,13,16,21-tetrahydroxy-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

n-[2,5-dibenzyl-6,13,16,21-tetrahydroxy-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

C43H60N6O11 (836.432)


   

abrusoside b

NA

C43H64O16 (836.4194)


{"Ingredient_id": "HBIN014266","Ingredient_name": "abrusoside b","Alias": "NA","Ingredient_formula": "C43H64O16","Ingredient_Smile": "CC1=CCC(OC1=O)C(C)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C(=O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

[(2r,3r,4s,5r,6r)-6-{[(1r,2r,3as,3br,7r,8s,9as,9br,11ar)-1-[(2r)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-8-yl]oxy}-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate

[(2r,3r,4s,5r,6r)-6-{[(1r,2r,3as,3br,7r,8s,9as,9br,11ar)-1-[(2r)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-8-yl]oxy}-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate

C44H68O15 (836.4558)


   

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2,5-dibenzyl-8-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2,5-dibenzyl-8-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

C43H60N6O11 (836.432)


   

n-[(1e,4r,5r,9s,10s)-11-[(10r,11s,13e,16r,20s,21r,24e)-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-en-1-yl]-n-methylformamide

n-[(1e,4r,5r,9s,10s)-11-[(10r,11s,13e,16r,20s,21r,24e)-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-en-1-yl]-n-methylformamide

C44H60N4O12 (836.4208)


   

(2s)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-12-isopropyl-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-5-carbamimidamidopentanoic acid

(2s)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-12-isopropyl-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-5-carbamimidamidopentanoic acid

C41H60N10O9 (836.4545)


   

(1r,6r,7s,8r)-7-[(1e,3e)-4-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]buta-1,3-dien-1-yl]-1-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-5-methoxy-8-(4-methoxy-3-methyl-6-oxopyran-2-yl)-6-methyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

(1r,6r,7s,8r)-7-[(1e,3e)-4-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]buta-1,3-dien-1-yl]-1-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-5-methoxy-8-(4-methoxy-3-methyl-6-oxopyran-2-yl)-6-methyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

C46H60O14 (836.3983)


   

n-[(1e,4r,5r,9s,10s)-11-[(10s,11r,13e,16s,20s,21r,24e)-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-en-1-yl]-n-methylformamide

n-[(1e,4r,5r,9s,10s)-11-[(10s,11r,13e,16s,20s,21r,24e)-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-en-1-yl]-n-methylformamide

C44H60N4O12 (836.4208)


   

6-{[4,5-dihydroxy-6-(methoxycarbonyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

6-{[4,5-dihydroxy-6-(methoxycarbonyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

C43H64O16 (836.4194)


   

1,4,7,10,13,16,19-heptahydroxy-15-(hydroxymethyl)-18,21-bis[(4-hydroxyphenyl)methyl]-9-isopropyl-12-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

1,4,7,10,13,16,19-heptahydroxy-15-(hydroxymethyl)-18,21-bis[(4-hydroxyphenyl)methyl]-9-isopropyl-12-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

C41H56N8O11 (836.4068)


   

[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6r)-6-{[(1s,4s,5s,6r,9s,10r,13r,14r)-5-formyl-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6r)-6-{[(1s,4s,5s,6r,9s,10r,13r,14r)-5-formyl-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C42H60O17 (836.383)


   

7-(4-{5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl}buta-1,3-dien-1-yl)-1-(6-{5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl}hexa-1,3,5-trien-1-yl)-5-methoxy-8-(4-methoxy-3-methyl-6-oxopyran-2-yl)-6-methyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

7-(4-{5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl}buta-1,3-dien-1-yl)-1-(6-{5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl}hexa-1,3,5-trien-1-yl)-5-methoxy-8-(4-methoxy-3-methyl-6-oxopyran-2-yl)-6-methyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

C46H60O14 (836.3983)


   

2-hydroxy-3-(3'-hydroxy-4-{4-[8'-hydroxy-6'-(1-hydroxy-3-{3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl}butyl)-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-6-methyl-3-oxa-7-thiaspiro[bicyclo[4.1.0]heptane-2,2'-oxan]-6'-yl)-2-methylpropanoic acid

2-hydroxy-3-(3'-hydroxy-4-{4-[8'-hydroxy-6'-(1-hydroxy-3-{3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl}butyl)-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-6-methyl-3-oxa-7-thiaspiro[bicyclo[4.1.0]heptane-2,2'-oxan]-6'-yl)-2-methylpropanoic acid

C44H68O13S (836.438)


   

n-[(1e,4r,5r,9r,10r)-11-[(10s,11s,14e,16s,20r,21r,24z)-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,14,24,26(29)-octaen-20-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-en-1-yl]-n-methylformamide

n-[(1e,4r,5r,9r,10r)-11-[(10s,11s,14e,16s,20r,21r,24z)-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,14,24,26(29)-octaen-20-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-en-1-yl]-n-methylformamide

C44H60N4O12 (836.4208)


   

(2r)-3-[(1s,2s,3'r,4s,6r,6's)-4-[(2r,3e)-4-[(2r,4'ar,5r,6's,8'r,8'as)-8'-hydroxy-6'-[(1s,3s)-1-hydroxy-3-[(2s,3r,6s)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-3'-hydroxy-6-methyl-3-oxa-7-thiaspiro[bicyclo[4.1.0]heptane-2,2'-oxan]-6'-yl]-2-hydroxy-2-methylpropanoic acid

(2r)-3-[(1s,2s,3'r,4s,6r,6's)-4-[(2r,3e)-4-[(2r,4'ar,5r,6's,8'r,8'as)-8'-hydroxy-6'-[(1s,3s)-1-hydroxy-3-[(2s,3r,6s)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-3'-hydroxy-6-methyl-3-oxa-7-thiaspiro[bicyclo[4.1.0]heptane-2,2'-oxan]-6'-yl]-2-hydroxy-2-methylpropanoic acid

C44H68O13S (836.438)


   

(9s,12s,15s,18s,21s,26as)-1,4,7,10,13,16,19-heptahydroxy-15-(hydroxymethyl)-18,21-bis[(4-hydroxyphenyl)methyl]-9-isopropyl-12-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

(9s,12s,15s,18s,21s,26as)-1,4,7,10,13,16,19-heptahydroxy-15-(hydroxymethyl)-18,21-bis[(4-hydroxyphenyl)methyl]-9-isopropyl-12-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

C41H56N8O11 (836.4068)


   

[3,4,5-tris(acetyloxy)-6-{[1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-8-yl]oxy}oxan-2-yl]methyl acetate

[3,4,5-tris(acetyloxy)-6-{[1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-8-yl]oxy}oxan-2-yl]methyl acetate

C44H68O15 (836.4558)


   

{5-[(6-{[5-formyl-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4-dihydroxyoxolan-3-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

{5-[(6-{[5-formyl-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3,4-dihydroxyoxolan-3-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C42H60O17 (836.383)


   

(1s,6s,7r,8s)-7-[(1e,3e)-4-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]buta-1,3-dien-1-yl]-1-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-5-methoxy-8-(4-methoxy-3-methyl-6-oxopyran-2-yl)-6-methyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

(1s,6s,7r,8s)-7-[(1e,3e)-4-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]buta-1,3-dien-1-yl]-1-[(1e,3e,5e)-6-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-5-methoxy-8-(4-methoxy-3-methyl-6-oxopyran-2-yl)-6-methyl-2-oxabicyclo[4.2.0]oct-4-en-3-one

C46H60O14 (836.3983)


   

6-{2,4-bis[(1e,3e)-4-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]buta-1,3-dien-1-yl]-3-(4-methoxy-3-methyl-6-oxopyran-2-yl)cyclobutyl}-4-methoxy-5-methylpyran-2-one

6-{2,4-bis[(1e,3e)-4-[(2r,3r,3ar,4r,5r,6as)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]buta-1,3-dien-1-yl]-3-(4-methoxy-3-methyl-6-oxopyran-2-yl)cyclobutyl}-4-methoxy-5-methylpyran-2-one

C46H60O14 (836.3983)


   

n-(11-{16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-en-1-yl)-n-methylformamide

n-(11-{16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1²,⁵.1⁶,⁹]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl}-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-en-1-yl)-n-methylformamide

C44H60N4O12 (836.4208)


   

2-[({3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-12-isopropyl-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]-5-carbamimidamidopentanoic acid

2-[({3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-12-isopropyl-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]-5-carbamimidamidopentanoic acid

C41H60N10O9 (836.4545)