Exact Mass: 1018.5500872

Exact Mass Matches: 1018.5500872

Found 52 metabolites which its exact mass value is equals to given mass value 1018.5500872, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

PGP(i-24:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

[(2S)-3-({[(2R)-2-{[(5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-3-[(22-methyltricosanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C52H92O15P2 (1018.5911142)


PGP(i-24:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(i-24:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of one 22-methyltricosanoyl at the C-1 position and one chain of Resolvin D5 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-24:0)

[(2S)-3-({[(2R)-3-{[(5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-2-[(22-methyltricosanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C52H92O15P2 (1018.5911142)


PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-24:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-24:0), in particular, consists of one chain of one Resolvin D5 at the C-1 position and one chain of 22-methyltricosanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-24:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

[(2S)-3-({[(2R)-2-{[(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-3-[(22-methyltricosanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C52H92O15P2 (1018.5911142)


PGP(i-24:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(i-24:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of one 22-methyltricosanoyl at the C-1 position and one chain of Protectin DX at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-24:0)

[(2S)-3-({[(2R)-3-{[(4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-2-[(22-methyltricosanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C52H92O15P2 (1018.5911142)


PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-24:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-24:0), in particular, consists of one chain of one Protectin DX at the C-1 position and one chain of 22-methyltricosanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PIP(18:0/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-[(octadecanoyloxy)methyl]-3,8-dioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-21-yl]oxy}phosphonic acid

C47H88O19P2 (1018.5394758000001)


PIP(18:0/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(18:0/PGF1alpha), in particular, consists of one chain of octadecanoyl 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/18:0)

{[(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-(octadecanoyloxy)-3,9-dioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-22-yl]oxy}phosphonic acid

C47H88O19P2 (1018.5394758000001)


PIP(PGF1alpha/18:0) 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(PGF1alpha/18:0), in particular, consists of one chain of Prostaglandin F1alpha at the C-1 position and one chain of octadecanoyl 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.

   
   
   
   
   

12-O-cinnamoyl-20-O-acetyl-(20S)-pregn-6-ene-3beta,5alpha,8beta,12beta,14beta,17beta,20-heptanol 3-O-beta-D-thevetopyranosyl-(1->4)-beta-D-cymaropyranosyl-(1->4)-beta-D-cymaropyranoside|mucronatoside H

12-O-cinnamoyl-20-O-acetyl-(20S)-pregn-6-ene-3beta,5alpha,8beta,12beta,14beta,17beta,20-heptanol 3-O-beta-D-thevetopyranosyl-(1->4)-beta-D-cymaropyranosyl-(1->4)-beta-D-cymaropyranoside|mucronatoside H

C53H78O19 (1018.5137038)


   

15-O-benzoyl-16-O-isovaleryl-pregnan-20-one-3beta,8beta,14beta,15beta,16alpha-pentaol 3-O-6-deoxy-3-O-methyl-beta-allopyranosyl-(1->4)-beta-oleandropyranosyl-(1->4)-beta-cymaropyranoside|penicilloside E

15-O-benzoyl-16-O-isovaleryl-pregnan-20-one-3beta,8beta,14beta,15beta,16alpha-pentaol 3-O-6-deoxy-3-O-methyl-beta-allopyranosyl-(1->4)-beta-oleandropyranosyl-(1->4)-beta-cymaropyranoside|penicilloside E

C54H82O18 (1018.5500872)


   
   

26-O-beta-D-glucopyranosylfurost-5-ene-1beta,3beta,22xi,26-tetrol 1-O-alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-xylopyranosyl-(1->3)-alpha-L-arabinopyranoside

26-O-beta-D-glucopyranosylfurost-5-ene-1beta,3beta,22xi,26-tetrol 1-O-alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-xylopyranosyl-(1->3)-alpha-L-arabinopyranoside

C50H82O21 (1018.5348322)


   
   
   

Asparanin B5|Asparanin B6

Asparanin B5|Asparanin B6

C50H82O21 (1018.5348322)


   

(11S)-jalapinolic acid 11-O-alpha-L-rhamnopyranosyl-(1-3)-O-[alpha-L-rhamnopyranosyl-(1-4)]-O-alpha-L-rhamnopyranosyl-(1-4)-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside|simonic acid A

(11S)-jalapinolic acid 11-O-alpha-L-rhamnopyranosyl-(1-3)-O-[alpha-L-rhamnopyranosyl-(1-4)]-O-alpha-L-rhamnopyranosyl-(1-4)-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside|simonic acid A

C46H82O24 (1018.5195772000001)


   

3beta-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-xylopyranosyl-6alpha-O-beta-D-xylopyranosyl-16beta-O-beta-D-xylopyranosyl-22-hopane|glinuside I

3beta-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-xylopyranosyl-6alpha-O-beta-D-xylopyranosyl-16beta-O-beta-D-xylopyranosyl-22-hopane|glinuside I

C51H86O20 (1018.5712156)


   

Tigogenin 3-O-alpha-L-rhamnopyranosyl(1->4)-beta-D-galactopyranosyl(1->3) -beta-D-xylopyranosyl(1->2)] -beta-D-glucopyranoside

(25R)-5alpha-spirostan-3beta-yl-alpha-L-rhamnopyranosyl(1->4)-beta-D-galactopyranosyl(1->3) -beta-D-xylopyranosyl(1->2)] -beta-D-glucopyranoside

C50H82O21 (1018.5348322)


   

PGP(i-24:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

PGP(i-24:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

C52H92O15P2 (1018.5911142)


   

PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-24:0)

PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-24:0)

C52H92O15P2 (1018.5911142)


   

PGP(i-24:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

PGP(i-24:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

C52H92O15P2 (1018.5911142)


   

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-24:0)

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-24:0)

C52H92O15P2 (1018.5911142)


   
   
   
   
   

6-acetyl-14-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-9-[(2-methylbutanoyl)oxy]-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-8-yl benzoate

6-acetyl-14-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-9-[(2-methylbutanoyl)oxy]-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-8-yl benzoate

C53H78O19 (1018.5137038)


   

2-[(4,5-dihydroxy-2-{[3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

2-[(4,5-dihydroxy-2-{[3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

C51H86O20 (1018.5712156)


   

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

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

C50H82O21 (1018.5348322)


   

11-{[3-({3,4-dihydroxy-5-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoic acid

11-{[3-({3,4-dihydroxy-5-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoic acid

C46H82O24 (1018.5195772000001)


   

(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5s)-5-hydroxy-2-{[(1s,2s,4s,6s,7s,8r,9s,12s,13r,14r,16r)-16-hydroxy-6,7,9,13-tetramethyl-6-[(3r)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5s)-5-hydroxy-2-{[(1s,2s,4s,6s,7s,8r,9s,12s,13r,14r,16r)-16-hydroxy-6,7,9,13-tetramethyl-6-[(3r)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C50H82O21 (1018.5348322)


   

(1r,2s,3r,3as,3bs,7s,9as,11ar)-1-acetyl-7-{[(2r,4r,5r)-5-{[(2s,4r,5r)-5-{[(2s,4s,5r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-2-[(3-methylbutanoyl)oxy]-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl benzoate

(1r,2s,3r,3as,3bs,7s,9as,11ar)-1-acetyl-7-{[(2r,4r,5r)-5-{[(2s,4r,5r)-5-{[(2s,4s,5r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-2-[(3-methylbutanoyl)oxy]-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl benzoate

C54H82O18 (1018.5500872)


   

asparanin b5

NA

C50H82O21 (1018.5348322)


{"Ingredient_id": "HBIN017109","Ingredient_name": "asparanin b5","Alias": "NA","Ingredient_formula": "C50H82O21","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(CO8)OC9C(C(C(C(O9)C)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)O)C)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1873","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(11s)-11-{[(2r,3r,4s,5s,6r)-3-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6s)-3-hydroxy-6-methyl-4,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecanoic acid

(11s)-11-{[(2r,3r,4s,5s,6r)-3-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6s)-3-hydroxy-6-methyl-4,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecanoic acid

C46H82O24 (1018.5195772000001)


   

(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5r)-2-{[(3r,3as,4s,5ar,5br,7s,7ar,9s,11ar,11br,13ar,13br)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy})-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5r)-2-{[(3r,3as,4s,5ar,5br,7s,7ar,9s,11ar,11br,13ar,13br)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy})-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C51H86O20 (1018.5712156)


   

(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-methyl-6-{[(1s,3r,4s,5s,6r,8s,10r,11s,12s,13r,15r,17s,29r,30s,31s,33r)-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-{[(2e)-2-methylbut-2-enoyl]oxy}-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0³,⁸.0¹⁰,¹⁵]tritriacontan-30-yl]oxy}oxan-3-yl (2e)-2-methylbut-2-enoate

(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-methyl-6-{[(1s,3r,4s,5s,6r,8s,10r,11s,12s,13r,15r,17s,29r,30s,31s,33r)-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-{[(2e)-2-methylbut-2-enoyl]oxy}-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0³,⁸.0¹⁰,¹⁵]tritriacontan-30-yl]oxy}oxan-3-yl (2e)-2-methylbut-2-enoate

C50H82O21 (1018.5348322)


   

3-{[2,5-dibenzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyoctylidene)amino]propanoic acid

3-{[2,5-dibenzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyoctylidene)amino]propanoic acid

C51H74N10O12 (1018.5487404)


   

11-[(3-{[3,4-dihydroxy-5-({3-hydroxy-6-methyl-4,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]hexadecanoic acid

11-[(3-{[3,4-dihydroxy-5-({3-hydroxy-6-methyl-4,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]hexadecanoic acid

C46H82O24 (1018.5195772000001)


   

2-[(5-hydroxy-2-{[16-hydroxy-6,7,9,13-tetramethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

2-[(5-hydroxy-2-{[16-hydroxy-6,7,9,13-tetramethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-14-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

C50H82O21 (1018.5348322)


   

(11s)-11-{[(2r,3r,4s,5r,6r)-3-{[(2s,3r,4r,5r,6s)-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6s)-3-hydroxy-6-methyl-4-{[(2s,3r,4s,5r,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}-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoic acid

(11s)-11-{[(2r,3r,4s,5r,6r)-3-{[(2s,3r,4r,5r,6s)-3,4-dihydroxy-5-{[(2s,3r,4s,5s,6s)-3-hydroxy-6-methyl-4-{[(2s,3r,4s,5r,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}-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoic acid

C46H82O24 (1018.5195772000001)


   

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

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

C53H78O19 (1018.5137038)


   

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

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

C50H82O21 (1018.5348322)


   

(1s,3r,6r,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-{[(2r,4r,5r,6r)-5-{[(2s,3r,4s,5r,6r)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-9-{[(2r)-2-methylbutanoyl]oxy}-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-8-yl benzoate

(1s,3r,6r,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-{[(2r,4r,5r,6r)-5-{[(2s,3r,4s,5r,6r)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-9-{[(2r)-2-methylbutanoyl]oxy}-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-8-yl benzoate

C53H78O19 (1018.5137038)


   

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

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

C50H82O21 (1018.5348322)


   

4,5-dihydroxy-2-methyl-6-{[4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-[(2-methylbut-2-enoyl)oxy]-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0³,⁸.0¹⁰,¹⁵]tritriacontan-30-yl]oxy}oxan-3-yl 2-methylbut-2-enoate

4,5-dihydroxy-2-methyl-6-{[4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-33-[(2-methylbut-2-enoyl)oxy]-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0³,⁸.0¹⁰,¹⁵]tritriacontan-30-yl]oxy}oxan-3-yl 2-methylbut-2-enoate

C50H82O21 (1018.5348322)


   

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

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

C50H82O21 (1018.5348322)


   

(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5r)-2-{[(3s,3as,4s,5ar,5br,7s,7ar,9s,11ar,11br,13ar,13br)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy})-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5r)-2-{[(3s,3as,4s,5ar,5br,7s,7ar,9s,11ar,11br,13ar,13br)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy})-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C51H86O20 (1018.5712156)


   

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

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

C53H78O19 (1018.5137038)


   

(11s)-11-{[(2r,3r,4s,5r,6r)-3-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-4-hydroxy-6-methyl-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}-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoic acid

(11s)-11-{[(2r,3r,4s,5r,6r)-3-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-4-hydroxy-6-methyl-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}-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoic acid

C46H82O24 (1018.5195772000001)