Exact Mass: 772.3827472
Exact Mass Matches: 772.3827472
Found 120 metabolites which its exact mass value is equals to given mass value 772.3827472,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aginoside progenin
Aginoside progenin is found in onion-family vegetables. Aginoside progenin is a constituent of Allium ampeloprasum (great-head garlic)
PA(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
PA(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 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)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of one 6Z,9Z,12Z,15Z-octadecatetraenoyl at the C-1 position and one chain of Resolvin D5 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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/18:4(6Z,9Z,12Z,15Z))
PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/18:4(6Z,9Z,12Z,15Z)), in particular, consists of one chain of one Resolvin D5 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)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))
PA(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 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)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of one 6Z,9Z,12Z,15Z-octadecatetraenoyl at the C-1 position and one chain of Protectin DX 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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/18:4(6Z,9Z,12Z,15Z))
PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/18:4(6Z,9Z,12Z,15Z)), in particular, consists of one chain of one Protectin DX 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)/PGJ2)
PA(20:5(5Z,8Z,11Z,14Z,17Z)/PGJ2) 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)/PGJ2), in particular, consists of one chain of one 5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl at the C-1 position and one chain of Prostaglandin J2 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(PGJ2/20:5(5Z,8Z,11Z,14Z,17Z))
PA(PGJ2/20:5(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(PGJ2/20:5(5Z,8Z,11Z,14Z,17Z)), in particular, consists of one chain of one Prostaglandin J2 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).
isopimara-9(14),15-diene-7-keto-3-O-beta-D-glucosyl(1->6)-[alpha-L-rhamnosyl(1->2)]-beta-D-glucoside|leucasperoside C
25R Delta5-furostan-1beta,3beta,22alpha,26-tetraol 1-O-beta-D-galactopyranosyl, 26-O-beta-D-glucopyranoside
(23S,25R)-5alpha-spirostane-3beta,6alpha,23-triol 3,6-di-O-beta-D-glucopyranoside|23S,25R,5alpha-spirostane-3beta,6alpha,23beta-triol 3,6-di-O-glucopyranoside|cantalasaponin 1|cantalasaponin I|cantalasaponin-1
12-O-benzoyl-deacetylmetaplexigenin 3-O-alpha-L-diginopyranosyl-(1?4)-O-beta-D-cymaropyranoside|cynotophylloside J
(5beta,25S)-spirostan-3beta,15alpha,23alpha-triol-3-O-beta-glucopyranosyl-(1->2)-beta-galactopyranoside|timosaponin F
(23S,25R)-23-hydroxy-5alpha-spirostane-3beta,6alpha-diyl bis-beta-D-glucopyranoside
26-O-beta-D-glucopyranosyl-1beta,22-dihydroxy-furost-5-en-3alpha-yl O-beta-D-glucopyranoside|tupistroside E
(25S)-26-O-beta-D-glucopyranosyl-20(22)-enurost-1beta,3beta,5beta,26-tetraol-3-O-beta-D-glucopyranoside
3-O-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside crestagenin
(20R,25R)-20-hydroxy-5alpha-spirostane-3beta,6alpha-diyl bis-beta-D-glucopyranoside
2,22-dideoxy-5-hydroxyecdysone 25-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside
Bantron
C44H56N2O8S (772.3757176000001)
An alkaloid that has actions similar to NICOTINE on nicotinic cholinergic receptors but is less potent. It has been proposed for a variety of therapeutic uses including in respiratory disorders, peripheral vascular disorders, insomnia, and smoking cessation.
C41H56N8O7_1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-bis(1-methylethyl)-12-(1-phenylethyl)
3-(1H-indol-3-ylmethyl)-6,18-dimethyl-12-(1-phenylethyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
Aginoside progenin
3-O-(Glcb)-6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha,23S-triol
26-O-beta-d-glucopyranosyl-(22S, 25S)-furostan-22,25-epoxy-1beta,3alpha,26-triol-3-O-beta-d-glucopyranoside
26-O-beta-d-glucopyranosyl-(22S, 25S)-furostan-22,25-epoxy-1beta,3beta,26-triol-3-O-beta-d-glucopyranoside
Aspacoside D
(25S)-3-O-(2-O-methyl-beta-D-xylopyranosyl)-26-O-(beta-D-xylopyranosyl)-cholest-4,24(28)-diene-3beta,6beta,7alpha,8,15alpha,16beta,26-heptaol
Lobeline sulfate
C44H56N2O8S (772.3757176000001)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D019141 - Respiratory System Agents
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-hexadec-9-enoate
C36H70O13P2 (772.4291430000001)
PA(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/18:4(6Z,9Z,12Z,15Z))
PA(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))
PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/18:4(6Z,9Z,12Z,15Z))
2-[[3-Hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
1-Hexadecanoyl-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}-sn-glycero-3-phosphocholine
A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) in which the acyl groups at C-1 and C-2 are hexadecanoyl and 6-[(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]hexanoyl respectively.
Yuccalan
A spirostanyl glycoside that is (3beta,5alpha,6alpha,25S)-spirostan-3,6,27-triol attached to a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl residue via a glycosidic linkage. Isolated from Yucca smalliana, it exhibits antifungal activity.
alpha,N-(epsilon,N-DNP-aminocaproyl)-epsilon,N-DNP-L-lysine dicyclohexylammonium salt
4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethyl]-N,N,1-trimethyl-6-quinolin-1-iumamine
C49H46N3O6+ (772.3386436000001)
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[1-octanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
[1-decanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-dodecanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[3-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (9E,11E,13E,15E,17E)-henicosa-9,11,13,15,17-pentaenoate
[(2R)-1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(5E,8E,11E)-tetradeca-5,8,11-trienoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(E)-tetradec-9-enoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(7E,9E)-tetradeca-7,9-dienoyl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[(2S)-2-decanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
(2s)-n-[(2e,4e)-5-[(2s,3s,4e,6e,8s,11z,13e,16s,17e,19e,21r,22e)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dien-1-yl]-2-[(hydroxymethylidene)amino]-3-(sulfooxy)propanimidic acid
C41H60N2O10S (772.3968460000001)
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',19'-dioloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5r,7'r,8'r,9's,12's,13'r,16's,18's,19's)-5,7',9',13'-tetramethyl-16'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-7'-oloxy]oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2s,2's,3s,4's,5r,7's,8'r,9's,12's,13'r,16's,18's,19's)-5,7',9',13'-tetramethyl-16'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-3-oloxy]oxane-3,4,5-triol
(3r,6s,9r,12s,15r,18r)-3-(1h-indol-3-ylmethyl)-9,15-diisopropyl-6,18-dimethyl-12-(1-phenylethyl)-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaene-2,5,8,11,14,17,20-heptol
(3r,10s,13r,20s,27r,30s,32r,40s)-36-chloro-29,32,35-trihydroxy-27-isopropyl-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-28,33,35,37-tetraene-2,9,12,19,26-pentone
C35H49ClN10O8 (772.3423184000001)
(25r)-5α-spirostan-3β,6α,23α-triol-6-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN004742","Ingredient_name": "(25r)-5\u03b1-spirostan-3\u03b2,6\u03b1,23\u03b1-triol-6-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C39H64O15","Ingredient_Smile": "CC1CC(C2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20200","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3,3'-dioloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5r,6r)-2-{[(1s,2s,4s,6r,7s,8s,9s,12s,13r,14r,16r)-6,16-dihydroxy-7,9,13-trimethyl-6-[(3r)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-hydroxy-4-[(1-hydroxy-2-{[1-hydroxy-4-(4-hydroxyphenyl)butylidene]amino}-5-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]pentylidene)amino]-n-[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]-5-phenylpentanimidic acid
C42H56N6O8 (772.4159416000001)
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2s,2's,3r,4's,5r,7's,8'r,9's,12's,13'r,16's,18's,19's)-5,7',9',13'-tetramethyl-16'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-3-oloxy]oxane-3,4,5-triol
2-(hydroxymethyl)-6-(5,7',9',13'-tetramethyl-16'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-7'-oloxy)oxane-3,4,5-triol
2-(hydroxymethyl)-6-(5,7',9',13'-tetramethyl-16'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-3-oloxy)oxane-3,4,5-triol
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-9-yl acetate; d-galactose
(2r,3r,4s,5r,6r)-2-[(1's,2r,2's,4s,4's,5s,7's,8'r,9's,12's,13's,14'r,16'r,18'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',16'-dioloxy]-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
[(1s,2r,3r,4s,5r,8r,9s,13s,16r,17r,18s)-4-(benzoyloxy)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-[(3s)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
C43H52N2O11 (772.3570922000001)
2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',16'-dioloxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2s,2's,3s,4's,5r,7's,8'r,9's,12's,13'r,16's,17's,18'r)-5,7',9',13'-tetramethyl-16'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-3-oloxy]oxane-3,4,5-triol
[(1r,2r,3s,7s,8r,10r,11r,15s,16s,17s)-3,17-bis(acetyloxy)-15-(furan-3-yl)-10-{[(2r,3r)-2-hydroxy-3-methylpentanoyl]oxy}-2,7,11,16-tetramethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-7-yl]methyl (2r,3s)-2-hydroxy-3-methylpentanoate
2-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
3-(1h-indol-3-ylmethyl)-9,15-diisopropyl-6,18-dimethyl-12-(1-phenylethyl)-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaene-2,5,8,11,14,17,20-heptol
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',15'-dioloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,3r,6s,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-{[(2r,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-9-yl benzoate
(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1'r,2s,2's,3s,3'r,4'r,5s,7's,8'r,9's,12's,13's,16's,18'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3,3'-dioloxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2,5,11,24-tetrahydroxy-7-(hydroxymethyl)-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione
[(1r,2r,3s,7s,8r,10r,11r,15s,16s,17s)-3,17-bis(acetyloxy)-15-(furan-3-yl)-10-[(2-hydroxy-3-methylpentanoyl)oxy]-2,7,11,16-tetramethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-7-yl]methyl 2-hydroxy-3-methylpentanoate
(3s,4s)-3-hydroxy-4-{[(2r)-1-hydroxy-2-{[1-hydroxy-4-(4-hydroxyphenyl)butylidene]amino}-5-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]pentylidene]amino}-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]-5-phenylpentanimidic acid
C42H56N6O8 (772.4159416000001)
(2s,3r,4s,5s,6r)-2-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,15'r,16'r,18's,19'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',19'-dioloxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3s,5s,6r)-2-(hydroxymethyl)-6-[(3s,5r,7's,9's,13'r,16's,19's)-5,7',9',13'-tetramethyl-16'-{[(2r,3s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-3-oloxy]oxane-3,4,5-triol
(2s,4as,4br,7r,10ar)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
[3,17-bis(acetyloxy)-15-(furan-3-yl)-10-[(2-hydroxy-3-methylpentanoyl)oxy]-2,7,11,16-tetramethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-7-yl]methyl 2-hydroxy-3-methylpentanoate
(2r,3r,4s,5r,6r)-2-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,14r,16r)-6,16-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-{[6,16-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5r,6r)-2-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,14r,16r)-6,16-dihydroxy-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-7-(hydroxymethyl)-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione
(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1's,2r,2's,4's,5r,7's,8'r,9's,10'r,12's,13's,15's,16'r,18'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',15'-dioloxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
36-chloro-29,32,35-trihydroxy-27-isopropyl-10,11-dimethyl-1,7,8,11,17,18,24,25,28,39-decaazaheptacyclo[28.10.0.0³,⁸.0¹³,¹⁸.0²⁰,²⁵.0³²,⁴⁰.0³³,³⁸]tetraconta-28,33,35,37-tetraene-2,9,12,19,26-pentone
C35H49ClN10O8 (772.3423184000001)