Exact Mass: 780.4213
Exact Mass Matches: 780.4213
Found 383 metabolites which its exact mass value is equals to given mass value 780.4213,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Saikosaponin A
Saikosaponin A is a saikosaponin. Saikosaponin A is a natural product found in Bupleurum kunmingense, Clinopodium gracile, and other organisms with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Saikosaponin A is an active component of Bupleurum chinensis, up-regulates LXRα expression, with potent anti-inflammatory activity[1]. Saikosaponin A is an active component of Bupleurum chinensis, up-regulates LXRα expression, with potent anti-inflammatory activity[1]. Saikosaponin A is an active component of Bupleurum chinensis, up-regulates LXRα expression, with potent anti-inflammatory activity[1]. Saikosaponin D is a triterpene saponin isolated from Bupleurum, with anti-inflammatory, anti-bacterial, anti-tumor, and anti-allergic activities; Saikosaponin D inhibits selectin, STAT3 and NF-kB and activates estrogen receptor-β. Saikosaponin D is a triterpene saponin isolated from Bupleurum, with anti-inflammatory, anti-bacterial, anti-tumor, and anti-allergic activities; Saikosaponin D inhibits selectin, STAT3 and NF-kB and activates estrogen receptor-β.
Digoxin
Digoxin appears as clear to white crystals or white crystalline powder. Odorless. Used as a cardiotonic drug. (EPA, 1998) Digoxin is a cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small. It has a role as an epitope, an anti-arrhythmia drug, a cardiotonic drug and an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is a cardenolide glycoside and a steroid saponin. It is a conjugate acid of a digoxin(1-). Digoxin is one of the oldest cardiovascular medications used today. It is a common agent used to manage atrial fibrillation and the symptoms of heart failure. Digoxin is classified as a cardiac glycoside and was initially approved by the FDA in 1954. This drug originates from the foxglove plant, also known as the Digitalis plant, studied by William Withering, an English physician and botanist in the 1780s. Prior to this, a Welsh family, historically referred to as the Physicians of Myddvai, formulated drugs from this plant. They were one of the first to prescribe cardiac glycosides, according to ancient literature dating as early as the 1250s. Digoxin is a Cardiac Glycoside. Digoxin is a natural product found in Digitalis obscura, Digitalis parviflora, and other organisms with data available. Digoxin is a cardiac glycoside. Digoxin inhibits the sodium potassium adenosine triphosphatase (ATPase) pump, thereby increasing intracellular calcium and enhancing cardiac contractility. This agent also acts directly on the atrioventricular node to suppress conduction, thereby slowing conduction velocity. Apparently due to its effects on intracellular calcium concentrations, digoxin induces apoptosis of tumor cells via a pathway involving mitochondrial cytochrome c and caspases 8 and 3. (NCI04) Digoxin is a cardiac glycoside extracted from the foxglove plant, digitalis. It is widely used in the treatment of various heart conditions, namely atrial fibrillation, atrial flutter and congestive heart failure that cannot be controlled by other medication. Digoxin preparations are commonly marketed under the trade name Lanoxin. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666) Digoxin is a cardiotonic glycoside obtained mainly from Digitalis lanata; It consists of three sugars and the aglycone digoxigenin. Digoxin binds to a site on the extracellular aspect of the of the Na+/K+ ATPase pump in the membranes of heart cells (myocytes). This causes an increase in the level of sodium ions in the myocytes, which then leads to a rise in the level of calcium ions. The proposed mechanism is the following: inhibition of the Na+/K+ pump leads to increased Na+ levels, which in turn slows down the extrusion of Ca2+ via the Na+/Ca2+ exchange pump. Increased amounts of Ca2+ are then stored in the sarcoplasmic reticulum and released by each action potential, which is unchanged by digoxin. This is a different mechanism from that of catecholamines. Owing to its narrow therapeutic index (the margin between effectiveness and toxicity), side effects of digoxin are inevitable. Nausea, vomiting and GIT upset are common, especially in higher doses. Decreased conduction in the AV node can lead to AV blocks, increased intracellular Ca2+ causes a type of arrhythmia called bigeminy (coupled beats), eventually ventricular tachycardia or fibrillation. An often described but rarely seen side effect of digoxin is a disturbance of color vision (mos... Digoxin is a cardiac glycoside extracted from the foxglove plant, digitalis. It is widely used in the treatment of various heart conditions, namely atrial fibrillation, atrial flutter and congestive heart failure that cannot be controlled by other medication. Digoxin preparations are commonly marketed under the trade name Lanoxin. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666) -- Pubchem; Digoxin is a cardiotonic glycoside obtained mainly from Digitalis lanata; It consists of three sugars and the aglycone digoxigenin. Digoxin binds to a site on the extracellular aspect of the of the Na+/K+ ATPase pump in the membranes of heart cells (myocytes). This causes an increase in the level of sodium ions in the myocytes, which then leads to a rise in the level of calcium ions. The proposed mechanism is the following: inhibition of the Na+/K+ pump leads to increased Na+ levels, which in turn slows down the extrusion of Ca2+ via the Na+/Ca2+ exchange pump. Increased amounts of Ca2+ are then stored in the sarcoplasmic reticulum and released by each action potential, which is unchanged by digoxin. This is a different mechanism from that of catecholamines. -- Wikipedia; Owing to its narrow therapeutic index (the margin between effectiveness and toxicity), side effects of digoxin are inevitable. Nausea, vomiting and GIT upset are common, especially in higher doses. Decreased conduction in the AV node can lead to AV blocks, increased intracellular Ca2+ causes a type of arrhythmia called bigeminy (coupled beats), eventually ventricular tachycardia or fibrillation. An often described but rarely seen side effect of digoxin is a disturbance of color vision (mostly yellow and green color) called xanthopsia. Digoxin is a cardiac glycoside extracted from the foxglove plant, digitalis. It is widely used in the treatment of various heart conditions, namely atrial fibrillation, atrial flutter and congestive heart failure that cannot be controlled by other medication. Digoxin preparations are commonly marketed under the trade name Lanoxin. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666) -- Pubchem; A cardiotonic glycoside obtained mainly from Digitalis lanata; Digoxin binds to a site on the extracellular aspect of the of the Na+/K+ ATPase pump in the membranes of heart cells (myocytes). This causes an increase in the level of sodium ions in the myocytes, which then leads to a rise in the level of calcium ions. The proposed mechanism is the following: inhibition of the Na+/K+ pump leads to increased Na+ levels, which in turn slows down the extrusion of Ca2+ via the Na+/Ca2+ exchange pump. Increased amounts of Ca2+ are then stored in the sarcoplasmic reticulum and released by each action potential, which is unchanged by digoxin. This is a different mechanism from that of catecholamines. -- Wikipedia; Owing to its narrow therapeutic index (the margin between effectiveness and toxicity), side effects of digoxin are inevitable. Nausea, vomiting and GIT upset are common, especially in higher doses. Decreased conduction in the AV node can lead to AV blocks, increased intracellular Ca2+ causes a type of arrhythmia called bigeminy (coupled beats), eventually ventricular tachycardia or fibrillation. An often described but rarely seen side effect of digoxin is a disturbance of color vision (mostly yellow and green color) called xanthopsia. [HMDB] A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small. 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 C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C823 - Saponin C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C1907 - Drug, Natural Product D004791 - Enzyme Inhibitors Digoxin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=20830-75-5 (retrieved 2024-10-11) (CAS RN: 20830-75-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Gitoxim
Gitoxin is a cardenolide glycoside that is gitoxigenin in which the 3beta-hydroxy group has been glycosylated with tridigitoxose. It is functionally related to a gitoxigenin. Gitoxin is a natural product found in Digitalis obscura, Digitalis parviflora, and other organisms with data available. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D004071 - Digitalis Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
Sho-saiko-to
2-[3,5-Dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Clinopodium vulgare, Bupleurum angustissimum, and other organisms with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Saikosaponin A is an active component of Bupleurum chinensis, up-regulates LXRα expression, with potent anti-inflammatory activity[1]. Saikosaponin A is an active component of Bupleurum chinensis, up-regulates LXRα expression, with potent anti-inflammatory activity[1]. Saikosaponin A is an active component of Bupleurum chinensis, up-regulates LXRα expression, with potent anti-inflammatory activity[1]. Saikosaponin D is a triterpene saponin isolated from Bupleurum, with anti-inflammatory, anti-bacterial, anti-tumor, and anti-allergic activities; Saikosaponin D inhibits selectin, STAT3 and NF-kB and activates estrogen receptor-β. Saikosaponin D is a triterpene saponin isolated from Bupleurum, with anti-inflammatory, anti-bacterial, anti-tumor, and anti-allergic activities; Saikosaponin D inhibits selectin, STAT3 and NF-kB and activates estrogen receptor-β.
Saikosaponin
2-[3,5-Dihydroxy-2-[[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is a triterpenoid saponin. CID 14798494 is a natural product found in Bupleurum smithii var. parvifolium with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Saikosaponin B1 is a bioactive constituent of Radix Bupleuri with anticancer activity. Saikosaponin B1 significantly inhibits tumor growth in Medulloblastoma (MB) model by inhibiting the Hedgehog pathway through targeting SMO[1]. Saikosaponin B1 is a bioactive constituent of Radix Bupleuri with anticancer activity. Saikosaponin B1 significantly inhibits tumor growth in Medulloblastoma (MB) model by inhibiting the Hedgehog pathway through targeting SMO[1].
Azukisaponin I
Azukisaponin I is found in pulses. Azukisaponin I is isolated from seeds of Vigna angularis (azuki bean). Isolated from seeds of Vigna angularis (azuki bean). Azukisaponin I is found in pulses.
Saponin G
Saponin G is found in fruits. Saponin G is a constituent of Hovenia dulcis (raisin tree).
Goyaglycoside e
Goyaglycoside e is found in fruits. Goyaglycoside e is a constituent of Momordica charantia (bitter melon). Constituent of Momordica charantia (bitter melon). Goyaglycoside e is found in fruits.
Calenduloside A
Calenduloside A is isolated from roots of Calendula officinalis (pot marigold). Isolated from roots of Calendula officinalis (pot marigold).
Goyaglycoside f
Goyaglycoside f is found in fruits. Goyaglycoside f is a constituent of Momordica charantia (bitter melon). Constituent of Momordica charantia (bitter melon). Goyaglycoside f is found in fruits.
Acutoside A
Acutoside A is found in fruits. Acutoside A is a constituent of Luffa acutangula (Chinese okra) Constituent of Luffa acutangula (Chinese okra). Acutoside A is found in fruits.
Cynarasaponin F
Constituent of Cynara cardunculus (cardoon). Cynarasaponin F is found in herbs and spices and green vegetables. Cynarasaponin F is found in green vegetables. Cynarasaponin F is a constituent of Cynara cardunculus (cardoon).
25-O-Desacetyl rifabutin
25-O-Desacetyl rifabutin is a metabolite of rifabutin. Rifabutin (Rfb) is a bactericidal antibiotic drug primarily used in the treatment of tuberculosis. The drug is a semi-synthetic derivative of rifamycin S. Its effect is based on blocking the DNA-dependent RNA-polymerase of the bacteria. It is effective against Gram-positive and some Gram-negative bacteria, but also against the highly resistant Mycobacteria, e.g. Mycobacterium tuberculosis, M. leprae and M. avium intracellulare. (Wikipedia)
Saikosaponin A
[Bala8]-Neurokinin A(4-10)
25-Desacetylrifampicin
Cogoxin
A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666) D020011 - Protective Agents > D002316 - Cardiotonic Agents > D004071 - Digitalis Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D004791 - Enzyme Inhibitors
saikosaponin B1
PA(19:2(10Z,13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
PA(19:2(10Z,13Z)/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(19:2(10Z,13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 10Z,13Z-nonadecadienoyl 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)/19:2(10Z,13Z))
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/19:2(10Z,13Z)) 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)/19:2(10Z,13Z)), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 10Z,13Z-nonadecadienoyl 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).
PG(i-12:0/6 keto-PGF1alpha)
PG(i-12:0/6 keto-PGF1alpha) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(i-12:0/6 keto-PGF1alpha), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of 6-Keto-prostaglandin F1alpha 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(6 keto-PGF1alpha/i-12:0)
PG(6 keto-PGF1alpha/i-12:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(6 keto-PGF1alpha/i-12:0), in particular, consists of one chain of one 6-Keto-prostaglandin F1alpha 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(i-12:0/TXB2)
PG(i-12:0/TXB2) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(i-12:0/TXB2), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of Thromboxane B2 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
PG(TXB2/i-12:0)
PG(TXB2/i-12:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(TXB2/i-12:0), in particular, consists of one chain of one Thromboxane B2 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).
Heteroside
Heteroside is a member of the class of compounds known as triterpene saponins. Triterpene saponins are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Heteroside is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Heteroside can be found in flaxseed, which makes heteroside a potential biomarker for the consumption of this food product.
PerisesaccharideB
Perisesaccharide B is a natural product found in Periploca sepium with data available.
3-O-Allopyranosyl-(14)-oleandropyranosyl-11-O-isobutyryl-12-O-acetyltenacigenin B
saikosaponins
Saikosaponin b2 is a saikosaponin. Saikosaponin B2 is a natural product found in Bupleurum falcatum with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Saikosaponin B2 is an active component from Bupleurum chinensis root, acts as an entry inhibitor against HCV infection[1]. Anti-cancer activity[2]. Saikosaponin B2 is an active component from Bupleurum chinensis root, acts as an entry inhibitor against HCV infection[1]. Anti-cancer activity[2].
Rediocide E
A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon reidioides and has been shown to exhibit insecticidal activity.
hederagenin 3-O-(O-beta-D-xylopyranosyl-(1-2)-beta-D-glucopyranoside)|hederagenin 3-O-
28-O-(beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl)-3beta,19alpha-dihydroxyurs-23-oxo-12-en-28-oic acid|ilexpublesnin B
3-O-(2-beta-D-quinovopyranosyl-beta-D-xylopyranosyl)holothurinogenol
lup-20(29)-en-28-oic-3-O-beta-D-glucopyranosyl (2->1)-O-beta-D-glucopyranoside
(3beta)-3-(beta-D-glucopyranosyloxy)-12-oxopyroquinovic acid beta-D-glucopyranosyl ester|(3beta)-3-(beta-D-glucopyranosyloxy)-27-norurs-13-en-28-oic acid beta-D-glucopyranosyl ester|uncariaside A
hederagenin 28-O-(O-L-rhamnopyranosyl-(1-6)-D-glucopyranoside)|hederagenin 28-O-
3beta,(24R),(28R)-trihydroxystigmasta-7,9(11)-dien-21,24-lactone-3-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|vernocuminoside I
A-nor-B-homo-olean-10,12-diene-3beta,11alpha,28-triol 28-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside|justicioside E
asteryunnanoside F|hemslonin A|oleanolic acid 28-O-(beta-gentiobiosyl) ester|oleanolic acid 28-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
3beta-[(O-beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]-11alpha,12alpha-epoxy-13beta,23-dihydroxyoleanan-28-oic acid gamma-lactone
3beta-O-beta-D-glucopyranosyl-(1->2)-beta-D-O-galactopyranosylurs-12-en-28-oic
16-hydroxy-3beta-O-[beta-D-xylopyranosyl-(1->3)-beta-D-glucopyranosyloxyuronic acid]-5alpha,14beta-poriferast-16-ene-15,23-dione methyl ester|pandaroside H methyl ester
3beta,28-di(beta-D-glucopyranosyloxy)-24-hydroxy-stigmasta-7(8),9(11)-dien-21,24-lactone|vernonioside S2
3-O-(beta-D-xylanopyranosyl)-28-O-(beta-D-glucopyranosyl)-3beta,19alpha-dihydroxyurs-23-oxo-12-en-28-oic acid|ilexpublesnin A
Digoxin
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 C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C823 - Saponin C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2 C1907 - Drug, Natural Product D004791 - Enzyme Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 1.276 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.282 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.275
ruscogenin 1-O-[O-alpha-L-rhamnopyranosyl-(1->2)-6-O-acetyl-beta-D-galactopyranoside]
3-O-(beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl)oleanolic acid|3-O-3)-beta-D-glucopyranosyl>oleanolic acid|Anchusoside-7a|oleanolic acid 3-O-beta-D-glucopyranosyl-(1?3)-betal-D-glucopyranoside|oleanolic acid-3-O-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranoside|randianin|randianine
3-O-alpha-L-arabinopyranosyl-3beta,19alpha,23-trihydroxyursa-12,20(30)-dien-28-oic acid 28-O-beta-D-glucopyranosyl ester|randiasaponin I
hederagenin 3-O-D-glucopyranoside, 28-O-L-rhamnopyranoside
3-O-alpha-L-arabinopyranosylgypsogenic acid 28-O-beta-D-glucopyranoside|chionaeoside C
3-O-[alpha-L-arabinopyranosyl(1?2)]-beta-D-glucuronopyranosyl azukisapogenol
3-O-(beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oleanolic acid|oleanolic acid 3-O-beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranoside
3-O-(beta-D-glucopyranosyl)ursolic acid 28-O-(beta-D-glucopyranosyl) ester|3-O-beta-D-glucopyranosylursolic acid 28-O-beta-D-glucopyranoside ester
saikosaponin B2
Annotation level-1 Saikosaponin B2 is an active component from Bupleurum chinensis root, acts as an entry inhibitor against HCV infection[1]. Anti-cancer activity[2]. Saikosaponin B2 is an active component from Bupleurum chinensis root, acts as an entry inhibitor against HCV infection[1]. Anti-cancer activity[2].
saikosaponin D
Annotation level-1 Saikosaponin D is a triterpene saponin isolated from Bupleurum, with anti-inflammatory, anti-bacterial, anti-tumor, and anti-allergic activities; Saikosaponin D inhibits selectin, STAT3 and NF-kB and activates estrogen receptor-β. Saikosaponin D is a triterpene saponin isolated from Bupleurum, with anti-inflammatory, anti-bacterial, anti-tumor, and anti-allergic activities; Saikosaponin D inhibits selectin, STAT3 and NF-kB and activates estrogen receptor-β.
cynanogenin A 3-O-alpha-L-cymaropyranosyl-(1->4)-beta-D-digitoxopyranosyl-(1->4)-beta-D-cymaropyranoside|cynanoside C
quinovic acid 3beta-O-alpha-L-rhamnopyranosyl-(28-1)-beta-D-glucopyranosyl ester
3-O-beta-D-glucopyranosyloxyuronic acid-(1->2)-beta-D-xylopyranosyl cyclamiretin A
16-hydroxy-3beta-O-[alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyloxyuronic acid]-5alpha,14beta-poriferast-16-ene-15,23-dione|pandaroside I
Saikosaponin G
Saikosaponin A
Annotation level-1 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Saikosaponin A is an active component of Bupleurum chinensis, up-regulates LXRα expression, with potent anti-inflammatory activity[1]. Saikosaponin A is an active component of Bupleurum chinensis, up-regulates LXRα expression, with potent anti-inflammatory activity[1]. Saikosaponin A is an active component of Bupleurum chinensis, up-regulates LXRα expression, with potent anti-inflammatory activity[1].
2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate
2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848686]
2,3,4,5,6-pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate [IIN-based: Match]
Acutoside A
A pentacyclic triterpenoid that is oleanolic acid substituted by a 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl moiety at position O-3. A natural product found in Luffa acutangula and Viola hondoensis.
Calenduloside A
Goyaglycoside f
Goyaglycoside e
Azukisaponin I
cynarasaponin F
[bAla8]-Neurokinin A(4-10)
[bAla8]-Neurokinin A(4-10) is a neurokinin 2 (NK2) receptor agonist.
2-ethylhexyl 12-ethyl-5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate
(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-1,3,4,7,9,11,17,33,37-nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
(9Z,19Z,21Z)-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins
PA(19:2(10Z,13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/19:2(10Z,13Z))
N-(2-aminophenyl)-4-[[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[[(4-methoxyanilino)-oxomethyl]amino]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl-methylamino]methyl]benzamide
(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-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]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxane-3,4-diol
(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[hydroxy-[(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14-trienoxy]phosphoryl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(3R)-2-[(2R,3R,6R)-3,5-dihydroxy-2-[[(1S,4S,5R,8R,9R,10S,13S,14R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
2,3,4,5,6-Pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate
3-[(3S,5R,8R,9S,10S,12R,13S,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-12,14-dihydroxy-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
[6-[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[(2R,3R,6R)-6-[2-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2R,3R,6R)-6-[3-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2R,3R,6R)-6-[3-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2R,3R,6R)-6-[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate
(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-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
(2s,3r,4s,5r)-4,5-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (1r,2r,4as,6as,6br,8ar,9r,10s,12ar,12br,14bs)-9-formyl-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2r)-2-[(1r,3ar,5as,7s,9as,11ar)-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-4-[(2s,3r)-2-isopropyl-3-methyloxiran-2-yl]butanoate
(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2s,3s,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-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
(2s,3r,4s,5r,6r)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17s,18r)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 10-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-carboxylate
(2s)-2-{[(2r)-3,5-dihydroxy-2-{[(1s,4s,5r,8r,9r,13s,14r,17s,18r)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1r,2r,4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,4ar,6as,6br,8ar,9r,10s,12ar,12br,14bs)-1-hydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-10-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-3h-picene-4a-carboxylate
(3r,6r)-3-[(1r,3ar,5ar,7s,9as,11ar)-9a,11a-dimethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-isopropyl-6-[(1r)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]oxan-2-one
(2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-(hydroxymethyl)-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-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
5-hydroxy-2-[(6-{[6-({4-hydroxy-6-[(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy]-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-6-methyloxan-3-yl acetate
n-[(2e,4e,10e,12e,14e,16e)-8,9-dihydroxy-18-(2-hydroxy-1-methyl-4-oxo-5,6-dihydropyridin-3-yl)-6-methoxy-5,7,17-trimethyl-18-oxooctadeca-2,4,10,12,14,16-hexaen-1-yl]-2-[(2s,4s,6s)-2,4-dihydroxy-5,5-dimethyl-6-[(1e,3z)-penta-1,3-dien-1-yl]oxan-2-yl]butanimidic acid
(3s,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,6a,6b,11,11,14b-hexamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
2-[(3s,6s,9s,15s,18s,21s,24s)-21-benzyl-18-[(2s)-butan-2-yl]-5,8,17,20,23-pentahydroxy-6-isopropyl-15-(2-methylpropyl)-2,14-dioxo-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0⁹,¹³]heptacosa-4,7,16,19,22-pentaen-3-yl]ethanimidic acid
7-hydroxy-3a,6,6,9b,11a-pentamethyl-1-(6-methyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl)-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
16-{[(2r,3r,4r,5s,6r)-6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxyhexadecanoic acid
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4as,6as,6br,8ar,10s,12ar,12bs,14bs)-10-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-carboxylate
(1r,4s,5r,8s,10s,13r,14s,16r,19s,20s)-10-{[(2r,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16,19-dihydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-17-en-22-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl (4as,6as,6br,8ar,9r,10s,12ar,12br,14bs)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
2,6a,6b,9,9,12a-hexamethyl-4a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2-carboxylic acid
16-hydroxy-n-[2-(5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1h-indol-3-yl)ethyl]octadec-9-enimidic acid
10-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-16,19-dihydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-17-en-22-one
(3r,5r)-5-{[(3r,5r)-5-{[(3r,5r)-5-(acetyloxy)-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}decanoyl]oxy}-3-hydroxydecanoyl]oxy}-3-hydroxydecanoic acid
5-hydroxy-2-[(6-{[4-hydroxy-6-({4-methoxy-6-[(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy]-2-methyloxan-3-yl}oxy)-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-6-methyloxan-3-yl acetate
3-o-β-d-galactopyranosyl-(1→4)-β-d-gala-ctopyranosyloleanolicacid
{"Ingredient_id": "HBIN009150","Ingredient_name": "3-o-\u03b2-d-galactopyranosyl-(1\u21924)-\u03b2-d-gala-ctopyranosyloleanolicacid","Alias": "NA","Ingredient_formula": "C42H68O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8053","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aquilegioside b
{"Ingredient_id": "HBIN016548","Ingredient_name": "aquilegioside b","Alias": "NA","Ingredient_formula": "C41H64O14","Ingredient_Smile": "CC1C=CC(OC1=O)C(C)C2C(CC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)CO)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)O","Ingredient_weight": "780.9 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1543","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100978846","DrugBank_id": "NA"}
azukisaponinI
{"Ingredient_id": "HBIN017463","Ingredient_name": "azukisaponinI","Alias": "kaikasaponinII; azukisaponin i","Ingredient_formula": "C42H68O13","Ingredient_Smile": "CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C","Ingredient_weight": "781 g/mol","OB_score": "13.54440714","CAS_id": "NA","SymMap_id": "SMIT07628","TCMID_id": "2065","TCMSP_id": "MOL005941","TCM_ID_id": "21721","PubChem_id": "102500449","DrugBank_id": "NA"}
