Exact Mass: 764.4346694

Exact Mass Matches: 764.4346694

Found 96 metabolites which its exact mass value is equals to given mass value 764.4346694, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Digitoxin

3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

C41H64O13 (764.4346694)


Digitoxin appears as odorless white or pale buff microcrystalline powder. Used as a cardiotonic drug. (EPA, 1998) Digitoxin is a cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain. It has a role as an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is functionally related to a digitoxigenin. It is a conjugate acid of a digitoxin(1-). A cardiac glycoside sometimes used in place of digoxin. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665) Digitoxin is a natural product found in Digitalis obscura, Digitalis parviflora, and other organisms with data available. Digitoxin is a lipid soluble cardiac glycoside that inhibits the plasma membrane sodium potassium ATPase, leading to increased intracellular sodium and calcium levels and decreased intracellular potassium levels. In studies increased intracellular calcium precedes cell death and decreased intracellular potassium increase caspase activation and DNA fragmentation, causing apoptosis and inhibition of cancer cell growth. (NCI) Digitoxin is only found in individuals that have used or taken this drug. It is a cardiac glycoside sometimes used in place of digoxin. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665)Digitoxin inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Digitoxin also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential. A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665) See also: Acetyldigitoxin (is active moiety of). Digitoxin, also known as crystodigin or digitoxoside, belongs to cardenolide glycosides and derivatives class of compounds. Those are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. Thus, digitoxin is considered to be a sterol lipid molecule. Digitoxin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Digitoxin can be synthesized from digitoxigenin. Digitoxin can also be synthesized into 3-O-acetyldigitoxin. Digitoxin can be found in common bean, which makes digitoxin a potential biomarker for the consumption of this food product. Digitoxin can be found primarily in blood and urine. Digitoxin is a non-carcinogenic (not listed by IARC) potentially toxic compound. Digitoxin is a drug which is used for the treatment and management of congestive cardiac insufficiency, arrhythmias and heart failure. Digitoxin is a cardiac glycoside. It is a phytosteroid and is similar in structure and effects to digoxin (though the effects are longer-lasting). Unlike digoxin (which is eliminated from the body via the kidneys), it is eliminated via the liver, so could be used in patients with poor or erratic kidney function. However, it is now rarely used in current Western medical practice. While several controlled trials have shown digoxin to be effective in a proportion of patients treated for heart failure, the evidence base for digitoxin is not as strong, although it is presumed to be similarly effective . Digitoxin exhibits similar toxic effects to the more-commonly used digoxin, namely: anorexia, nausea, vomiting, diarrhoea, confusion, visual disturbances, and cardiac arrhythmias (DrugBank). Digitoxin inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Digitoxin also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential (T3DB). Digitoxin is a cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain. It has a role as an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It derives from a digitoxigenin. It is a conjugate acid of a digitoxin(1-). Digitoxin appears as odorless white or pale buff microcrystalline powder. It is a cardiac glycoside sometimes used in place of digoxin. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. Digitoxin inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Digitoxin also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential. C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AA - Digitalis glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D004071 - Digitalis Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor Digitoxin is a potent Na+/K+-ATPase inhibitor with an EC50 value of 0.78 μM. Digitoxin is a potent Na+/K+-ATPase inhibitor with an EC50 value of 0.78 μM.

   

Liriopeside B

[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[(1S,2S,4S,5R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate

C41H64O13 (764.4346694)


Ophiopogonin A is a steroid saponin. Ophiopogonin A is a natural product found in Liriope spicata and Liriope muscari with data available.

   

Momordin I

6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

C41H64O13 (764.4346694)


Momordin Ic is found in green vegetables. Momordin Ic is a constituent of Momordica cochinchinensis (Chinese cucumber). Constituent of Momordica cochinchinensis (Chinese cucumber). Momordin I is found in green vegetables.

   

28-Glucosyl-3b,23-dihydroxy-12,19(29)-ursadien-28-oate 3-arabinoside

3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1-methylidene-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

C41H64O13 (764.4346694)


28-Glucosyl-3b,23-dihydroxy-12,19(29)-ursadien-28-oate 3-arabinoside is found in herbs and spices. 28-Glucosyl-3b,23-dihydroxy-12,19(29)-ursadien-28-oate 3-arabinoside is a constituent of Sanguisorba officinalis (burnet bloodwort). Constituent of Sanguisorba officinalis (burnet bloodwort). 28-Glucosyl-3b,23-dihydroxy-12,19(29)-ursadien-28-oate 3-arabinoside is found in tea and herbs and spices.

   

Digimed

4-(5-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-2,5-dihydrofuran-2-one

C41H64O13 (764.4346694)


   

PA(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

[(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 6Z,9Z,12Z-octadecatrienoyl at the C-1 position and one chain of Lipoxin A5 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z))

[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 6Z,9Z,12Z-octadecatrienoyl 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(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 9Z,12Z,15Z-octadecatrienoyl at the C-1 position and one chain of Lipoxin A5 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z))

[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z)), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 9Z,12Z,15Z-octadecatrienoyl 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(18:4(6Z,9Z,12Z,15Z)/PGE2)

[(2R)-2-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(18:4(6Z,9Z,12Z,15Z)/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(18:4(6Z,9Z,12Z,15Z)/PGE2), in particular, consists of one chain of one 6Z,9Z,12Z,15Z-octadecatetraenoyl 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(PGE2/18:4(6Z,9Z,12Z,15Z))

[(2R)-3-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(PGE2/18:4(6Z,9Z,12Z,15Z)) 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(PGE2/18:4(6Z,9Z,12Z,15Z)), in particular, consists of one chain of one Prostaglandin E2 at the C-1 position and one chain of 6Z,9Z,12Z,15Z-octadecatetraenoyl 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(18:4(6Z,9Z,12Z,15Z)/PGD2)

[(2R)-2-{[(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoyl]oxy}-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(18:4(6Z,9Z,12Z,15Z)/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(18:4(6Z,9Z,12Z,15Z)/PGD2), in particular, consists of one chain of one 6Z,9Z,12Z,15Z-octadecatetraenoyl 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(PGD2/18:4(6Z,9Z,12Z,15Z))

[(2R)-3-{[(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoyl]oxy}-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(PGD2/18:4(6Z,9Z,12Z,15Z)) 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(PGD2/18:4(6Z,9Z,12Z,15Z)), in particular, consists of one chain of one Prostaglandin D2 at the C-1 position and one chain of 6Z,9Z,12Z,15Z-octadecatetraenoyl 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(18:4(6Z,9Z,12Z,15Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-{[(5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(18:4(6Z,9Z,12Z,15Z)/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(18:4(6Z,9Z,12Z,15Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)), in particular, consists of one chain of one 6Z,9Z,12Z,15Z-octadecatetraenoyl 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)/18:4(6Z,9Z,12Z,15Z))

[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-{[(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/18:4(6Z,9Z,12Z,15Z)) 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)/18:4(6Z,9Z,12Z,15Z)), in particular, consists of one chain of one Lipoxin A4 at the C-1 position and one chain of 6Z,9Z,12Z,15Z-octadecatetraenoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(20:5(5Z,8Z,11Z,14Z,17Z)/5-iso PGF2VI)

[(2R)-2-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(20:5(5Z,8Z,11Z,14Z,17Z)/5-iso PGF2VI) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(5Z,8Z,11Z,14Z,17Z)/5-iso PGF2VI), in particular, consists of one chain of one 5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl at the C-1 position and one chain of 5-iso Prostaglandin F2alpha-VI 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(5-iso PGF2VI/20:5(5Z,8Z,11Z,14Z,17Z))

[(2R)-3-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propoxy]phosphonic acid

C41H65O11P (764.426427)


PA(5-iso PGF2VI/20:5(5Z,8Z,11Z,14Z,17Z)) 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(5-iso PGF2VI/20:5(5Z,8Z,11Z,14Z,17Z)), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI at the C-1 position and one chain of 5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl 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).

   

Momordin 1c

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid

C41H64O13 (764.4346694)


Momordin ic is a triterpenoid saponin. Momordin Ic is a natural product found in Anredera baselloides and Anredera cordifolia with data available. Momordin Ic is a principal saponin constituent of Kochia scoparia L. Schrad. with anti-cancer bioactivity. Momordin Ic is also a SENP1 Inhibitor. Momordin Ic induces apoptosis through oxidative stress-regulated mitochondrial dysfunction[1][2]. Momordin Ic is a principal saponin constituent of Kochia scoparia L. Schrad. with anti-cancer bioactivity. Momordin Ic is also a SENP1 Inhibitor. Momordin Ic induces apoptosis through oxidative stress-regulated mitochondrial dysfunction[1][2].

   

Momordin

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid

C41H64O13 (764.4346694)


Momordin ic is a triterpenoid saponin. Momordin Ic is a natural product found in Anredera baselloides and Anredera cordifolia with data available. Momordin Ic is a principal saponin constituent of Kochia scoparia L. Schrad. with anti-cancer bioactivity. Momordin Ic is also a SENP1 Inhibitor. Momordin Ic induces apoptosis through oxidative stress-regulated mitochondrial dysfunction[1][2]. Momordin Ic is a principal saponin constituent of Kochia scoparia L. Schrad. with anti-cancer bioactivity. Momordin Ic is also a SENP1 Inhibitor. Momordin Ic induces apoptosis through oxidative stress-regulated mitochondrial dysfunction[1][2].

   

Tarasaponin VI

(2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

C41H64O13 (764.4346694)


Narcissiflorine is a natural product found in Anemone multifida, Anemone narcissiflora, and other organisms with data available. Tarasaponin VI is a natural product isolated from Aralia elata. Tarasaponin VI shows potent inhibitory activity on ethanol absorption[1].

   
   
   
   
   
   

Acanthopanaxoside C

(-)-Acanthopanaxoside C

C41H64O13 (764.4346694)


   
   
   

Asprellic acid A

3,27-di-O-trans-p-coumaroyl-3beta,27-dihydroxy-olean-12-en-28-oic acid

C48H60O8 (764.428796)


A pentacyclic triterpenoid that is the diester obtained by the global condensation of the hydroxy groups of (3beta)-3,27-dihydroxyolean-12-en-28-oic acid with trans-4-coumaric acid. It is isolated from the dried leaves of Ilex asprella and exhibits significant toxicity against KB (epidermoid carcinoma of the nasopharynx) and RPMI-7951 (melanoma) cell lines.

   

3-O-2)-beta-D-quinovopyranosyl>-quinovic acid|3-O-[alpha-L-arabinopyranosyl-(1->2)-beta-D-quinovopyranosyl]quinovic acid

3-O-2)-beta-D-quinovopyranosyl>-quinovic acid|3-O-[alpha-L-arabinopyranosyl-(1->2)-beta-D-quinovopyranosyl]quinovic acid

C41H64O13 (764.4346694)


   
   
   
   

Pseudoginsenoside RP1

Pseudoginsenoside RP1

C41H64O13 (764.4346694)


   
   

2alpha,3beta-dihydroxyurs-12,20(30)-dien-28-oic acid 3-O-{[beta-D-xylopyranosyl-(1->3)]beta-D-glucopyranoside}

2alpha,3beta-dihydroxyurs-12,20(30)-dien-28-oic acid 3-O-{[beta-D-xylopyranosyl-(1->3)]beta-D-glucopyranoside}

C41H64O13 (764.4346694)


   
   
   

Naucleosid; 3-(D-Xylose-L-rhamnose)-qunovaic acid

Naucleosid; 3-(D-Xylose-L-rhamnose)-qunovaic acid

C41H64O13 (764.4346694)


   
   

3beta-O-[O-4-oxo-pentopyranosyl-(1->2)-beta-D-glucopyranosyl]-21alpha-hydroxyolean-12-ene-28-oic acid

3beta-O-[O-4-oxo-pentopyranosyl-(1->2)-beta-D-glucopyranosyl]-21alpha-hydroxyolean-12-ene-28-oic acid

C41H64O13 (764.4346694)


   
   

3beta,17beta-dihydroxy-28-norolean-12-en-16-one 3-O-[alpha-L-rhamnopyranoside-(1->2)-beta-D-glucuronopyranoside]|styraxoside B

3beta,17beta-dihydroxy-28-norolean-12-en-16-one 3-O-[alpha-L-rhamnopyranoside-(1->2)-beta-D-glucuronopyranoside]|styraxoside B

C41H64O13 (764.4346694)


   

Quinovic acid 3beta-O-1)beta-D-xylopyranoside>|Quinovic acid 3beta-O-[beta-D-quinovopyranosyl(3->1)beta-D-xylopyranoside]

Quinovic acid 3beta-O-1)beta-D-xylopyranoside>|Quinovic acid 3beta-O-[beta-D-quinovopyranosyl(3->1)beta-D-xylopyranoside]

C41H64O13 (764.4346694)


   
   
   

3-O-alpha-L-arabinopyranosyl-(1->2)-beta-D-glucuronopyranosyl-soyasapogenol E

3-O-alpha-L-arabinopyranosyl-(1->2)-beta-D-glucuronopyranosyl-soyasapogenol E

C41H64O13 (764.4346694)


   

8-deoxyamphoteronolide A

8-deoxyamphoteronolide A

C41H64O13 (764.4346694)


   

Digitoxin

Digitoxin

C41H64O13 (764.4346694)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.470 Digitoxin is a potent Na+/K+-ATPase inhibitor with an EC50 value of 0.78 μM. Digitoxin is a potent Na+/K+-ATPase inhibitor with an EC50 value of 0.78 μM.

   

C41H64O13_Crystodigin

NCGC00142623-05_C41H64O13_Crystodigin

C41H64O13 (764.4346694)


   
   
   
   
   

Momordin I

6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

C41H64O13 (764.4346694)


   

28-Glucosyl-3b,23-dihydroxy-12,19(29)-ursadien-28-oate 3-arabinoside

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1-methylidene-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

C41H64O13 (764.4346694)


   

Asprellic acid C

3-O-cis-p-coumaroyl-27-O-trans-p-coumaroyl-3beta,27-dihydroxy-olean-12-en-28-oic acid

C48H60O8 (764.428796)


A pentacyclic triterpenoid that is the diester obtained by the global condensation of the hydroxy groups of (3beta)-3,27-dihydroxyolean-12-en-28-oic acid with trans-4-coumaric acid and cis-4-coumaric acid respectively. It is isolated from the dried leaves of Ilex asprella and exhibits significant toxicity against KB (epidermoid carcinoma of the nasopharynx) and RPMI-7951 (melanoma) cell lines.

   

PA(18:4(6Z,9Z,12Z,15Z)/PGE2)

PA(18:4(6Z,9Z,12Z,15Z)/PGE2)

C41H65O11P (764.426427)


   

PA(PGE2/18:4(6Z,9Z,12Z,15Z))

PA(PGE2/18:4(6Z,9Z,12Z,15Z))

C41H65O11P (764.426427)


   

PA(18:4(6Z,9Z,12Z,15Z)/PGD2)

PA(18:4(6Z,9Z,12Z,15Z)/PGD2)

C41H65O11P (764.426427)


   

PA(PGD2/18:4(6Z,9Z,12Z,15Z))

PA(PGD2/18:4(6Z,9Z,12Z,15Z))

C41H65O11P (764.426427)


   

PA(20:5(5Z,8Z,11Z,14Z,17Z)/5-iso PGF2VI)

PA(20:5(5Z,8Z,11Z,14Z,17Z)/5-iso PGF2VI)

C41H65O11P (764.426427)


   

PA(5-iso PGF2VI/20:5(5Z,8Z,11Z,14Z,17Z))

PA(5-iso PGF2VI/20:5(5Z,8Z,11Z,14Z,17Z))

C41H65O11P (764.426427)


   

PA(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

PA(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C41H65O11P (764.426427)


   

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z))

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z))

C41H65O11P (764.426427)


   

PA(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

PA(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C41H65O11P (764.426427)


   

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z))

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z))

C41H65O11P (764.426427)


   

PA(18:4(6Z,9Z,12Z,15Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

PA(18:4(6Z,9Z,12Z,15Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

C41H65O11P (764.426427)


   

PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/18:4(6Z,9Z,12Z,15Z))

PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/18:4(6Z,9Z,12Z,15Z))

C41H65O11P (764.426427)


   

(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-17-(5-hydroxyfuran-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol

(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-17-(5-hydroxyfuran-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol

C41H64O13 (764.4346694)


   

3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(4R,5S,6R)-5-[(4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(4R,5S,6R)-5-[(4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

C41H64O13 (764.4346694)


   

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (5E,8E,11E,14E,17E,20E,23E)-hexacosa-5,8,11,14,17,20,23-heptaenoate

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (5E,8E,11E,14E,17E,20E,23E)-hexacosa-5,8,11,14,17,20,23-heptaenoate

C45H65O8P (764.441682)


   
   
   
   
   
   
   
   

(2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,11r,12s,12as,14ar,14br)-8a-carboxy-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-3-yl]oxy}-3,4-dihydroxy-5-{[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,11r,12s,12as,14ar,14br)-8a-carboxy-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-3-yl]oxy}-3,4-dihydroxy-5-{[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid

C41H64O13 (764.4346694)


   

10-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a,6a-dicarboxylic acid

10-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a,6a-dicarboxylic acid

C41H64O13 (764.4346694)


   

(1s,2r,6ar,6br,12ar)-10-{[(3r,4s,5r,6r)-3,5-dihydroxy-6-methyl-4-{[(3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a,6a-dicarboxylic acid

(1s,2r,6ar,6br,12ar)-10-{[(3r,4s,5r,6r)-3,5-dihydroxy-6-methyl-4-{[(3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a,6a-dicarboxylic acid

C41H64O13 (764.4346694)


   

(2s,3s,4s,5r,6r)-6-{[(1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-3a-carboxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-3a-carboxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid

C41H64O13 (764.4346694)


   

(1s,2r,4as,6ar,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a,6a-dicarboxylic acid

(1s,2r,4as,6ar,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1h-picene-4a,6a-dicarboxylic acid

C41H64O13 (764.4346694)


   

7-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6,6,9a,11a-tetramethyl-1-(6-methyl-5-oxohept-6-en-2-yl)-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3a-carboxylic acid

7-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6,6,9a,11a-tetramethyl-1-(6-methyl-5-oxohept-6-en-2-yl)-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3a-carboxylic acid

C41H64O13 (764.4346694)


   

6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

C41H64O13 (764.4346694)


   

(2e)-4-{[(2r,4r,5s,6r)-2-[(2r,3r,4r)-4-[(2r,3r,4e,6e,9s,10r,11s,12r,13s,14e,16z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5,6-dimethyloxan-4-yl]oxy}-4-oxobut-2-enoic acid

(2e)-4-{[(2r,4r,5s,6r)-2-[(2r,3r,4r)-4-[(2r,3r,4e,6e,9s,10r,11s,12r,13s,14e,16z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5,6-dimethyloxan-4-yl]oxy}-4-oxobut-2-enoic acid

C41H64O13 (764.4346694)


   

4a-methyl 2-(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl (2r,4ar,6as,6br,8ar,10s,12ar,12br,14bs)-2,6a,6b,9,9,12a-hexamethyl-10-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2,4a-dicarboxylate

4a-methyl 2-(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl (2r,4ar,6as,6br,8ar,10s,12ar,12br,14bs)-2,6a,6b,9,9,12a-hexamethyl-10-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2,4a-dicarboxylate

C41H64O13 (764.4346694)


   

6-[(8a-carboxy-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

6-[(8a-carboxy-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

C41H64O13 (764.4346694)


   

(3r,4ar,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-5-oxooxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(3r,4ar,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-5-oxooxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C41H64O13 (764.4346694)


   

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

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

C41H64O13 (764.4346694)


   

6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-yl)oxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-yl)oxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

C41H64O13 (764.4346694)


   

(2r,3s,4s,5r,6r)-2-{[(2s,3s,4r,5s,6s)-4,5-dihydroxy-6-methyl-2-[(1'r,2s,2'r,4'r,5s,7'r,8's,9'r,12'r,13's,14's,16's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy]oxan-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate

(2r,3s,4s,5r,6r)-2-{[(2s,3s,4r,5s,6s)-4,5-dihydroxy-6-methyl-2-[(1'r,2s,2'r,4'r,5s,7'r,8's,9'r,12'r,13's,14's,16's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy]oxan-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate

C41H64O13 (764.4346694)