Exact Mass: 1050.5650584

Exact Mass Matches: 1050.5650584

Found 125 metabolites which its exact mass value is equals to given mass value 1050.5650584, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

gitonin

NSC697274

C50H82O23 (1050.5246622)


D020011 - Protective Agents > D002316 - Cardiotonic Agents > D004071 - Digitalis Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides

   

b-Chlorogenin 3-[4'-(2'-glucosyl-3'-xylosylglucosyl)galactoside]

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)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


b-Chlorogenin 3-[4-(2-glucosyl-3-xylosylglucosyl)galactoside] is found in onion-family vegetables. b-Chlorogenin 3-[4-(2-glucosyl-3-xylosylglucosyl)galactoside] is a constituent of Allium porrum (leek)

   

PIP2(16:0/22:2(13Z,16Z))

{[(4S,6S)-4-({[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,3,5-trihydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(16:0/22:2(13Z,16Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(16:0/22:2(13Z,16Z)), in particular, consists of one chain of palmitic acid at the C-1 position and one chain of docosadienoic acid at the C-2 position. The palmitic acid moiety is derived from fish oils, milk fats, vegetable oils and animal fats, while the docosadienoic acid moiety is derived from animal fats. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP2(16:0/22:2(13Z,16Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(16:0/22:2(13Z,16Z)), in particular, consists of one chain of palmitic acid at the C-1 position and one chain of docosadienoic acid at the C-2 position. The palmitic acid moiety is derived from fish oils, milk fats, vegetable oils and animal fats, while the docosadienoic acid moiety is derived from animal fats. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP2(18:0/20:2(11Z,14Z))

{[(4S,6S)-2,3,5-trihydroxy-4-({hydroxy[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(18:0/20:2(11Z,14Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(18:0/20:2(11Z,14Z)), in particular, consists of one chain of stearic acid at the C-1 position and one chain of eicosadienoic acid at the C-2 position. The stearic acid moiety is derived from animal fats, coco butter and sesame oil, while the eicosadienoic acid moiety is derived from fish oils and liver. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP2(18:0/20:2(11Z,14Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(18:0/20:2(11Z,14Z)), in particular, consists of one chain of stearic acid at the C-1 position and one chain of eicosadienoic acid at the C-2 position. The stearic acid moiety is derived from animal fats, coco butter and sesame oil, while the eicosadienoic acid moiety is derived from fish oils and liver. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP2(18:1(11Z)/20:1(11Z))

{[(4S,6S)-2,3,5-trihydroxy-4-({hydroxy[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(18:1(11Z)/20:1(11Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(18:1(11Z)/20:1(11Z)), in particular, consists of one chain of vaccenic acid at the C-1 position and one chain of eicosenoic acid at the C-2 position. The vaccenic acid moiety is derived from butter fat and animal fat, while the eicosenoic acid moiety is derived from vegetable oils and cod oils. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP2(18:1(11Z)/20:1(11Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(18:1(11Z)/20:1(11Z)), in particular, consists of one chain of vaccenic acid at the C-1 position and one chain of eicosenoic acid at the C-2 position. The vaccenic acid moiety is derived from butter fat and animal fat, while the eicosenoic acid moiety is derived from vegetable oils and cod oils. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP2(18:1(9Z)/20:1(11Z))

{[(4S,6S)-2,3,5-trihydroxy-4-({hydroxy[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(18:1(9Z)/20:1(11Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(18:1(9Z)/20:1(11Z)), in particular, consists of one chain of oleic acid at the C-1 position and one chain of eicosenoic acid at the C-2 position. The oleic acid moiety is derived from vegetable oils, especially olive and canola oil, while the eicosenoic acid moiety is derived from vegetable oils and cod oils. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP2(18:1(9Z)/20:1(11Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(18:1(9Z)/20:1(11Z)), in particular, consists of one chain of oleic acid at the C-1 position and one chain of eicosenoic acid at the C-2 position. The oleic acid moiety is derived from vegetable oils, especially olive and canola oil, while the eicosenoic acid moiety is derived from vegetable oils and cod oils. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP2(18:2(9Z,12Z)/20:0)

{[(4S,6S)-2,3,5-trihydroxy-4-({hydroxy[(2R)-2-(icosanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(18:2(9Z,12Z)/20:0) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(18:2(9Z,12Z)/20:0), in particular, consists of one chain of linoleic acid at the C-1 position and one chain of arachidic acid at the C-2 position. The linoleic acid moiety is derived from seed oils, while the arachidic acid moiety is derived from peanut oil. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP2(18:2(9Z,12Z)/20:0) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(18:2(9Z,12Z)/20:0), in particular, consists of one chain of linoleic acid at the C-1 position and one chain of arachidic acid at the C-2 position. The linoleic acid moiety is derived from seed oils, while the arachidic acid moiety is derived from peanut oil. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP2(20:0/18:2(9Z,12Z))

{[(4S,6S)-2,3,5-trihydroxy-4-({hydroxy[(2R)-3-(icosanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(20:0/18:2(9Z,12Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(20:0/18:2(9Z,12Z)), in particular, consists of one chain of arachidic acid at the C-1 position and one chain of linoleic acid at the C-2 position. The arachidic acid moiety is derived from peanut oil, while the linoleic acid moiety is derived from seed oils. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP2(20:0/18:2(9Z,12Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(20:0/18:2(9Z,12Z)), in particular, consists of one chain of arachidic acid at the C-1 position and one chain of linoleic acid at the C-2 position. The arachidic acid moiety is derived from peanut oil, while the linoleic acid moiety is derived from seed oils. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP2(20:1(11Z)/18:1(11Z))

{[(4S,6S)-2,3,5-trihydroxy-4-({hydroxy[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(20:1(11Z)/18:1(11Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(20:1(11Z)/18:1(11Z)), in particular, consists of one chain of eicosenoic acid at the C-1 position and one chain of vaccenic acid at the C-2 position. The eicosenoic acid moiety is derived from vegetable oils and cod oils, while the vaccenic acid moiety is derived from butter fat and animal fat. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP2(20:1(11Z)/18:1(11Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(20:1(11Z)/18:1(11Z)), in particular, consists of one chain of eicosenoic acid at the C-1 position and one chain of vaccenic acid at the C-2 position. The eicosenoic acid moiety is derived from vegetable oils and cod oils, while the vaccenic acid moiety is derived from butter fat and animal fat. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP2(20:1(11Z)/18:1(9Z))

{[(4S,6S)-2,3,5-trihydroxy-4-({hydroxy[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphoryl}oxy)-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(20:1(11Z)/18:1(9Z)) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(20:1(11Z)/18:1(9Z)), in particular, consists of one chain of eicosenoic acid at the C-1 position and one chain of oleic acid at the C-2 position. The eicosenoic acid moiety is derived from vegetable oils and cod oils, while the oleic acid moiety is derived from vegetable oils, especially olive and canola oil. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP2(20:2(11Z,14Z)/18:0)

{[(4S,6S)-2,3,5-trihydroxy-4-({hydroxy[(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(20:2(11Z,14Z)/18:0) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(20:2(11Z,14Z)/18:0), in particular, consists of one chain of eicosadienoic acid at the C-1 position and one chain of stearic acid at the C-2 position. The eicosadienoic acid moiety is derived from fish oils and liver, while the stearic acid moiety is derived from animal fats, coco butter and sesame oil. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP2(20:2(11Z,14Z)/18:0) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(20:2(11Z,14Z)/18:0), in particular, consists of one chain of eicosadienoic acid at the C-1 position and one chain of stearic acid at the C-2 position. The eicosadienoic acid moiety is derived from fish oils and liver, while the stearic acid moiety is derived from animal fats, coco butter and sesame oil. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP2(22:2(13Z,16Z)/16:0)

{[(4S,6S)-4-({[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,3,5-trihydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid

C47H89O19P3 (1050.5210634)


PIP2(22:2(13Z,16Z)/16:0) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(22:2(13Z,16Z)/16:0), in particular, consists of one chain of docosadienoic acid at the C-1 position and one chain of palmitic acid at the C-2 position. The docosadienoic acid moiety is derived from animal fats, while the palmitic acid moiety is derived from fish oils, milk fats, vegetable oils and animal fats. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP2(22:2(13Z,16Z)/16:0) is a phosphatidylinositol bisphosphate. Phosphatidylinositol bisphosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a bisphosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol bisphosphates 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. Phosphatidylinositols bisphosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP2(22:2(13Z,16Z)/16:0), in particular, consists of one chain of docosadienoic acid at the C-1 position and one chain of palmitic acid at the C-2 position. The docosadienoic acid moiety is derived from animal fats, while the palmitic acid moiety is derived from fish oils, milk fats, vegetable oils and animal fats. The most important phosphatidylinositol bisphosphate in both quantitative and biological terms is phosphatidylinositol 4,5-bisphosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

L-Phenylalaninamide,L-prolyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-L-isoleucyl-(9CI)

3-({2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-3-phenylpropanoyl}oxy)-4-[(1-hydroxy-2-{[1-hydroxy-2-({hydroxy[1-(2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}-3-(1H-imidazol-5-yl)propanoyl)pyrrolidin-2-yl]methylidene}amino)-3-phenylpropylidene]amino}-3-(1H-imidazol-5-yl)propylidene)amino]-6-methylheptanoate

C54H74N12O10 (1050.5650584)


   

PIP(20:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

{[(1R,3S)-3-({[(2R)-2-{[(5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-3-(icosanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(20:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 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(20:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of eicosanoyl at the C-1 position and one chain of Resolvin D5 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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:0)

{[(1R,3S)-3-({[(2R)-3-{[(5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-2-(icosanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:0) 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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:0), in particular, consists of one chain of Resolvin D5 at the C-1 position and one chain of eicosanoyl 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(20:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

{[(1R,3S)-3-({[(2R)-2-{[(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-3-(icosanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(20:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 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(20:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of eicosanoyl at the C-1 position and one chain of Protectin DX 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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:0)

{[(1R,3S)-3-({[(2R)-3-{[(4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-2-(icosanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:0) 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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:0), in particular, consists of one chain of Protectin DX at the C-1 position and one chain of eicosanoyl 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(22:2(13Z,16Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

{[(1R,3S)-3-({[(2R)-2-{[(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy}-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(22:2(13Z,16Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) 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(22:2(13Z,16Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)), in particular, consists of one chain of 13Z,16Z-docosadienoyl at the C-1 position and one chain of Leukotriene B4 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(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/22:2(13Z,16Z))

{[(1R,3S)-3-({[(2R)-3-{[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy}-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/22:2(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(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/22:2(13Z,16Z)), in particular, consists of one chain of Leukotriene B4 at the C-1 position and one chain of 13Z,16Z-docosadienoyl 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(22:2(13Z,16Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

{[(1R,3S)-3-({[(2R)-2-{[(5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy}-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(22:2(13Z,16Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 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(22:2(13Z,16Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)), in particular, consists of one chain of 13Z,16Z-docosadienoyl at the C-1 position and one chain of 5(S),15(S)-Dihydroxyeicosatetraenoyl 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(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/22:2(13Z,16Z))

{[(1R,3S)-3-({[(2R)-3-{[(5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy}-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/22:2(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(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/22:2(13Z,16Z)), in particular, consists of one chain of 5(S),15(S)-Dihydroxyeicosatetraenoyl at the C-1 position and one chain of 13Z,16Z-docosadienoyl 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(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))

{[(1R,3S)-3-({[(2R)-2-{[(5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxy}-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 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(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)), in particular, consists of one chain of 13Z,16Z-docosadienoyl at the C-1 position and one chain of 5,6-Dihydroxyeicosatetraenoyl 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(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:2(13Z,16Z))

{[(1R,3S)-3-({[(2R)-3-{[(5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxy}-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H88O18P2 (1050.5445608)


PIP(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:2(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(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:2(13Z,16Z)), in particular, consists of one chain of 5,6-Dihydroxyeicosatetraenoyl at the C-1 position and one chain of 13Z,16Z-docosadienoyl 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.

   

Gitonin

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)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


F-gitonin is a member of the class of compounds known as steroidal saponins. Steroidal saponins are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. F-gitonin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). F-gitonin can be found in soft-necked garlic, which makes F-gitonin a potential biomarker for the consumption of this food product.

   
   

26-O-beta-D-glucopyranosyl-(25R)-3beta,22xi,26-trihydroxy-5alpha-furostane 3-O-beta-chacotrioside

26-O-beta-D-glucopyranosyl-(25R)-3beta,22xi,26-trihydroxy-5alpha-furostane 3-O-beta-chacotrioside

C51H86O22 (1050.5610456)


   
   
   
   
   
   

3-O-beta-chacotriosyl 3beta,16beta,22,26-tetrahydroxycholest-5-ene 26-O-beta-D-glucopyranoside|anguivioside A

3-O-beta-chacotriosyl 3beta,16beta,22,26-tetrahydroxycholest-5-ene 26-O-beta-D-glucopyranoside|anguivioside A

C51H86O22 (1050.5610456)


   

27-nor-mycaloside A|mycaloside B

27-nor-mycaloside A|mycaloside B

C50H82O23 (1050.5246622)


   
   

28-nor-mycaloside A|mycaloside C

28-nor-mycaloside A|mycaloside C

C50H82O23 (1050.5246622)


   
   

26-O-beta-glucopyranosyl-(25R)-22-hydroxy-5-ene-furostane-3beta,17alpha,26-triol 3-O-alpha-L-arabinofuranosyl-(1->4)-[alpha-L-rhamnopyranosyl-(1->2)]-beta-D-glucopyranoside

26-O-beta-glucopyranosyl-(25R)-22-hydroxy-5-ene-furostane-3beta,17alpha,26-triol 3-O-alpha-L-arabinofuranosyl-(1->4)-[alpha-L-rhamnopyranosyl-(1->2)]-beta-D-glucopyranoside

C50H82O23 (1050.5246622)


   

3-O-acetyl-6-O-trans-crotonylcolubrin

3-O-acetyl-6-O-trans-crotonylcolubrin

C54H82O20 (1050.5399172)


   

(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-xylopyranoside

(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-xylopyranoside

C50H82O23 (1050.5246622)


   

26-O-beta-D-glucopyranosyl-(25R)-furost-5-ene-3beta,14alpha,22alpha,26-tetraol-3-O-beta-D-xylopyranosyl-(1?4)-[alpha-L-rhamnopyranosyl-(1?2)]-beta-D-glucopyranoside|ophiopogonin I

26-O-beta-D-glucopyranosyl-(25R)-furost-5-ene-3beta,14alpha,22alpha,26-tetraol-3-O-beta-D-xylopyranosyl-(1?4)-[alpha-L-rhamnopyranosyl-(1?2)]-beta-D-glucopyranoside|ophiopogonin I

C50H82O23 (1050.5246622)


   

furost-20(22)-ene-2alpha,3beta-diol 3-O-[beta-D-xylopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->4))-O-beta-D-galactopyranosyl]-26-O-beta-D-glucopyranoside|hirtifolioside B

furost-20(22)-ene-2alpha,3beta-diol 3-O-[beta-D-xylopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->4))-O-beta-D-galactopyranosyl]-26-O-beta-D-glucopyranoside|hirtifolioside B

C50H82O23 (1050.5246622)


   

PIP2(38:2)

1-(13Z,16Z-Docosadienoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1-myo-inositol-3,4-bisphosphate)

C47H89O19P3 (1050.5210634)


   

b-Chlorogenin 3-[4''-(2'''-glucosyl-3'''-xylosylglucosyl)galactoside]

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-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

3-O-(Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol

3-O-(Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol

C50H82O23 (1050.5246622)


   
   

PIP(20:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

PIP(20:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

C51H88O18P2 (1050.5445608)


   

PIP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:0)

PIP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:0)

C51H88O18P2 (1050.5445608)


   

PIP(20:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

PIP(20:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

C51H88O18P2 (1050.5445608)


   

PIP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:0)

PIP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:0)

C51H88O18P2 (1050.5445608)


   

PIP(22:2(13Z,16Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

PIP(22:2(13Z,16Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

C51H88O18P2 (1050.5445608)


   

PIP(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/22:2(13Z,16Z))

PIP(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/22:2(13Z,16Z))

C51H88O18P2 (1050.5445608)


   

PIP(22:2(13Z,16Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

PIP(22:2(13Z,16Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

C51H88O18P2 (1050.5445608)


   

PIP(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/22:2(13Z,16Z))

PIP(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/22:2(13Z,16Z))

C51H88O18P2 (1050.5445608)


   

PIP(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))

PIP(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))

C51H88O18P2 (1050.5445608)


   

PIP(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:2(13Z,16Z))

PIP(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:2(13Z,16Z))

C51H88O18P2 (1050.5445608)


   

Acrophiarin

Acrophiarin

C49H78N8O17 (1050.5484658)


A cyclic hexapeptide echinocandin antibiotic with a myristoyl side chain. It is produced by a specific strain of Penicillium arenicola and exhibits antimycotic activity.

   

[3-[[3-[[3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoate

[3-[[3-[[3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoate

C55H88O15P2 (1050.5598158)


   

[3-[[3-[[3-[(7E,9E,11E,13E,15Z,17E,19E)-docosa-7,9,11,13,15,17,19-heptaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoate

[3-[[3-[[3-[(7E,9E,11E,13E,15Z,17E,19E)-docosa-7,9,11,13,15,17,19-heptaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoate

C55H88O15P2 (1050.5598158)


   

[3-[[3-[[3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (3Z,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-3,6,9,12,15,18,21-heptaenoate

[3-[[3-[[3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (3Z,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-3,6,9,12,15,18,21-heptaenoate

C55H88O15P2 (1050.5598158)


   

[3-[[3-[[3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate

[3-[[3-[[3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate

C55H88O15P2 (1050.5598158)


   
   
   
   
   
   
   

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)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-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)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

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

C51H86O22 (1050.5610456)


   

(1s,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

(1s,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

C56H90O18 (1050.612684)


   

(5r,8s,11r,12s,15s,18s,19s,22r)-18-[(1e,3e,5s,6s)-6-(acetyloxy)-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-15-(4-carbamimidamidobutyl)-3,6,9,13,16,20-hexahydroxy-1,5,12,19-tetramethyl-8-[(2s)-2-methylbutyl]-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

(5r,8s,11r,12s,15s,18s,19s,22r)-18-[(1e,3e,5s,6s)-6-(acetyloxy)-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-15-(4-carbamimidamidobutyl)-3,6,9,13,16,20-hexahydroxy-1,5,12,19-tetramethyl-8-[(2s)-2-methylbutyl]-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C52H78N10O13 (1050.5749538)


   

(1r,3as,3br,6r,7s,9ar,9bs,11ar)-7-{[(2r,3r,4r,5r,6r)-4-{[(2s,3s,4r,5r)-3,5-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-1-[(2r)-1-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-3-one

(1r,3as,3br,6r,7s,9ar,9bs,11ar)-7-{[(2r,3r,4r,5r,6r)-4-{[(2s,3s,4r,5r)-3,5-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-1-[(2r)-1-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-3-one

C50H82O23 (1050.5246622)


   

(25r)-5α-spirostan-3β,6β-diol 3-o-{o-β-d-glu-copyranosyl-(1→2)-o-[β-d-xylopyranosyl-(1→3)]-o-β-d-glucopyranosyl-(1→4)-β-d-galactopyranoside}

NA

C50H82O23 (1050.5246622)


{"Ingredient_id": "HBIN004743","Ingredient_name": "(25r)-5\u03b1-spirostan-3\u03b2,6\u03b2-diol 3-o-{o-\u03b2-d-glu-copyranosyl-(1\u21922)-o-[\u03b2-d-xylopyranosyl-(1\u21923)]-o-\u03b2-d-glucopyranosyl-(1\u21924)-\u03b2-d-galactopyranoside}","Alias": "NA","Ingredient_formula": "C50H82O23","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)O)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20195","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

26-o-β-d-glucopyranosyl-(25r)-3β,22ξ,26-tri-hydroxyl-5α-furostane 3-o-β-chacotrioside

NA

C51H86O22 (1050.5610456)


{"Ingredient_id": "HBIN004963","Ingredient_name": "26-o-\u03b2-d-glucopyranosyl-(25r)-3\u03b2,22\u03be,26-tri-hydroxyl-5\u03b1-furostane 3-o-\u03b2-chacotrioside","Alias": "NA","Ingredient_formula": "C51H86O22","Ingredient_Smile": "CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8741","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

Anemarsaponin F

anemarsaponin f

C50H82O23 (1050.5246622)


{"Ingredient_id": "HBIN016064","Ingredient_name": "Anemarsaponin F","Alias": "anemarsaponin f","Ingredient_formula": "C50H82O23","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(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1","Ingredient_weight": "1051.2 g/mol","OB_score": "9.203796338","CAS_id": "NA","SymMap_id": "SMIT06406;SMIT14292","TCMID_id": "1176","TCMSP_id": "MOL004488","TCM_ID_id": "6797","PubChem_id": "102586053","DrugBank_id": "NA"}

   

asp-vi

NA

C51H86O22 (1050.5610456)


{"Ingredient_id": "HBIN017159","Ingredient_name": "asp-vi","Alias": "NA","Ingredient_formula": "C51H86O22","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1907","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

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

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

C50H82O23 (1050.5246622)


   

[(2r,3r,4s,5r,6s)-4-(acetyloxy)-6-{[(2s,3r,4s,5s)-3-(acetyloxy)-5-hydroxy-2-{[(1s,2r,5r,7s,10r,11r,14r,15s,16s,18r,20s)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3-hydroxy-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl (2e)-but-2-enoate

[(2r,3r,4s,5r,6s)-4-(acetyloxy)-6-{[(2s,3r,4s,5s)-3-(acetyloxy)-5-hydroxy-2-{[(1s,2r,5r,7s,10r,11r,14r,15s,16s,18r,20s)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3-hydroxy-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl (2e)-but-2-enoate

C54H82O20 (1050.5399172)


   

n-[(11s,13r,17s,20s,22r,23r,27s,28s)-6-[(1s)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-5,8,10,13,19,22,23,25,27-nonahydroxy-17-[(1r)-1-hydroxyethyl]-3-(hydroxymethyl)-28-methyl-2,16-dioxo-1,4,7,9,15,18,24-heptaazatricyclo[24.3.0.0¹¹,¹⁵]nonacosa-4,7,9,18,24-pentaen-20-yl]-12-methyltetradecanimidic acid

n-[(11s,13r,17s,20s,22r,23r,27s,28s)-6-[(1s)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-5,8,10,13,19,22,23,25,27-nonahydroxy-17-[(1r)-1-hydroxyethyl]-3-(hydroxymethyl)-28-methyl-2,16-dioxo-1,4,7,9,15,18,24-heptaazatricyclo[24.3.0.0¹¹,¹⁵]nonacosa-4,7,9,18,24-pentaen-20-yl]-12-methyltetradecanimidic acid

C49H78N8O17 (1050.5484658)


   

(1s,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

(1s,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

C56H90O18 (1050.612684)


   

(2s,3r,4s,5s,6r)-2-{[(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'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}-4-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(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'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}-4-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,12,19-trimethyl-5-[(2s)-2-methylbutyl]-2-methylidene-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,12,19-trimethyl-5-[(2s)-2-methylbutyl]-2-methylidene-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C53H82N10O12 (1050.6113372)


   

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

C50H82O23 (1050.5246622)


   

(2s,3r,4s,5r,6r)-2-{[(2s,3r,4s,5r,6r)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1's,2r,2's,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]icosan]-14'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5r,6r)-2-{[(2s,3r,4s,5r,6r)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1's,2r,2's,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]icosan]-14'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

7-({4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-6-hydroxy-1-(1-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-3-one

7-({4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-6-hydroxy-1-(1-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-3-one

C50H82O23 (1050.5246622)


   

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

C50H82O23 (1050.5246622)


   

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

C51H86O22 (1050.5610456)


   

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-22-(methoxycarbonyl)-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11-carboxylic acid

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-22-(methoxycarbonyl)-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11-carboxylic acid

C53H82N10O12 (1050.6113372)


   

(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)-4-{[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-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)-4-{[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

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

C51H86O22 (1050.5610456)


   

(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

C56H90O18 (1050.612684)


   

1-acetyl-3a,3b-dihydroxy-7-[(5-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl 3,4-dimethylpent-2-enoate

1-acetyl-3a,3b-dihydroxy-7-[(5-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl 3,4-dimethylpent-2-enoate

C56H90O18 (1050.612684)


   

(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,2s,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)-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-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,2s,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)-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

2-[(6-{[3,6-dihydroxy-1-(1-hydroxy-5-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(6-{[3,6-dihydroxy-1-(1-hydroxy-5-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

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]-14'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-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]-14'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

2-(4-{16-[(5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

2-(4-{16-[(5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

C56H90O18 (1050.612684)


   

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

C51H86O22 (1050.5610456)


   

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)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-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)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

2-[(6-{[3,6-dihydroxy-1-(1-hydroxy-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(6-{[3,6-dihydroxy-1-(1-hydroxy-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

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

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

C50H82O23 (1050.5246622)


   

(3s,4r)-2-{[(2s,4s,5r)-2-{[(3r,4r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(5s,7's,9's,13's,15'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)-4-{[(2s,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(3s,4r)-2-{[(2s,4s,5r)-2-{[(3r,4r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(5s,7's,9's,13's,15'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)-4-{[(2s,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

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

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

C51H86O22 (1050.5610456)


   

(2s,3r,4s,5r,6r)-2-{[(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'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}-4-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}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-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}-4-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

(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)-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-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)-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-6-{[(1r,3s,3as,3br,6r,7s,9ar,9bs,11ar)-3,6-dihydroxy-1-[(2s,3e,5s)-1-hydroxy-5-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-{[(2s,3s,4r,5r)-3,5-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-6-{[(1r,3s,3as,3br,6r,7s,9ar,9bs,11ar)-3,6-dihydroxy-1-[(2s,3e,5s)-1-hydroxy-5-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-{[(2s,3s,4r,5r)-3,5-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

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

C50H82O23 (1050.5246622)


   

(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-6-{[(1r,3s,3as,3br,6r,7s,9ar,9bs,11ar)-3,6-dihydroxy-1-[(2r,3e,5r)-1-hydroxy-5-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-{[(2s,3s,4r,5r)-4,5-dihydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-6-{[(1r,3s,3as,3br,6r,7s,9ar,9bs,11ar)-3,6-dihydroxy-1-[(2r,3e,5r)-1-hydroxy-5-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-{[(2s,3s,4r,5r)-4,5-dihydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

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

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

C50H82O23 (1050.5246622)


   

(2s,3r,4s,5s,6s)-2-{[(2s,3r,4s,5r,6r)-2-{[(2s,3r,4r,5r,6s)-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)-4-{[(2r,3s,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6s)-2-{[(2s,3r,4s,5r,6r)-2-{[(2s,3r,4r,5r,6s)-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)-4-{[(2r,3s,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

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

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

C51H86O22 (1050.5610456)


   

(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

C56H90O18 (1050.612684)


   

(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,2r,2's,4'r,5r,7'r,8's,9's,12'r,13'r,16'r,18'r,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)-4-{[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-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,2r,2's,4'r,5r,7'r,8's,9's,12'r,13'r,16'r,18'r,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)-4-{[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-6-{[(1r,3s,3as,3br,6r,7s,9ar,9bs,11ar)-3,6-dihydroxy-1-[(2r,3e)-1-hydroxy-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-{[(2s,3s,4r,5r)-4,5-dihydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-6-{[(1r,3s,3as,3br,6r,7s,9ar,9bs,11ar)-3,6-dihydroxy-1-[(2r,3e)-1-hydroxy-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-{[(2s,3s,4r,5r)-4,5-dihydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,12,19-trimethyl-8-[(2s)-2-methylbutyl]-2-methylidene-5-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,12,19-trimethyl-8-[(2s)-2-methylbutyl]-2-methylidene-5-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C53H82N10O12 (1050.6113372)


   

(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-6-{[(1r,3s,3as,3br,6r,7s,9ar,9bs,11ar)-3,6-dihydroxy-1-[(2s,3e)-1-hydroxy-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-{[(2s,3s,4r,5r)-3,5-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-6-{[(1r,3s,3as,3br,6r,7s,9ar,9bs,11ar)-3,6-dihydroxy-1-[(2s,3e)-1-hydroxy-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-{[(2s,3s,4r,5r)-3,5-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

(1r,3as,3br,6r,7s,9ar,9bs,11ar)-7-{[(2r,3r,4r,5r,6r)-4-{[(2s,3s,4r,5r)-4,5-dihydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-1-[(2r)-1-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-3-one

(1r,3as,3br,6r,7s,9ar,9bs,11ar)-7-{[(2r,3r,4r,5r,6r)-4-{[(2s,3s,4r,5r)-4,5-dihydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-hydroxy-1-[(2r)-1-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-3-one

C50H82O23 (1050.5246622)


   

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-2-{[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1's,2r,2's,4's,5r,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]icosan]-14'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-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's,2r,2's,4's,5r,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]icosan]-14'-oloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1r,2s,4s,8s,9s,12s,13s,15r,16r,18s)-16-{[(2r,3r,4r,5r,6r)-5-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1r,2s,4s,8s,9s,12s,13s,15r,16r,18s)-16-{[(2r,3r,4r,5r,6r)-5-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

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

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

C50H82O23 (1050.5246622)


   

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

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

C50H82O23 (1050.5246622)


   

(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

(1r,3ar,3bs,7s,9ar,9br,11r,11as)-1-acetyl-3a,3b-dihydroxy-7-{[(2r,4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3,4-dimethylpent-2-enoate

C56H90O18 (1050.612684)


   

(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)-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-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)-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C50H82O23 (1050.5246622)


   

[4-(acetyloxy)-6-{[3-(acetyloxy)-5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3-hydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]methyl but-2-enoate

[4-(acetyloxy)-6-{[3-(acetyloxy)-5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3-hydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]methyl but-2-enoate

C54H82O20 (1050.5399172)