Exact Mass: 1080.48792

Exact Mass Matches: 1080.48792

Found 74 metabolites which its exact mass value is equals to given mass value 1080.48792, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cistocardin

2-[(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-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


Cistocardin is found in onion-family vegetables. Cistocardin is a constituent of Allium chinense (rakkyo). Constituent of Allium chinense (rakkyo). Cistocardin is found in onion-family vegetables.

   

Isoeruboside B

2-[(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]-19-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


Constituent of fresh garlic bulbs (Allium sativum). Isoeruboside B is found in garlic, soft-necked garlic, and onion-family vegetables. Eruboside B is found in onion-family vegetables. Eruboside B is from Allium sativum (fresh garlic bulbs

   

Cys-phe-phe-D-trp-lys-thr-phe-D-cys

2-[(2-{[2-({6-amino-2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-sulphanylpropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(1H-indol-3-yl)propylidene)amino]-1-hydroxyhexylidene}amino)-1,3-dihydroxybutylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-3-sulphanylpropanoic acid

C54H68N10O10S2 (1080.4561068)


   

Neurokinin A(4-10), Tyr(5)-Trp(6,8,9)-Lys(10)-

3-amino-3-{[1-({1-[(1-{[1-({1-[(5-amino-1-carbamoylpentyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C57H68N12O10 (1080.5181108)


   

PIP(22:4(10Z,13Z,16Z,19Z)/6 keto-PGF1alpha)

{[(1S,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-6-{[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyloxy]methyl}-3,16,18,20,22,23,24-heptahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,8,13-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-21-yl]oxy}phosphonic acid

C51H86O20P2 (1080.5187415999999)


PIP(22:4(10Z,13Z,16Z,19Z)/6 keto-PGF1alpha) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(22:4(10Z,13Z,16Z,19Z)/6 keto-PGF1alpha), in particular, consists of one chain of 10Z,13Z,16Z,19Z-docosatetraenoyl at the C-1 position and one chain of 6-Keto-prostaglandin F1alpha at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(6 keto-PGF1alpha/22:4(10Z,13Z,16Z,19Z))

{[(1S,6R,16S,17S,19R,20S,21R,22R,23R,24S,25R)-6-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyloxy]-3,17,19,21,23,24,25-heptahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,9,14-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-22-yl]oxy}phosphonic acid

C51H86O20P2 (1080.5187415999999)


PIP(6 keto-PGF1alpha/22:4(10Z,13Z,16Z,19Z)) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(6 keto-PGF1alpha/22:4(10Z,13Z,16Z,19Z)), in particular, consists of one chain of 6-Keto-prostaglandin F1alpha at the C-1 position and one chain of 10Z,13Z,16Z,19Z-docosatetraenoyl at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(22:4(10Z,13Z,16Z,19Z)/TXB2)

{[(1S,6R,12Z,15S,16S,20R,21R,22R,23R,24S,25R)-6-{[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyloxy]methyl}-3,16,18,21,23,24,25-heptahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,8-dioxo-2,4,7,19-tetraoxa-3lambda5-phosphabicyclo[13.7.3]pentacos-12-en-22-yl]oxy}phosphonic acid

C51H86O20P2 (1080.5187415999999)


PIP(22:4(10Z,13Z,16Z,19Z)/TXB2) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(22:4(10Z,13Z,16Z,19Z)/TXB2), in particular, consists of one chain of 10Z,13Z,16Z,19Z-docosatetraenoyl at the C-1 position and one chain of Thromboxane B2 at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(TXB2/22:4(10Z,13Z,16Z,19Z))

{[(1S,6R,13Z,16S,17S,21R,22R,23R,24R,25S,26R)-6-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyloxy]-3,17,19,22,24,25,26-heptahydroxy-21-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,9-dioxo-2,4,8,20-tetraoxa-3lambda5-phosphabicyclo[14.7.3]hexacos-13-en-23-yl]oxy}phosphonic acid

C51H86O20P2 (1080.5187415999999)


PIP(TXB2/22:4(10Z,13Z,16Z,19Z)) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(TXB2/22:4(10Z,13Z,16Z,19Z)), in particular, consists of one chain of Thromboxane B2 at the C-1 position and one chain of 10Z,13Z,16Z,19Z-docosatetraenoyl at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(22:4(7Z,10Z,13Z,16Z)/6 keto-PGF1alpha)

{[(1S,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-6-{[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]methyl}-3,16,18,20,22,23,24-heptahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,8,13-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-21-yl]oxy}phosphonic acid

C51H86O20P2 (1080.5187415999999)


PIP(22:4(7Z,10Z,13Z,16Z)/6 keto-PGF1alpha) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(22:4(7Z,10Z,13Z,16Z)/6 keto-PGF1alpha), in particular, consists of one chain of 7Z,10Z,13Z,16Z-docosatetraenoyl at the C-1 position and one chain of 6-Keto-prostaglandin F1alpha at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(6 keto-PGF1alpha/22:4(7Z,10Z,13Z,16Z))

{[(1S,6R,16S,17S,19R,20S,21R,22R,23R,24S,25R)-6-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3,17,19,21,23,24,25-heptahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,9,14-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-22-yl]oxy}phosphonic acid

C51H86O20P2 (1080.5187415999999)


PIP(6 keto-PGF1alpha/22:4(7Z,10Z,13Z,16Z)) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(6 keto-PGF1alpha/22:4(7Z,10Z,13Z,16Z)), in particular, consists of one chain of 6-Keto-prostaglandin F1alpha at the C-1 position and one chain of 7Z,10Z,13Z,16Z-docosatetraenoyl at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(22:4(7Z,10Z,13Z,16Z)/TXB2)

{[(1S,6R,12Z,15S,16S,20R,21R,22R,23R,24S,25R)-6-{[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]methyl}-3,16,18,21,23,24,25-heptahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,8-dioxo-2,4,7,19-tetraoxa-3lambda5-phosphabicyclo[13.7.3]pentacos-12-en-22-yl]oxy}phosphonic acid

C51H86O20P2 (1080.5187415999999)


PIP(22:4(7Z,10Z,13Z,16Z)/TXB2) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(22:4(7Z,10Z,13Z,16Z)/TXB2), in particular, consists of one chain of 7Z,10Z,13Z,16Z-docosatetraenoyl at the C-1 position and one chain of Thromboxane B2 at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(TXB2/22:4(7Z,10Z,13Z,16Z))

{[(1S,6R,13Z,16S,17S,21R,22R,23R,24R,25S,26R)-6-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3,17,19,22,24,25,26-heptahydroxy-21-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,9-dioxo-2,4,8,20-tetraoxa-3lambda5-phosphabicyclo[14.7.3]hexacos-13-en-23-yl]oxy}phosphonic acid

C51H86O20P2 (1080.5187415999999)


PIP(TXB2/22:4(7Z,10Z,13Z,16Z)) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(TXB2/22:4(7Z,10Z,13Z,16Z)), in particular, consists of one chain of Thromboxane B2 at the C-1 position and one chain of 7Z,10Z,13Z,16Z-docosatetraenoyl at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

CDP-DG(i-12:0/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C47H78N4O18P2S (1080.4506827999999)


CDP-DG(i-12:0/LTE4) is an oxidized CDP-diacylglycerol (CDP-DG). Oxidized CDP-diacylglycerols are glycerophospholipids in which a cytidine diphosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized CDP-diacylglycerols 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, CDP-diacylglycerols 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. CDP-DG(i-12:0/LTE4), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of Leukotriene E4 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 CDP-DGs can be synthesized via three different routes. In one route, the oxidized CDP-DG is synthetized de novo following the same mechanisms as for CDP-DGs 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 CDP-DG backbone, mainly through the action of LOX (PMID: 33329396).

   

CDP-DG(LTE4/i-12:0)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-3-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-[(10-methylundecanoyl)oxy]propoxy]-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C47H78N4O18P2S (1080.4506827999999)


CDP-DG(LTE4/i-12:0) is an oxidized CDP-diacylglycerol (CDP-DG). Oxidized CDP-diacylglycerols are glycerophospholipids in which a cytidine diphosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized CDP-diacylglycerols 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, CDP-diacylglycerols 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. CDP-DG(LTE4/i-12:0), in particular, consists of one chain of one Leukotriene E4 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 CDP-DGs can be synthesized via three different routes. In one route, the oxidized CDP-DG is synthetized de novo following the same mechanisms as for CDP-DGs 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 CDP-DG backbone, mainly through the action of LOX (PMID: 33329396).

   
   
   
   
   

25(R,S)-dracaenoside P|26-O-beta-D-glucopyranosyl 25(R,S)-furost-5-en-3beta,14alpha,22xi,26-tetrol 3-O-alpha-L-rhamnopyranosyl-(1,2)-[beta-D-glucopyranosyl-(1,3)]-beta-D-glucopyranoside

25(R,S)-dracaenoside P|26-O-beta-D-glucopyranosyl 25(R,S)-furost-5-en-3beta,14alpha,22xi,26-tetrol 3-O-alpha-L-rhamnopyranosyl-(1,2)-[beta-D-glucopyranosyl-(1,3)]-beta-D-glucopyranoside

C51H84O24 (1080.5352264)


   

(25R)-5alpha-spirostan-2alpha,3beta-diol 3-O-2)-O-3)>-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranoside>|(25R)-5alpha-spirostan-2alpha,3beta-diol 3-O-{O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranoside}

(25R)-5alpha-spirostan-2alpha,3beta-diol 3-O-2)-O-3)>-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranoside>|(25R)-5alpha-spirostan-2alpha,3beta-diol 3-O-{O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranoside}

C51H84O24 (1080.5352264)


   

26-O-beta-D-glucopyranosyl-(25R)-5alpha-furostan-20(22)-en-2alpha,3beta,26-triol-3-O-{beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside}

26-O-beta-D-glucopyranosyl-(25R)-5alpha-furostan-20(22)-en-2alpha,3beta,26-triol-3-O-{beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside}

C51H84O24 (1080.5352264)


   

otophylloside I|qingyangshengenin 3-O-beta-D-glucopyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-cymaropyranosyl-(1->4)-beta-D-digitoxopyranoside

otophylloside I|qingyangshengenin 3-O-beta-D-glucopyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-cymaropyranosyl-(1->4)-beta-D-digitoxopyranoside

C54H80O22 (1080.514098)


   

(25R)-26-[(beta-D-glucopyranosyl)oxy]-17alpha,22alpha-dihydroxyfurost-5-en-3beta-yl-O-beta-D-glucopyranosyl-(1?4)-O-[alpha-L-rhamnopyranosyl-(1?2)]-beta-d-glucopyranoside

(25R)-26-[(beta-D-glucopyranosyl)oxy]-17alpha,22alpha-dihydroxyfurost-5-en-3beta-yl-O-beta-D-glucopyranosyl-(1?4)-O-[alpha-L-rhamnopyranosyl-(1?2)]-beta-d-glucopyranoside

C51H84O24 (1080.5352264)


   

26-O-[beta-D-glucopyranosyl-(1?2)-beta-D-glucopyranosyl]-(25R)-furost-5-ene-3beta,14alpha,17alpha,22alpha,26-pentol-3-O-alpha-L-rhamnopyranosyl-(1?2)-beta-D-glucopyranoside|ophiopogonin K

26-O-[beta-D-glucopyranosyl-(1?2)-beta-D-glucopyranosyl]-(25R)-furost-5-ene-3beta,14alpha,17alpha,22alpha,26-pentol-3-O-alpha-L-rhamnopyranosyl-(1?2)-beta-D-glucopyranoside|ophiopogonin K

C51H84O24 (1080.5352264)


   

26-O-beta-D-glucopyranosyl-(25R)-5alpha-furostane-12-one-3beta,22alpha,26-triol-3-O-alpha-L-rhamnopyranosyl-(1?2)-O-[beta-D-glucopyranosyl-(1?4)]-beta-D-galactopyranoside|tribulusaponin B

26-O-beta-D-glucopyranosyl-(25R)-5alpha-furostane-12-one-3beta,22alpha,26-triol-3-O-alpha-L-rhamnopyranosyl-(1?2)-O-[beta-D-glucopyranosyl-(1?4)]-beta-D-galactopyranoside|tribulusaponin B

C51H84O24 (1080.5352264)


   

3-O-{alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranosyl}-26-O-beta-D-glucopyranosylfurost-5-ene-3beta,17alpha,22alpha,25,26-pentol|lycianthoside B

3-O-{alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranosyl}-26-O-beta-D-glucopyranosylfurost-5-ene-3beta,17alpha,22alpha,25,26-pentol|lycianthoside B

C51H84O24 (1080.5352264)


   

Isoeruboside B

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7,9,13-tetramethyl-5-oxaspiro[oxane-2,6-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]-19-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

Trillfurostanoside I

26-O-beta-D-glucopyranosyl-(25R)-furost-5-en-3beta,17alpha,22alpha,26-tetrahydroxy-3-O-alpha-l-rhamnopyranosyl-(1-2)-[beta-D-glucopyranosyl-(1-6)]-O-beta-D-glucopyranoside

C51H84O24 (1080.5352264)


   

Trillfurostanoside D

26-O-beta-D-glucopyranosyl-(25R)-furosta-16,22-dione-3beta,5alpha,6beta,26-tetrahydroxy-3-O-alpha-l-rhamnopyranosyl-(1-4)-[alpha-l-rhamnopyranosyl-(1-2)]-beta-D-glucopyranoside

C51H84O24 (1080.5352264)


   

1 3 5 7 9 11 13 15-OCTACYCLOHEXYLPENTA-&

1 3 5 7 9 11 13 15-OCTACYCLOHEXYLPENTA-&

C48H88O12Si8 (1080.4429688)


   

[1,1:4,1:2,1:4,1-Quinquephenyl]-4,4-diamine, 3,4,5,6-tetrakis(4-amino[1,1-biphenyl]-4-yl)-

[1,1:4,1:2,1:4,1-Quinquephenyl]-4,4-diamine, 3,4,5,6-tetrakis(4-amino[1,1-biphenyl]-4-yl)-

C78H60N6 (1080.48792)


   

Neurokinin A(4-10), Tyr(5)-Trp(6,8,9)-Lys(10)-

3-amino-3-{[1-({1-[(1-{[1-({1-[(5-amino-1-carbamoylpentyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C57H68N12O10 (1080.5181108)


   
   
   
   
   

PIP(22:4(10Z,13Z,16Z,19Z)/6 keto-PGF1alpha)

PIP(22:4(10Z,13Z,16Z,19Z)/6 keto-PGF1alpha)

C51H86O20P2 (1080.5187415999999)


   

PIP(6 keto-PGF1alpha/22:4(10Z,13Z,16Z,19Z))

PIP(6 keto-PGF1alpha/22:4(10Z,13Z,16Z,19Z))

C51H86O20P2 (1080.5187415999999)


   

PIP(22:4(7Z,10Z,13Z,16Z)/6 keto-PGF1alpha)

PIP(22:4(7Z,10Z,13Z,16Z)/6 keto-PGF1alpha)

C51H86O20P2 (1080.5187415999999)


   

PIP(6 keto-PGF1alpha/22:4(7Z,10Z,13Z,16Z))

PIP(6 keto-PGF1alpha/22:4(7Z,10Z,13Z,16Z))

C51H86O20P2 (1080.5187415999999)


   
   
   
   
   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5s,7's,8'r,9's,12's,13's,15'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5s,7's,8'r,9's,12's,13's,15'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

2-[(6-{[6,8-dihydroxy-6-(3-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

2-[(6-{[6,8-dihydroxy-6-(3-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6-hydroxy-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-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6-hydroxy-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-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

6-hydroxy-16-{[4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-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]icosan-10-one

6-hydroxy-16-{[4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-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]icosan-10-one

C51H84O24 (1080.5352264)


   

(2r,3s,4r,5r,6s)-2-{[(2r,3s,4r,5s,6s)-2-{[(2s,3r,4s,5s,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2s,2's,4's,5s,7's,8'r,9'r,12's,13'r,15's,16's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3s,4r,5r,6s)-2-{[(2r,3s,4r,5s,6s)-2-{[(2s,3r,4s,5s,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2s,2's,4's,5s,7's,8'r,9'r,12's,13'r,15's,16's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

(1r,2s,3as,3br,5as,7s,9as,9bs,11as)-1-(acetyloxy)-7-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-2-yl (4s)-4-methyl-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoate

(1r,2s,3as,3br,5as,7s,9as,9bs,11as)-1-(acetyloxy)-7-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-2-yl (4s)-4-methyl-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoate

C51H84O24 (1080.5352264)


   

[(3s,4r,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(1s,2s,4s,8s,9s,12s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl]oxy}oxan-3-yl]oxidanesulfonic acid

[(3s,4r,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(1s,2s,4s,8s,9s,12s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl]oxy}oxan-3-yl]oxidanesulfonic acid

C49H76O24S (1080.4447016)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5s,7's,8'r,9's,12's,13's,15'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5s,7's,8'r,9's,12's,13's,15'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

3-[18,21-dibenzyl-1,4,7,10,13,16,19,22-octahydroxy-24-(c-hydroxycarbonimidoylmethyl)-9-(1-hydroxyethyl)-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-25-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-15-yl]propanoic acid

3-[18,21-dibenzyl-1,4,7,10,13,16,19,22-octahydroxy-24-(c-hydroxycarbonimidoylmethyl)-9-(1-hydroxyethyl)-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-25-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-15-yl]propanoic acid

C54H68N10O14 (1080.4916228000002)


   

2-[(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]icosan]-19'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(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]icosan]-19'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

(25r,s)-5alpha-spirostane-2alpha,3beta-diol 3-o-[o-beta-d-glucopyranosyl-(1-2)-o-[beta-d-glucopyranosyl-(1-3)]-o-beta-d-glucopyranosyl-(1-4)-beta-d-galactopyranoside]

NA

C51H84O24 (1080.5352264)


{"Ingredient_id": "HBIN004746","Ingredient_name": "(25r,s)-5alpha-spirostane-2alpha,3beta-diol 3-o-[o-beta-d-glucopyranosyl-(1-2)-o-[beta-d-glucopyranosyl-(1-3)]-o-beta-d-glucopyranosyl-(1-4)-beta-d-galactopyranoside]","Alias": "NA","Ingredient_formula": "C51H84O24","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25261","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(25r,s)-5α-spirostane-2α,3β-diol 3-o-[o-β-d-glucopyranosyl-(1→2)]-o-[β-d-glucopyranos-yl-(1→3)]-o-β-d-glucopyranosyl-(1→4)-β-d-galactopyranoside]

NA

C51H84O24 (1080.5352264)


{"Ingredient_id": "HBIN004747","Ingredient_name": "(25r,s)-5\u03b1-spirostane-2\u03b1,3\u03b2-diol 3-o-[o-\u03b2-d-glucopyranosyl-(1\u21922)]-o-[\u03b2-d-glucopyranos-yl-(1\u21923)]-o-\u03b2-d-glucopyranosyl-(1\u21924)-\u03b2-d-galactopyranoside]","Alias": "NA","Ingredient_formula": "C51H84O24","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20197","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-[(3s,9s,15s,18s,21s,24s,29as)-18,21-dibenzyl-1,4,7,10,13,16,19,22-octahydroxy-24-(c-hydroxycarbonimidoylmethyl)-9-[(1r)-1-hydroxyethyl]-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-25-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-15-yl]propanoic acid

3-[(3s,9s,15s,18s,21s,24s,29as)-18,21-dibenzyl-1,4,7,10,13,16,19,22-octahydroxy-24-(c-hydroxycarbonimidoylmethyl)-9-[(1r)-1-hydroxyethyl]-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-25-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-15-yl]propanoic acid

C54H68N10O14 (1080.4916228000002)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6-hydroxy-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-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6-hydroxy-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-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

2-[(2-{[2,6-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-16-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(2-{[2,6-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-16-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-{[(1r,2r,4s,6s,7s,8r,9r,12s,13r,16s)-2,6-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-16-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-{[(1r,2r,4s,6s,7s,8r,9r,12s,13r,16s)-2,6-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-16-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

[5-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-({16-hydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl}oxy)oxan-3-yl]oxidanesulfonic acid

[5-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-({16-hydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl}oxy)oxan-3-yl]oxidanesulfonic acid

C49H76O24S (1080.4447016)


   

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-6-{[(1r,2s,4s,6r,7s,8s,9s,12s,13r,16s)-6,8-dihydroxy-6-[(3r)-3-hydroxy-3-methyl-4-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-6-{[(1r,2s,4s,6r,7s,8s,9s,12s,13r,16s)-6,8-dihydroxy-6-[(3r)-3-hydroxy-3-methyl-4-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

2-({2-[(4,5-dihydroxy-6-{[6-hydroxy-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-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

2-({2-[(4,5-dihydroxy-6-{[6-hydroxy-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-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

2-[(2-{[2-({2-[(2-{[2-({3-carboxy-2-[(1,3-dihydroxydodecylidene)amino]-1,3-dihydroxypropylidene}amino)-1,3-dihydroxypropylidene]amino}-1,3-dihydroxypropylidene)amino]-1-hydroxy-4-(c-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-5-(n-hydroxyacetamido)pentylidene]amino}-1,3-dihydroxypropylidene)amino]-5-(n-hydroxyacetamido)pentanoic acid

2-[(2-{[2-({2-[(2-{[2-({3-carboxy-2-[(1,3-dihydroxydodecylidene)amino]-1,3-dihydroxypropylidene}amino)-1,3-dihydroxypropylidene]amino}-1,3-dihydroxypropylidene)amino]-1-hydroxy-4-(c-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-5-(n-hydroxyacetamido)pentylidene]amino}-1,3-dihydroxypropylidene)amino]-5-(n-hydroxyacetamido)pentanoic acid

C44H76N10O21 (1080.5186246)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,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's,15'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,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's,15'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

2-[(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]icosan]-15'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(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]icosan]-15'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

(1r,2s,4s,6r,7s,8r,9s,12s,13s,16s,18s)-6-hydroxy-16-{[(2r,3r,4s,5r,6r)-4-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-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]icosan-10-one

(1r,2s,4s,6r,7s,8r,9s,12s,13s,16s,18s)-6-hydroxy-16-{[(2r,3r,4s,5r,6r)-4-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-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]icosan-10-one

C51H84O24 (1080.5352264)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,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,16's,18's,19'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-19'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,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,16's,18's,19'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-19'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

2-hydroxy-2-{1,4,7,10,13,17,20,26-octahydroxy-6-[hydroxy(4-hydroxyphenyl)methyl]-12-[hydroxy(c-hydroxycarbonimidoyl)methyl]-3,22-bis(hydroxymethyl)-15-(3-hydroxypentadecyl)-23-oxo-3h,6h,9h,12h,15h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[1,2-g]1,4,7,10,13,16,19,22-octaazacyclopentacosan-9-yl}ethanimidic acid

2-hydroxy-2-{1,4,7,10,13,17,20,26-octahydroxy-6-[hydroxy(4-hydroxyphenyl)methyl]-12-[hydroxy(c-hydroxycarbonimidoyl)methyl]-3,22-bis(hydroxymethyl)-15-(3-hydroxypentadecyl)-23-oxo-3h,6h,9h,12h,15h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[1,2-g]1,4,7,10,13,16,19,22-octaazacyclopentacosan-9-yl}ethanimidic acid

C48H76N10O18 (1080.5338796)


   

(2s,3r,4s,5r,6r)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6-hydroxy-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-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5r,6r)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6-hydroxy-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-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O24 (1080.5352264)


   

[(3s,4r,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(1s,2s,4s,8s,9s,12s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl]oxy}oxan-3-yl]oxidanesulfonic acid

[(3s,4r,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(1s,2s,4s,8s,9s,12s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl]oxy}oxan-3-yl]oxidanesulfonic acid

C49H76O24S (1080.4447016)