Exact Mass: 1038.5081774

Exact Mass Matches: 1038.5081774

Found 98 metabolites which its exact mass value is equals to given mass value 1038.5081774, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Mabioside E

[18-(1-Hydroxy-2-methylprop-2-en-1-yl)-7-{[4-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,6,10,16-pentamethyl-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-16-yl]oxidanesulphonic acid

C48H78O22S (1038.4705208)


Mabioside E is found in beverages. Mabioside E is a constituent of Colubrina elliptica (mabi). Constituent of Colubrina elliptica (mabi). Mabioside E is found in beverages.

   

PIP(20:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(20:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of 11Z-eicosenoyl at the C-1 position and one chain of Lipoxin A5 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:1(11Z))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:1(11Z)) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:1(11Z)), in particular, consists of one chain of Lipoxin A5 at the C-1 position and one chain of 11Z-eicosenoyl 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(20:2(11Z,14Z)/PGE2)

{[(1S,6R,12Z,15R,18R,19S,20R,21R,22R,23S,24R)-3,18,20,22,23,24-hexahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(11Z,14Z)-icosa-11,14-dienoyloxy]methyl}-3,8,16-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracos-12-en-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:2(11Z,14Z)/PGE2) 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(20:2(11Z,14Z)/PGE2), in particular, consists of one chain of 11Z,14Z-eicosadienoyl at the C-1 position and one chain of Prostaglandin E2 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(PGE2/20:2(11Z,14Z))

{[(1S,6R,13Z,16R,19R,20S,21R,22R,23R,24S,25R)-3,19,21,23,24,25-hexahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3,9,17-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacos-13-en-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGE2/20:2(11Z,14Z)) 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(PGE2/20:2(11Z,14Z)), in particular, consists of one chain of Prostaglandin E2 at the C-1 position and one chain of 11Z,14Z-eicosadienoyl 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(20:2(11Z,14Z)/PGD2)

{[(1S,6R,12Z,15S,16S,19R,20R,21R,22R,23S,24R)-3,16,20,22,23,24-hexahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(11Z,14Z)-icosa-11,14-dienoyloxy]methyl}-3,8,18-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracos-12-en-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:2(11Z,14Z)/PGD2) 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(20:2(11Z,14Z)/PGD2), in particular, consists of one chain of 11Z,14Z-eicosadienoyl at the C-1 position and one chain of Prostaglandin D2 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(PGD2/20:2(11Z,14Z))

{[(1S,6R,13Z,16S,17S,20R,21R,22R,23R,24S,25R)-3,17,21,23,24,25-hexahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3,9,19-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacos-13-en-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGD2/20:2(11Z,14Z)) 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(PGD2/20:2(11Z,14Z)), in particular, consists of one chain of Prostaglandin D2 at the C-1 position and one chain of 11Z,14Z-eicosadienoyl 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(20:2(11Z,14Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-{[(5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:2(11Z,14Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,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(20:2(11Z,14Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)), in particular, consists of one chain of 11Z,14Z-eicosadienoyl at the C-1 position and one chain of Lipoxin A4 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(7E,9E,11Z,13E)-3OH(5S,6R,15S)/20:2(11Z,14Z))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-{[(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/20:2(11Z,14Z)) 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(7E,9E,11Z,13E)-3OH(5S,6R,15S)/20:2(11Z,14Z)), in particular, consists of one chain of Lipoxin A4 at the C-1 position and one chain of 11Z,14Z-eicosadienoyl 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(20:3(5Z,8Z,11Z)/PGF2alpha)

{[(1S,6R,12E,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,22,23,24-heptahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]methyl}-3,8-dioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracos-12-en-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:3(5Z,8Z,11Z)/PGF2alpha) 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(20:3(5Z,8Z,11Z)/PGF2alpha), in particular, consists of one chain of 5Z,8Z,11Z-eicosatrienoyl at the C-1 position and one chain of Prostaglandin F2alpha 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(PGF2alpha/20:3(5Z,8Z,11Z))

{[(1S,6R,13E,16S,17S,19R,20S,21R,22R,23R,24S,25R)-3,17,19,21,23,24,25-heptahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3,9-dioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacos-13-en-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGF2alpha/20:3(5Z,8Z,11Z)) 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(PGF2alpha/20:3(5Z,8Z,11Z)), in particular, consists of one chain of Prostaglandin F2alpha at the C-1 position and one chain of 5Z,8Z,11Z-eicosatrienoyl 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(20:3(5Z,8Z,11Z)/PGE1)

{[(1S,6R,15R,18R,19S,20R,21R,22R,23S,24R)-3,18,20,22,23,24-hexahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]methyl}-3,8,16-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:3(5Z,8Z,11Z)/PGE1) 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(20:3(5Z,8Z,11Z)/PGE1), in particular, consists of one chain of 5Z,8Z,11Z-eicosatrienoyl at the C-1 position and one chain of Prostaglandin E1 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(PGE1/20:3(5Z,8Z,11Z))

{[(1S,6R,16R,19R,20S,21R,22R,23R,24S,25R)-3,19,21,23,24,25-hexahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3,9,17-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGE1/20:3(5Z,8Z,11Z)) 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(PGE1/20:3(5Z,8Z,11Z)), in particular, consists of one chain of Prostaglandin E1 at the C-1 position and one chain of 5Z,8Z,11Z-eicosatrienoyl 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(20:3(5Z,8Z,11Z)/PGD1)

{[(1S,6R,15S,16S,19R,20R,21R,22R,23S,24R)-3,16,20,22,23,24-hexahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]methyl}-3,8,18-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:3(5Z,8Z,11Z)/PGD1) 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(20:3(5Z,8Z,11Z)/PGD1), in particular, consists of one chain of 5Z,8Z,11Z-eicosatrienoyl at the C-1 position and one chain of Prostaglandin D1 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(PGD1/20:3(5Z,8Z,11Z))

{[(1S,6R,16S,17S,20R,21R,22R,23R,24S,25R)-3,17,21,23,24,25-hexahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3,9,19-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGD1/20:3(5Z,8Z,11Z)) 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(PGD1/20:3(5Z,8Z,11Z)), in particular, consists of one chain of Prostaglandin D1 at the C-1 position and one chain of 5Z,8Z,11Z-eicosatrienoyl 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(20:3(8Z,11Z,14Z)/PGF2alpha)

{[(1S,6R,12E,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,22,23,24-heptahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]methyl}-3,8-dioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracos-12-en-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:3(8Z,11Z,14Z)/PGF2alpha) 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(20:3(8Z,11Z,14Z)/PGF2alpha), in particular, consists of one chain of 8Z,11Z,14Z-eicosatrienoyl at the C-1 position and one chain of Prostaglandin F2alpha 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(PGF2alpha/20:3(8Z,11Z,14Z))

{[(1S,6R,13E,16S,17S,19R,20S,21R,22R,23R,24S,25R)-3,17,19,21,23,24,25-heptahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3,9-dioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacos-13-en-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGF2alpha/20:3(8Z,11Z,14Z)) 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(PGF2alpha/20:3(8Z,11Z,14Z)), in particular, consists of one chain of Prostaglandin F2alpha at the C-1 position and one chain of 8Z,11Z,14Z-eicosatrienoyl 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(20:3(8Z,11Z,14Z)/PGE1)

{[(1S,6R,15R,18R,19S,20R,21R,22R,23S,24R)-3,18,20,22,23,24-hexahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]methyl}-3,8,16-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:3(8Z,11Z,14Z)/PGE1) 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(20:3(8Z,11Z,14Z)/PGE1), in particular, consists of one chain of 8Z,11Z,14Z-eicosatrienoyl at the C-1 position and one chain of Prostaglandin E1 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(PGE1/20:3(8Z,11Z,14Z))

{[(1S,6R,16R,19R,20S,21R,22R,23R,24S,25R)-3,19,21,23,24,25-hexahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3,9,17-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGE1/20:3(8Z,11Z,14Z)) 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(PGE1/20:3(8Z,11Z,14Z)), in particular, consists of one chain of Prostaglandin E1 at the C-1 position and one chain of 8Z,11Z,14Z-eicosatrienoyl 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(20:3(8Z,11Z,14Z)/PGD1)

{[(1S,6R,15S,16S,19R,20R,21R,22R,23S,24R)-3,16,20,22,23,24-hexahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]methyl}-3,8,18-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:3(8Z,11Z,14Z)/PGD1) 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(20:3(8Z,11Z,14Z)/PGD1), in particular, consists of one chain of 8Z,11Z,14Z-eicosatrienoyl at the C-1 position and one chain of Prostaglandin D1 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(PGD1/20:3(8Z,11Z,14Z))

{[(1S,6R,16S,17S,20R,21R,22R,23R,24S,25R)-3,17,21,23,24,25-hexahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3,9,19-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGD1/20:3(8Z,11Z,14Z)) 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(PGD1/20:3(8Z,11Z,14Z)), in particular, consists of one chain of Prostaglandin D1 at the C-1 position and one chain of 8Z,11Z,14Z-eicosatrienoyl 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(5Z,8Z,11Z,14Z)/PGF1alpha)

{[(1S,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,22,23,24-heptahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]methyl}-3,8-dioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:4(5Z,8Z,11Z,14Z)/PGF1alpha) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(20:4(5Z,8Z,11Z,14Z)/PGF1alpha), in particular, consists of one chain of 5Z,8Z,11Z,14Z-eicosatetraenoyl at the C-1 position and one chain of Prostaglandin F1alpha at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(PGF1alpha/20:4(5Z,8Z,11Z,14Z))

{[(1S,6R,16S,17S,19R,20S,21R,22R,23R,24S,25R)-3,17,19,21,23,24,25-heptahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3,9-dioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGF1alpha/20:4(5Z,8Z,11Z,14Z)) 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(PGF1alpha/20:4(5Z,8Z,11Z,14Z)), in particular, consists of one chain of Prostaglandin F1alpha at the C-1 position and one chain of 5Z,8Z,11Z,14Z-eicosatetraenoyl 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)/PGF1alpha)

{[(1S,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,22,23,24-heptahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-{[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]methyl}-3,8-dioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-21-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(20:4(8Z,11Z,14Z,17Z)/PGF1alpha) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(20:4(8Z,11Z,14Z,17Z)/PGF1alpha), in particular, consists of one chain of 8Z,11Z,14Z,17Z-eicosapentaenoyl at the C-1 position and one chain of Prostaglandin F1alpha at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(PGF1alpha/20:4(8Z,11Z,14Z,17Z))

{[(1S,6R,16S,17S,19R,20S,21R,22R,23R,24S,25R)-3,17,19,21,23,24,25-heptahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3,9-dioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-22-yl]oxy}phosphonic acid

C49H84O19P2 (1038.5081774)


PIP(PGF1alpha/20:4(8Z,11Z,14Z,17Z)) 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(PGF1alpha/20:4(8Z,11Z,14Z,17Z)), in particular, consists of one chain of Prostaglandin F1alpha at the C-1 position and one chain of 8Z,11Z,14Z,17Z-eicosapentaenoyl 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.

   

Soyasaponin beta-A

5-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-({9-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)oxane-2-carboxylic acid

C53H82O20 (1038.5399172)


Soyasaponin beta-a is a member of the class of compounds known as triterpene saponins. Triterpene saponins are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Soyasaponin beta-a is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Soyasaponin beta-a can be found in soy bean, which makes soyasaponin beta-a a potential biomarker for the consumption of this food product.

   
   
   
   

Soyasapogenol B base + O-HexA-Pen-dHex, O-C6H7O3

Soyasapogenol B base + O-HexA-Pen-dHex, O-C6H7O3

C53H82O20 (1038.5399172)


Annotation level-3

   

3beta-sulfate ester of gederagenin 28-O-beta-D-glucopyranosyl(1-2)-(beta-D-glucopyranosyl(1-6))-beta-D-glucopyranoside

3beta-sulfate ester of gederagenin 28-O-beta-D-glucopyranosyl(1-2)-(beta-D-glucopyranosyl(1-6))-beta-D-glucopyranoside

C48H78O22S (1038.4705208)


   

methyl ester of 3-O-alpha-L-arabinopyranosyl(1-3)-beta-D-glucuronopyranosyl-21-O-angeloyl-22-O-2-methylbutanoyl-R1-barrigenol-23-oic acid|TR-saponin B

methyl ester of 3-O-alpha-L-arabinopyranosyl(1-3)-beta-D-glucuronopyranosyl-21-O-angeloyl-22-O-2-methylbutanoyl-R1-barrigenol-23-oic acid|TR-saponin B

C53H82O20 (1038.5399172)


   
   

(2alpha,3beta)-23-sulphonyl-2,3-dihydroxyurs-12-en-28-oic acid O-alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl ester

(2alpha,3beta)-23-sulphonyl-2,3-dihydroxyurs-12-en-28-oic acid O-alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl ester

C48H78O22S (1038.4705208)


   

(6S,13S)-6-[O-alpha-L-rhamnopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyloxy]-13-[O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyloxy]cleroda-3,14-diene

(6S,13S)-6-[O-alpha-L-rhamnopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyloxy]-13-[O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyloxy]cleroda-3,14-diene

C49H82O23 (1038.5246622)


   

3beta-O-{alpha-L-arabinopyranosyl-(1->3)-beta-D-glucuronopyranosyl}-16alpha-acetoxy-21beta-{(Z)-2-methylbut-2-enoyloxy}-22alpha-(2-methylbutanoyloxy)-15alpha,23,28-triihydroxyolean-12-ene|rogchaponin R4

3beta-O-{alpha-L-arabinopyranosyl-(1->3)-beta-D-glucuronopyranosyl}-16alpha-acetoxy-21beta-{(Z)-2-methylbut-2-enoyloxy}-22alpha-(2-methylbutanoyloxy)-15alpha,23,28-triihydroxyolean-12-ene|rogchaponin R4

C53H82O20 (1038.5399172)


   

3beta-O-{alpha-L-arabinopyranosyl-(1->3)-beta-D-glucuronopyranosyl}-15alpha,16alpha,21beta-triacetyloxy-22alpha-{(Z)-2-methylbut-2-enoyloxy}-23,28-dihydroxyolean-12-ene|rogchaponin R2

3beta-O-{alpha-L-arabinopyranosyl-(1->3)-beta-D-glucuronopyranosyl}-15alpha,16alpha,21beta-triacetyloxy-22alpha-{(Z)-2-methylbut-2-enoyloxy}-23,28-dihydroxyolean-12-ene|rogchaponin R2

C52H78O21 (1038.5035338)


   
   

aethioside A

3beta-O-alpha-L-rhamnopyranosyl-(1-3)-[alpha-L-rhamnopyranosyl-(1-2)]-beta-D-glucopyranosyl-homo-aro-cholest-5-ene-26-O-beta-D-glucopyranoside

C53H82O20 (1038.5399172)


   

Soyasapogenol B base + O-HexA-Pen-dHex, O-C6H7O3(DDMP)

Soyasapogenol B base + O-HexA-Pen-dHex, O-C6H7O3(DDMP)

C53H82O20 (1038.5399172)


Annotation level-3

   

Mupirocin calcium

Mupirocin calcium

C52H86CaO18 (1038.5439766)


D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents

   

51-hydroxy ciguatoxin CTX3C

51-hydroxy ciguatoxin CTX3C

C57H82O17 (1038.5551722)


A ciguatoxin comprising a sequence of twelve trans-fused six-, seven-, eight- and nine-membered oxacycles and a spiro-fused hydroxytetrahydrofuran ring.

   

PIP(20:3(5Z,8Z,11Z)/PGF2alpha)

PIP(20:3(5Z,8Z,11Z)/PGF2alpha)

C49H84O19P2 (1038.5081774)


   

PIP(PGF2alpha/20:3(5Z,8Z,11Z))

PIP(PGF2alpha/20:3(5Z,8Z,11Z))

C49H84O19P2 (1038.5081774)


   
   
   
   
   

PIP(20:3(5Z,8Z,11Z)/PGE1)

PIP(20:3(5Z,8Z,11Z)/PGE1)

C49H84O19P2 (1038.5081774)


   

PIP(PGE1/20:3(5Z,8Z,11Z))

PIP(PGE1/20:3(5Z,8Z,11Z))

C49H84O19P2 (1038.5081774)


   

PIP(20:3(5Z,8Z,11Z)/PGD1)

PIP(20:3(5Z,8Z,11Z)/PGD1)

C49H84O19P2 (1038.5081774)


   

PIP(PGD1/20:3(5Z,8Z,11Z))

PIP(PGD1/20:3(5Z,8Z,11Z))

C49H84O19P2 (1038.5081774)


   

PIP(20:3(8Z,11Z,14Z)/PGF2alpha)

PIP(20:3(8Z,11Z,14Z)/PGF2alpha)

C49H84O19P2 (1038.5081774)


   

PIP(PGF2alpha/20:3(8Z,11Z,14Z))

PIP(PGF2alpha/20:3(8Z,11Z,14Z))

C49H84O19P2 (1038.5081774)


   

PIP(20:3(8Z,11Z,14Z)/PGE1)

PIP(20:3(8Z,11Z,14Z)/PGE1)

C49H84O19P2 (1038.5081774)


   

PIP(PGE1/20:3(8Z,11Z,14Z))

PIP(PGE1/20:3(8Z,11Z,14Z))

C49H84O19P2 (1038.5081774)


   

PIP(20:3(8Z,11Z,14Z)/PGD1)

PIP(20:3(8Z,11Z,14Z)/PGD1)

C49H84O19P2 (1038.5081774)


   

PIP(PGD1/20:3(8Z,11Z,14Z))

PIP(PGD1/20:3(8Z,11Z,14Z))

C49H84O19P2 (1038.5081774)


   

PIP(20:4(5Z,8Z,11Z,14Z)/PGF1alpha)

PIP(20:4(5Z,8Z,11Z,14Z)/PGF1alpha)

C49H84O19P2 (1038.5081774)


   

PIP(PGF1alpha/20:4(5Z,8Z,11Z,14Z))

PIP(PGF1alpha/20:4(5Z,8Z,11Z,14Z))

C49H84O19P2 (1038.5081774)


   

PIP(20:4(8Z,11Z,14Z,17Z)/PGF1alpha)

PIP(20:4(8Z,11Z,14Z,17Z)/PGF1alpha)

C49H84O19P2 (1038.5081774)


   

PIP(PGF1alpha/20:4(8Z,11Z,14Z,17Z))

PIP(PGF1alpha/20:4(8Z,11Z,14Z,17Z))

C49H84O19P2 (1038.5081774)


   

PIP(20:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

PIP(20:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C49H84O19P2 (1038.5081774)


   

PIP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:1(11Z))

PIP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:1(11Z))

C49H84O19P2 (1038.5081774)


   

PIP(20:2(11Z,14Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

PIP(20:2(11Z,14Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

C49H84O19P2 (1038.5081774)


   

PIP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/20:2(11Z,14Z))

PIP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/20:2(11Z,14Z))

C49H84O19P2 (1038.5081774)


   
   

PIP(44:10)

PIP(22:4_22:6)

C53H84O16P2 (1038.5234324)


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methyl 6-{[7,8-dihydroxy-8a-(hydroxymethyl)-4-(methoxycarbonyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbut-2-enoyl)oxy]-9-[(2-methylbutanoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate

methyl 6-{[7,8-dihydroxy-8a-(hydroxymethyl)-4-(methoxycarbonyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbut-2-enoyl)oxy]-9-[(2-methylbutanoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate

C53H82O20 (1038.5399172)


   

[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17r,18r,20s)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17r,18r,20s)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(2s,4ar,4bs,6as,11as,11br)-2-{[(2r,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-4a,6a,7-trimethyl-1h,2h,3h,4h,4bh,5h,6h,11h,11ah,11bh,12h-indeno[2,1-a]phenanthren-8-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(2s,4ar,4bs,6as,11as,11br)-2-{[(2r,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-4a,6a,7-trimethyl-1h,2h,3h,4h,4bh,5h,6h,11h,11ah,11bh,12h-indeno[2,1-a]phenanthren-8-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C53H82O20 (1038.5399172)


   

2α,23-dihydroxy-3β-sulfoxyolean-12-en-28-oicacid o-α-l-rhamnopyranosyl-(1→4)-o-β-d-glucopyranosyl-(1→6)-β-d-glucopyranosylester sodium salt

NA

C48H78O22S (1038.4705208)


{"Ingredient_id": "HBIN005156","Ingredient_name": "2\u03b1,23-dihydroxy-3\u03b2-sulfoxyolean-12-en-28-oicacid o-\u03b1-l-rhamnopyranosyl-(1\u21924)-o-\u03b2-d-glucopyranosyl-(1\u21926)-\u03b2-d-glucopyranosylester sodium salt","Alias": "NA","Ingredient_formula": "C48H78O22S","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OS(=O)(=O)O)O)C)C)(C)C)O)O)O)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6138","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17r,18r,20r)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17r,18r,20r)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

[(3s,4ar,6ar,6br,8r,8ar,12as,12bs,14ar,14bs)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,12b,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid

[(3s,4ar,6ar,6br,8r,8ar,12as,12bs,14ar,14bs)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,12b,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

(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-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-5-(hydroxymethyl)-1,12,19-trimethyl-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)-18-[(1e,3e,5s,6s)-6-(acetyloxy)-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-5-(hydroxymethyl)-1,12,19-trimethyl-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

C50H74N10O14 (1038.5385704)


   

[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,18r,20s)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,18r,20s)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

[(2r,3s,4r,5r,6s)-6-{[(2r,3r,4s,5s,6r)-2-{[(3s,4r,4ar,6ar,6bs,8r,8as,11r,14ar,14bs)-8-hydroxy-4,8a,11-tris(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy}-5-hydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

[(2r,3s,4r,5r,6s)-6-{[(2r,3r,4s,5s,6r)-2-{[(3s,4r,4ar,6ar,6bs,8r,8as,11r,14ar,14bs)-8-hydroxy-4,8a,11-tris(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy}-5-hydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

[3-(acetyloxy)-4-{[5-(acetyloxy)-3,4-dimethoxyoxan-2-yl]oxy}-5-({6-[3,3b,5,7-tetrakis(acetyloxy)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl}oxy)oxolan-2-yl]methyl acetate

[3-(acetyloxy)-4-{[5-(acetyloxy)-3,4-dimethoxyoxan-2-yl]oxy}-5-({6-[3,3b,5,7-tetrakis(acetyloxy)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl}oxy)oxolan-2-yl]methyl acetate

C53H82O20 (1038.5399172)


   

[(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17s,18r,20r)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

[(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(1s,2s,4s,5r,8r,9r,10s,13s,14r,17s,18r,20r)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

[8a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-2,3-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-4-yl]methoxysulfonic acid

[8a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-2,3-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-4-yl]methoxysulfonic acid

C48H78O22S (1038.4705208)


   

(5r,8s,11r,15s,18s,19s,22r)-18-[(1e,3e,5s,6s)-6-(acetyloxy)-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-5-(hydroxymethyl)-1,12,19-trimethyl-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,15s,18s,19s,22r)-18-[(1e,3e,5s,6s)-6-(acetyloxy)-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-5-(hydroxymethyl)-1,12,19-trimethyl-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

C50H74N10O14 (1038.5385704)


   

methyl (2s,3s,4s,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,7r,8s,8ar,9r,10r,12as,14ar,14br)-7,8-dihydroxy-8a-(hydroxymethyl)-4-(methoxycarbonyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2z)-2-methylbut-2-enoyl]oxy}-9-{[(2r)-2-methylbutanoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylate

methyl (2s,3s,4s,5r,6r)-6-{[(3s,4s,4ar,6ar,6bs,7r,8s,8ar,9r,10r,12as,14ar,14br)-7,8-dihydroxy-8a-(hydroxymethyl)-4-(methoxycarbonyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2z)-2-methylbut-2-enoyl]oxy}-9-{[(2r)-2-methylbutanoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylate

C53H82O20 (1038.5399172)


   

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

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

C48H78O22S (1038.4705208)


   

methyl (2r,3s,4r,5s,6r)-6-{[(3s,4r,4as,6as,6bs,7s,8r,8ar,9s,10s,12as,14as,14bs)-7,8-dihydroxy-8a-(hydroxymethyl)-4-(methoxycarbonyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2z)-2-methylbut-2-enoyl]oxy}-9-{[(2r)-2-methylbutanoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylate

methyl (2r,3s,4r,5s,6r)-6-{[(3s,4r,4as,6as,6bs,7s,8r,8ar,9s,10s,12as,14as,14bs)-7,8-dihydroxy-8a-(hydroxymethyl)-4-(methoxycarbonyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2z)-2-methylbut-2-enoyl]oxy}-9-{[(2r)-2-methylbutanoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylate

C53H82O20 (1038.5399172)


   

[(1s,2r,5s,7s,10r,11r,14r,15s,16s,18r,20s)-18-[(1r)-1-hydroxy-2-methylprop-2-en-1-yl]-7-{[(2r,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,6,10,16-pentamethyl-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-16-yl]oxidanesulfonic acid

[(1s,2r,5s,7s,10r,11r,14r,15s,16s,18r,20s)-18-[(1r)-1-hydroxy-2-methylprop-2-en-1-yl]-7-{[(2r,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,6,10,16-pentamethyl-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-16-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

[(2r,3s,4r,5r)-4,5-dihydroxy-6-{[(2r,3r,4s,5r)-3-hydroxy-6-{[(1s,2r,5r,7s,10r,11r,14r,16s,18s,20s)-16-hydroxy-2,6,6,10,16-pentamethyl-18-[(2r)-3-methylbut-3-en-2-yl]-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-2-(hydroxymethyl)-5-{[(3r,4s,5s,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

[(2r,3s,4r,5r)-4,5-dihydroxy-6-{[(2r,3r,4s,5r)-3-hydroxy-6-{[(1s,2r,5r,7s,10r,11r,14r,16s,18s,20s)-16-hydroxy-2,6,6,10,16-pentamethyl-18-[(2r)-3-methylbut-3-en-2-yl]-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-2-(hydroxymethyl)-5-{[(3r,4s,5s,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

(2e)-n-[(3s,6s,9s,12r,15s,21s,22r)-12-benzyl-5,8,11,14,17-pentahydroxy-6-(c-hydroxycarbonimidoylmethyl)-9-[(1s)-1-hydroxyethyl]-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-19,22-dimethyl-15-(2-methylpropyl)-2,20-dioxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosa-4,7,10,13,16-pentaen-21-yl]-3-{2-[(1z)-pent-1-en-1-yl]phenyl}prop-2-enimidic acid

(2e)-n-[(3s,6s,9s,12r,15s,21s,22r)-12-benzyl-5,8,11,14,17-pentahydroxy-6-(c-hydroxycarbonimidoylmethyl)-9-[(1s)-1-hydroxyethyl]-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-19,22-dimethyl-15-(2-methylpropyl)-2,20-dioxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosa-4,7,10,13,16-pentaen-21-yl]-3-{2-[(1z)-pent-1-en-1-yl]phenyl}prop-2-enimidic acid

C54H70N8O13 (1038.5062090000001)


   

[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(2s,4s,5r,8r,9r,10s,13s,14r,17r,18r,20r)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-{[(2r,3s,4s,5r,6r)-3-hydroxy-6-{[(2s,4s,5r,8r,9r,10s,13s,14r,17r,18r,20r)-2-hydroxy-9,20-bis(hydroxymethyl)-4,5,9,13,20-pentamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-methyl-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

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

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

C48H78O22S (1038.4705208)


   

[(3s,4ar,6ar,6bs,8r,8ar,12as,14ar,14br)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid

[(3s,4ar,6ar,6bs,8r,8ar,12as,14ar,14br)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid

C48H78O22S (1038.4705208)


   

(2r,3r,4s,5s)-2-{[(3s,6r)-6-[(1r,3r,3as,3bs,5s,5as,7s,9as,9br,11ar)-3,3b,5,7-tetrakis(acetyloxy)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl]oxy}-4-(acetyloxy)-5-({[(2s,3r,4s,5r)-4-(acetyloxy)-3,5-dimethoxyoxan-2-yl]oxy}methyl)oxolan-3-yl acetate

(2r,3r,4s,5s)-2-{[(3s,6r)-6-[(1r,3r,3as,3bs,5s,5as,7s,9as,9br,11ar)-3,3b,5,7-tetrakis(acetyloxy)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl]oxy}-4-(acetyloxy)-5-({[(2s,3r,4s,5r)-4-(acetyloxy)-3,5-dimethoxyoxan-2-yl]oxy}methyl)oxolan-3-yl acetate

C53H82O20 (1038.5399172)


   

2-[4-(2-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4a,6a,7-trimethyl-1h,2h,3h,4h,4bh,5h,6h,11h,11ah,11bh,12h-indeno[2,1-a]phenanthren-8-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[4-(2-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4a,6a,7-trimethyl-1h,2h,3h,4h,4bh,5h,6h,11h,11ah,11bh,12h-indeno[2,1-a]phenanthren-8-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C53H82O20 (1038.5399172)


   

[(2s,3s,4r,5r)-5-{[(3s,6r)-6-[(1r,3r,3as,3bs,5s,5as,7s,9as,9br,11ar)-3,3b,5,7-tetrakis(acetyloxy)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl]oxy}-3-(acetyloxy)-4-{[(2s,3r,4s,5r)-5-(acetyloxy)-3,4-dimethoxyoxan-2-yl]oxy}oxolan-2-yl]methyl acetate

[(2s,3s,4r,5r)-5-{[(3s,6r)-6-[(1r,3r,3as,3bs,5s,5as,7s,9as,9br,11ar)-3,3b,5,7-tetrakis(acetyloxy)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl]oxy}-3-(acetyloxy)-4-{[(2s,3r,4s,5r)-5-(acetyloxy)-3,4-dimethoxyoxan-2-yl]oxy}oxolan-2-yl]methyl acetate

C53H82O20 (1038.5399172)


   

4-(acetyloxy)-5-({[4-(acetyloxy)-3,5-dimethoxyoxan-2-yl]oxy}methyl)-2-({6-[3,3b,5,7-tetrakis(acetyloxy)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl}oxy)oxolan-3-yl acetate

4-(acetyloxy)-5-({[4-(acetyloxy)-3,5-dimethoxyoxan-2-yl]oxy}methyl)-2-({6-[3,3b,5,7-tetrakis(acetyloxy)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-2-methylheptan-3-yl}oxy)oxolan-3-yl acetate

C53H82O20 (1038.5399172)


   

18-[6-(acetyloxy)-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-5-(hydroxymethyl)-1,12,19-trimethyl-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

18-[6-(acetyloxy)-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-5-(hydroxymethyl)-1,12,19-trimethyl-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

C50H74N10O14 (1038.5385704)