Exact Mass: 812.3747886

Exact Mass Matches: 812.3747886

Found 72 metabolites which its exact mass value is equals to given mass value 812.3747886, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

PGP(i-12:0/20:3(6,8,11)-OH(5))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C38H70O14P2 (812.4240580000001)


PGP(i-12:0/20:3(6,8,11)-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-12:0/20:3(6,8,11)-OH(5)), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of 5-hydroxyeicosatetrienoyl 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(20:3(6,8,11)-OH(5)/i-12:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxy}-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C38H70O14P2 (812.4240580000001)


PGP(20:3(6,8,11)-OH(5)/i-12:0) 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(20:3(6,8,11)-OH(5)/i-12:0), in particular, consists of one chain of one 5-hydroxyeicosatetrienoyl at the C-1 position and one chain of 10-methylundecanoyl 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-14:0/18:2(10E,12Z)+=O(9))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(12-methyltridecanoyl)oxy]-2-{[(10E,12Z)-9-oxooctadeca-10,12-dienoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C38H70O14P2 (812.4240580000001)


PGP(i-14:0/18:2(10E,12Z)+=O(9)) 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-14:0/18:2(10E,12Z)+=O(9)), in particular, consists of one chain of one 12-methyltridecanoyl at the C-1 position and one chain of 9-oxo-octadecadienoyl 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(18:2(10E,12Z)+=O(9)/i-14:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(12-methyltridecanoyl)oxy]-3-{[(10E,12Z)-9-oxooctadeca-10,12-dienoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C38H70O14P2 (812.4240580000001)


PGP(18:2(10E,12Z)+=O(9)/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(18:2(10E,12Z)+=O(9)/i-14:0), in particular, consists of one chain of one 9-oxo-octadecadienoyl 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-14:0/18:2(9Z,11E)+=O(13))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(12-methyltridecanoyl)oxy]-2-{[(9Z,11E)-13-oxooctadeca-9,11-dienoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C38H70O14P2 (812.4240580000001)


PGP(i-14:0/18:2(9Z,11E)+=O(13)) 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-14:0/18:2(9Z,11E)+=O(13)), in particular, consists of one chain of one 12-methyltridecanoyl at the C-1 position and one chain of 13-oxo-octadecadienoyl 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(18:2(9Z,11E)+=O(13)/i-14:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(12-methyltridecanoyl)oxy]-3-{[(9Z,11E)-13-oxooctadeca-9,11-dienoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C38H70O14P2 (812.4240580000001)


PGP(18:2(9Z,11E)+=O(13)/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(18:2(9Z,11E)+=O(13)/i-14:0), in particular, consists of one chain of one 13-oxo-octadecadienoyl 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-14:0/18:3(10,12,15)-OH(9))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoyl]oxy}-3-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C38H70O14P2 (812.4240580000001)


PGP(i-14:0/18:3(10,12,15)-OH(9)) 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-14:0/18:3(10,12,15)-OH(9)), in particular, consists of one chain of one 12-methyltridecanoyl at the C-1 position and one chain of 9-hydroxyoctadecatrienoyl 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(18:3(10,12,15)-OH(9)/i-14:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoyl]oxy}-2-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C38H70O14P2 (812.4240580000001)


PGP(18:3(10,12,15)-OH(9)/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(18:3(10,12,15)-OH(9)/i-14:0), in particular, consists of one chain of one 9-hydroxyoctadecatrienoyl 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-14:0/18:3(9,11,15)-OH(13))

PGP(i-14:0/18:3(9,11,15)-OH(13))

C38H70O14P2 (812.4240580000001)


PGP(i-14:0/18:3(9,11,15)-OH(13)) 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-14:0/18:3(9,11,15)-OH(13)), in particular, consists of one chain of one 12-methyltridecanoyl at the C-1 position and one chain of 13-hydroxyoctadecatrienoyl 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(18:3(9,11,15)-OH(13)/i-14:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoyl]oxy}-2-[(12-methyltridecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C38H70O14P2 (812.4240580000001)


PGP(18:3(9,11,15)-OH(13)/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(18:3(9,11,15)-OH(13)/i-14:0), in particular, consists of one chain of one 13-hydroxyoctadecatrienoyl 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).

   
   
   

shuangancistrotectorine A|shuangancistrotectorine B

shuangancistrotectorine A|shuangancistrotectorine B

C50H56N2O8 (812.4036456000001)


   
   
   

8beta-Hydroxy-15-oxo-uzarigenin-3beta-O-(beta-D-digitoxosido-beta-D-xylosido-alpha-L-rhamnosid)|8beta-Hydroxy-15-oxo-uzarigenin-3beta-O-

8beta-Hydroxy-15-oxo-uzarigenin-3beta-O-(beta-D-digitoxosido-beta-D-xylosido-alpha-L-rhamnosid)|8beta-Hydroxy-15-oxo-uzarigenin-3beta-O-

C40H60O17 (812.3830310000001)


   

12alpha,20alpha-epoxy-3beta-hydroxy-14beta,17alpha-pregn-5-en-11,15-dione 3-O-[beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-diginopyranoside]

12alpha,20alpha-epoxy-3beta-hydroxy-14beta,17alpha-pregn-5-en-11,15-dione 3-O-[beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-diginopyranoside]

C40H60O17 (812.3830310000001)


   
   
   

shuangancistrotectorine D|shuangancistrotectorine E

shuangancistrotectorine D|shuangancistrotectorine E

C50H56N2O8 (812.4036456000001)


   
   
   
   

1beta,3beta-dihydroxypregna-5,16-dien-20-one 1-O-[O-alpha-L-rhamnopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-6-O-acetyl-beta-D-glucopyranoside

1beta,3beta-dihydroxypregna-5,16-dien-20-one 1-O-[O-alpha-L-rhamnopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-6-O-acetyl-beta-D-glucopyranoside

C40H60O17 (812.3830310000001)


   

3-Butyl-2-[(E)-2-{(3E)-3-[(2Z)-2-(3-butyl-1,1-dimethyl-1,3-dihydr o-2H-benzo[e]indol-2-ylidene)ethylidene]-2-chloro-1-cyclohexen-1- yl}vinyl]-1,1-dimethyl-1H-benzo[e]indolium hexafluorophosphate

3-Butyl-2-[(E)-2-{(3E)-3-[(2Z)-2-(3-butyl-1,1-dimethyl-1,3-dihydr o-2H-benzo[e]indol-2-ylidene)ethylidene]-2-chloro-1-cyclohexen-1- yl}vinyl]-1,1-dimethyl-1H-benzo[e]indolium hexafluorophosphate

C46H52ClF6N2P (812.3460624)


   

aclacinomycin A(1+)

aclacinomycin A(1+)

C42H54NO15+ (812.3493274)


An anthracycline cation that is the conjugate acid of aclacinomycin A, obtained by protonation of the tertiary amino group.

   
   
   
   
   
   
   
   
   
   
   

Veraguamide K

Veraguamide K

C39H65BrN4O9 (812.393466)


A natural product found in Oscillatoria margaritifera PAC-17-FEB-10-2.

   
   
   
   
   
   
   

15,26-dimethyl (2r,6r,11s,12s,13s,22s,23s,24s,35r,38r,39r)-13,24-diethyl-11,12,23,32-tetrahydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetraazaundecacyclo[22.13.1.1⁶,⁹.0²,²².0³,²⁰.0⁵,¹⁸.0⁶,¹⁶.0²⁷,³⁵.0²⁹,³⁴.0³⁵,³⁸.0¹³,³⁹]nonatriaconta-3(20),4,15,18,26,29(34),30,32-octaene-15,26-dicarboxylate

15,26-dimethyl (2r,6r,11s,12s,13s,22s,23s,24s,35r,38r,39r)-13,24-diethyl-11,12,23,32-tetrahydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetraazaundecacyclo[22.13.1.1⁶,⁹.0²,²².0³,²⁰.0⁵,¹⁸.0⁶,¹⁶.0²⁷,³⁵.0²⁹,³⁴.0³⁵,³⁸.0¹³,³⁹]nonatriaconta-3(20),4,15,18,26,29(34),30,32-octaene-15,26-dicarboxylate

C44H52N4O11 (812.3632402000001)


   

8-bromo-n-[1-({1-[(1-{2-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)(methyl)carbamoyl]pyrrolidin-1-yl}-3-methyl-1-oxopentan-2-yl)oxy]-3-methyl-1-oxobutan-2-yl}(methyl)carbamoyl)-2-methylpropyl]-3-hydroxy-2-methyloct-7-ynimidic acid

8-bromo-n-[1-({1-[(1-{2-[(1-ethoxy-3-methyl-1-oxobutan-2-yl)(methyl)carbamoyl]pyrrolidin-1-yl}-3-methyl-1-oxopentan-2-yl)oxy]-3-methyl-1-oxobutan-2-yl}(methyl)carbamoyl)-2-methylpropyl]-3-hydroxy-2-methyloct-7-ynimidic acid

C39H65BrN4O9 (812.393466)


   

(3s,6s,9s,15s,18s,24s)-5,8,17,20,23-pentahydroxy-18-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-15-isopropyl-6-(2-methylpropyl)-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0⁹,¹³]heptacosa-4,7,16,19,22-pentaene-2,14-dione

(3s,6s,9s,15s,18s,24s)-5,8,17,20,23-pentahydroxy-18-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-15-isopropyl-6-(2-methylpropyl)-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0⁹,¹³]heptacosa-4,7,16,19,22-pentaene-2,14-dione

C43H56N8O8 (812.4220896)


   

2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-7-(2-methylpropyl)-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-7-(2-methylpropyl)-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

C44H56N6O9 (812.4108566000001)


   

(1r,10r)-13-{2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbonyl}-6,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol

(1r,10r)-13-{2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbonyl}-6,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol

C50H52O10 (812.3560292000001)


   

15,26-dimethyl 13,24-diethyl-11,12,23,32-tetrahydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetraazaundecacyclo[22.13.1.1⁶,⁹.0²,²².0³,²⁰.0⁵,¹⁸.0⁶,¹⁶.0²⁷,³⁵.0²⁹,³⁴.0³⁵,³⁸.0¹³,³⁹]nonatriaconta-3(20),4,15,18,26,29(34),30,32-octaene-15,26-dicarboxylate

15,26-dimethyl 13,24-diethyl-11,12,23,32-tetrahydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetraazaundecacyclo[22.13.1.1⁶,⁹.0²,²².0³,²⁰.0⁵,¹⁸.0⁶,¹⁶.0²⁷,³⁵.0²⁹,³⁴.0³⁵,³⁸.0¹³,³⁹]nonatriaconta-3(20),4,15,18,26,29(34),30,32-octaene-15,26-dicarboxylate

C44H52N4O11 (812.3632402000001)


   

11-{[6-(acetyloxy)-2,8,16-trihydroxy-5,5,9-trimethyl-12,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]methyl}-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl acetate

11-{[6-(acetyloxy)-2,8,16-trihydroxy-5,5,9-trimethyl-12,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]methyl}-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl acetate

C44H60O14 (812.398286)


   

(1r,2r,4r,6s,8s,9r,10s,11r,13s,16r)-11-{[(1r,2r,4r,6s,8s,9r,10s,13s,14r,16r)-6-(acetyloxy)-2,8,16-trihydroxy-5,5,9-trimethyl-12,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]methyl}-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl acetate

(1r,2r,4r,6s,8s,9r,10s,11r,13s,16r)-11-{[(1r,2r,4r,6s,8s,9r,10s,13s,14r,16r)-6-(acetyloxy)-2,8,16-trihydroxy-5,5,9-trimethyl-12,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]methyl}-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-yl acetate

C44H60O14 (812.398286)


   

[6-({1-acetyl-7-hydroxy-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl}oxy)-3-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]methyl acetate

[6-({1-acetyl-7-hydroxy-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl}oxy)-3-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]methyl acetate

C40H60O17 (812.3830310000001)


   

(3s,6s,9s,15s,18s,24s)-6-[(2r)-butan-2-yl]-5,8,17,20,23-pentahydroxy-18-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-15-isopropyl-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0⁹,¹³]heptacosa-4,7,16,19,22-pentaene-2,14-dione

(3s,6s,9s,15s,18s,24s)-6-[(2r)-butan-2-yl]-5,8,17,20,23-pentahydroxy-18-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-15-isopropyl-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0⁹,¹³]heptacosa-4,7,16,19,22-pentaene-2,14-dione

C43H56N8O8 (812.4220896)


   

4-(7-{[5-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-3-oxo-dodecahydrocyclopenta[a]phenanthren-1-yl)-5h-furan-2-one

4-(7-{[5-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-3-oxo-dodecahydrocyclopenta[a]phenanthren-1-yl)-5h-furan-2-one

C40H60O17 (812.3830310000001)


   

(11r,16s)-13-({2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-yl}methyl)-5,14-dihydroxy-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,12,14-hexaen-9-one

(11r,16s)-13-({2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-yl}methyl)-5,14-dihydroxy-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,12,14-hexaen-9-one

C50H52O10 (812.3560292000001)


   

6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one

6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one

C51H56O9 (812.3924126000001)


   

(2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one

(2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one

C51H56O9 (812.3924126000001)


   

5,8,17,20,23-pentahydroxy-18-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-15-isopropyl-6-(2-methylpropyl)-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0⁹,¹³]heptacosa-4,7,16,19,22-pentaene-2,14-dione

5,8,17,20,23-pentahydroxy-18-[(4-hydroxyphenyl)methyl]-3-(1h-indol-3-ylmethyl)-15-isopropyl-6-(2-methylpropyl)-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0⁹,¹³]heptacosa-4,7,16,19,22-pentaene-2,14-dione

C43H56N8O8 (812.4220896)


   

10-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid

10-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid

C41H64O16 (812.4194143999999)


   

(2r,3s,4r,6s)-2-{[(6e,14e)-2-({[(2r,3r,4r,5r,6r)-3,4-dimethoxy-6-methyl-5-(propanoyloxy)oxan-2-yl]oxy}methyl)-12-hydroxy-3,8,10,12-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-9-yl]oxy}-4-methoxy-6-methyloxan-3-yl propanoate

(2r,3s,4r,6s)-2-{[(6e,14e)-2-({[(2r,3r,4r,5r,6r)-3,4-dimethoxy-6-methyl-5-(propanoyloxy)oxan-2-yl]oxy}methyl)-12-hydroxy-3,8,10,12-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-9-yl]oxy}-4-methoxy-6-methyloxan-3-yl propanoate

C41H64O16 (812.4194143999999)


   

[(2r,3r,4s,5r,6r)-6-{[(3as,3bs,7r,9r,9ar,9bs,11as)-1-acetyl-7-hydroxy-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl]oxy}-3-hydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3r,4s,5r,6r)-6-{[(3as,3bs,7r,9r,9ar,9bs,11as)-1-acetyl-7-hydroxy-9a,11a-dimethyl-3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl]oxy}-3-hydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl acetate

C40H60O17 (812.3830310000001)


   

13-{2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbonyl}-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol

13-{2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbonyl}-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol

C50H52O10 (812.3560292000001)


   

4-[(1r,3ar,3bs,5as,7s,9as,9br,11ar)-7-{[(2r,4s,5s,6r)-5-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-3-oxo-dodecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

4-[(1r,3ar,3bs,5as,7s,9as,9br,11ar)-7-{[(2r,4s,5s,6r)-5-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-3-oxo-dodecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C40H60O17 (812.3830310000001)


   

(1s,4r,7s,10s,13s,16s)-2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-7-(2-methylpropyl)-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

(1s,4r,7s,10s,13s,16s)-2,5,11-trihydroxy-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-7-(2-methylpropyl)-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

C44H56N6O9 (812.4108566000001)


   

(1r,10r)-13-{2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbonyl}-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol

(1r,10r)-13-{2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbonyl}-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol

C50H52O10 (812.3560292000001)


   

2-{[2-({[3,4-dimethoxy-6-methyl-5-(propanoyloxy)oxan-2-yl]oxy}methyl)-12-hydroxy-3,8,10,12-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-9-yl]oxy}-4-methoxy-6-methyloxan-3-yl propanoate

2-{[2-({[3,4-dimethoxy-6-methyl-5-(propanoyloxy)oxan-2-yl]oxy}methyl)-12-hydroxy-3,8,10,12-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-9-yl]oxy}-4-methoxy-6-methyloxan-3-yl propanoate

C41H64O16 (812.4194143999999)