Exact Mass: 918.4249

Exact Mass Matches: 918.4249

Found 54 metabolites which its exact mass value is equals to given mass value 918.4249, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

28-Galloylglucosylpomolate 3-arabinoside

3,4,5-Trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl 1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

C48H70O17 (918.4613)


28-Galloylglucosylpomolate 3-arabinoside is found in herbs and spices. 28-Galloylglucosylpomolate 3-arabinoside is a constituent of Sanguisorba officinalis (burnet bloodwort). Constituent of Sanguisorba officinalis (burnet bloodwort). 28-Galloylglucosylpomolate 3-arabinoside is found in tea and herbs and spices.

   

PGP(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C44H72O16P2 (918.4295)


PGP(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 6Z,9Z,12Z-octadecatrienoyl at the C-1 position and one chain of Lipoxin A5 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C44H72O16P2 (918.4295)


PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z)) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 6Z,9Z,12Z-octadecatrienoyl 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(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C44H72O16P2 (918.4295)


PGP(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 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(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 9Z,12Z,15Z-octadecatrienoyl at the C-1 position and one chain of Lipoxin A5 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C44H72O16P2 (918.4295)


PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z)) 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(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z)), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 9Z,12Z,15Z-octadecatrienoyl 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).

   
   

Brodiosaponin A

Brodiosaponin A

C44H70O20 (918.446)


   
   
   
   

(3beta,12beta,14beta,17alpha)-3-{[2,6-dideoxy-3-O-methyl-alpha-L-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-8,14,17-trihydroxy-20-oxopregn-5-en-12-yl 4-hydroxybenzoate|3-O-alpha-L-cymaropyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-digitoxopyranosyl qingyangshengenin|wilfoside C

(3beta,12beta,14beta,17alpha)-3-{[2,6-dideoxy-3-O-methyl-alpha-L-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-8,14,17-trihydroxy-20-oxopregn-5-en-12-yl 4-hydroxybenzoate|3-O-alpha-L-cymaropyranosyl-(1->4)-beta-D-oleandropyranosyl-(1->4)-beta-D-digitoxopyranosyl qingyangshengenin|wilfoside C

C48H70O17 (918.4613)


   

3??-[(??-L-Arabinopyranosyl)oxy]-19??-hydroxyurs-12-en-28-oic acid 28-(6-O-galloyl-??-D-glucopyranosyl)ester

3??-[(??-L-Arabinopyranosyl)oxy]-19??-hydroxyurs-12-en-28-oic acid 28-(6-O-galloyl-??-D-glucopyranosyl)ester

C48H70O17 (918.4613)


   

C46H58N6O14_(1S,4R,7S,10S,13S,16S)-10-(4-Methoxybenzyl)-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-18,20,23(31),24,26,32-hexaen-24-yl beta-D-glucopyranoside

NCGC00384826-01_C46H58N6O14_(1S,4R,7S,10S,13S,16S)-10-(4-Methoxybenzyl)-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-18,20,23(31),24,26,32-hexaen-24-yl beta-D-glucopyranoside

C46H58N6O14 (918.4011)


   

10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-18,20,23(31),24,26,32-hexaene-2,5,8,11,14,30-hexone

10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-18,20,23(31),24,26,32-hexaene-2,5,8,11,14,30-hexone

C46H58N6O14 (918.4011)


   

28-Galloylglucosylpomolate 3-arabinoside

3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyphenyl)carbonyloxy]methyl}oxan-2-yl 1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

C48H70O17 (918.4613)


   
   

PGP(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

PGP(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C44H72O16P2 (918.4295)


   

PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z))

PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(6Z,9Z,12Z))

C44H72O16P2 (918.4295)


   

PGP(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

PGP(18:3(9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C44H72O16P2 (918.4295)


   

PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z))

PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z))

C44H72O16P2 (918.4295)


   

[3-[[3-[[3-[(4E,7Z)-hexadeca-4,7-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[3-[[3-[[3-[(4E,7Z)-hexadeca-4,7-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C45H76O15P2 (918.4659)


   

[3-[[3-[[3-[(5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (11Z,14Z)-icosa-11,14-dienoate

[3-[[3-[[3-[(5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (11Z,14Z)-icosa-11,14-dienoate

C45H76O15P2 (918.4659)


   

[3-[[3-[[3-[(9Z,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

[3-[[3-[[3-[(9Z,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

C45H76O15P2 (918.4659)


   

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (11E,13E,15E)-octadeca-11,13,15-trienoate

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (11E,13E,15E)-octadeca-11,13,15-trienoate

C45H76O15P2 (918.4659)


   

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-(2-hydroxy-3-tetradecanoyloxypropoxy)phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (7E,9E,11E,13E,15Z,17E,19E)-docosa-7,9,11,13,15,17,19-heptaenoate

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-(2-hydroxy-3-tetradecanoyloxypropoxy)phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (7E,9E,11E,13E,15Z,17E,19E)-docosa-7,9,11,13,15,17,19-heptaenoate

C45H76O15P2 (918.4659)


   

[3-[[3-[[3-[(Z)-hexadec-7-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoate

[3-[[3-[[3-[(Z)-hexadec-7-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoate

C45H76O15P2 (918.4659)


   

[3-[[3-[[3-[(7Z,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate

[3-[[3-[[3-[(7Z,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate

C45H76O15P2 (918.4659)


   

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C45H76O15P2 (918.4659)


   

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (10E,12E)-octadeca-10,12-dienoate

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (10E,12E)-octadeca-10,12-dienoate

C45H76O15P2 (918.4659)


   
   
   
   

(2s)-n-[(2s,5s,8s,11r,12s,15z,18s,21r)-2-benzyl-15-ethylidene-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-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]-2-[(1-hydroxybutylidene)amino]pentanediimidic acid

(2s)-n-[(2s,5s,8s,11r,12s,15z,18s,21r)-2-benzyl-15-ethylidene-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-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]-2-[(1-hydroxybutylidene)amino]pentanediimidic acid

C46H62N8O12 (918.4487)


   

3β-[(α-l-arabinopyranosyl)oxy]-19α-hydroxy-urs-12-en-28-oicacid 28-(6-o-galloyl-β-d-glucopyranosyl)ester

NA

C48H70O17 (918.4613)


{"Ingredient_id": "HBIN008169","Ingredient_name": "3\u03b2-[(\u03b1-l-arabinopyranosyl)oxy]-19\u03b1-hydroxy-urs-12-en-28-oicacid 28-(6-o-galloyl-\u03b2-d-glucopyranosyl)ester","Alias": "NA","Ingredient_formula": "C48H70O17","Ingredient_Smile": "CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1(C)O)C)C(=O)OC7C(C(C(C(O7)COC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14353","TCMID_id": "1585","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(3s)-3-[({[(1s,2r)-1-{[(1s)-5-amino-1-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}pentyl]-c-hydroxycarbonimidoyl}-2-hydroxypropyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-3-{[(2s)-2-{[(2s)-2-{[(2s)-2,6-diamino-1-hydroxyhexylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxypropylidene]amino}propanoic acid

(3s)-3-[({[(1s,2r)-1-{[(1s)-5-amino-1-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}pentyl]-c-hydroxycarbonimidoyl}-2-hydroxypropyl]-c-hydroxycarbonimidoyl}methyl)-c-hydroxycarbonimidoyl]-3-{[(2s)-2-{[(2s)-2-{[(2s)-2,6-diamino-1-hydroxyhexylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxypropylidene]amino}propanoic acid

C40H62N12O13 (918.4559)


   

14'-{[5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,10',16'-tetrol

14'-{[5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,10',16'-tetrol

C44H70O20 (918.446)


   

(1's,2s,2's,3s,4s,4's,5r,7's,8'r,9's,10'r,12's,13'r,14'r,16'r)-14'-{[(2r,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,10',16'-tetrol

(1's,2s,2's,3s,4s,4's,5r,7's,8'r,9's,10'r,12's,13'r,14'r,16'r)-14'-{[(2r,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,10',16'-tetrol

C44H70O20 (918.446)


   

(1s,4r,7s,10s,13s,16s)-2,5,11-trihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

(1s,4r,7s,10s,13s,16s)-2,5,11-trihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

C46H58N6O14 (918.4011)


   

(2s)-n-[(2r,5s,8r,11s,12s,15z,18s,21s)-2-benzyl-15-ethylidene-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-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]-2-[(1-hydroxybutylidene)amino]pentanediimidic acid

(2s)-n-[(2r,5s,8r,11s,12s,15z,18s,21s)-2-benzyl-15-ethylidene-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-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]-2-[(1-hydroxybutylidene)amino]pentanediimidic acid

C46H62N8O12 (918.4487)


   

3-{[({1-[(5-amino-1-{[1-carboxy-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}pentyl)-c-hydroxycarbonimidoyl]-2-hydroxypropyl}-c-hydroxycarbonimidoyl)methyl]-c-hydroxycarbonimidoyl}-3-{[2-({2-[(2,6-diamino-1-hydroxyhexylidene)amino]-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxypropylidene]amino}propanoic acid

3-{[({1-[(5-amino-1-{[1-carboxy-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}pentyl)-c-hydroxycarbonimidoyl]-2-hydroxypropyl}-c-hydroxycarbonimidoyl)methyl]-c-hydroxycarbonimidoyl}-3-{[2-({2-[(2,6-diamino-1-hydroxyhexylidene)amino]-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene}amino)-1-hydroxypropylidene]amino}propanoic acid

C40H62N12O13 (918.4559)


   

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

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

C48H70O17 (918.4613)


   

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

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

C48H70O17 (918.4613)


   

(1'r,2s,2's,3s,4s,4's,5r,7's,8'r,9's,10'r,12's,13'r,14'r,16'r)-14'-{[(2r,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,10',16'-tetrol

(1'r,2s,2's,3s,4s,4's,5r,7's,8'r,9's,10'r,12's,13'r,14'r,16'r)-14'-{[(2r,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,10',16'-tetrol

C44H70O20 (918.446)


   

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl (1r,2r,4as,6as,6br,8ar,10s,12ar,12br,14bs)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl (1r,2r,4as,6as,6br,8ar,10s,12ar,12br,14bs)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C48H70O17 (918.4613)


   

1-acetyl-1,3a,3b-trihydroxy-7-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-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 4-hydroxybenzoate

1-acetyl-1,3a,3b-trihydroxy-7-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-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 4-hydroxybenzoate

C48H70O17 (918.4613)


   

n-{2-benzyl-15-ethylidene-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-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}-2-[(1-hydroxybutylidene)amino]pentanediimidic acid

n-{2-benzyl-15-ethylidene-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-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}-2-[(1-hydroxybutylidene)amino]pentanediimidic acid

C46H62N8O12 (918.4487)


   

(1s,4r,7s,10s,13s,16s)-2,5,11,31-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,28-hexamethyl-23-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,6,9,12,15,28-hexaazatetracyclo[14.11.2.2¹⁸,²¹.1²²,²⁶]dotriaconta-2,5,11,18,20,22(30),23,25,31-nonaene-8,14,29-trione

(1s,4r,7s,10s,13s,16s)-2,5,11,31-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,28-hexamethyl-23-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,6,9,12,15,28-hexaazatetracyclo[14.11.2.2¹⁸,²¹.1²²,²⁶]dotriaconta-2,5,11,18,20,22(30),23,25,31-nonaene-8,14,29-trione

C46H58N6O14 (918.4011)


   

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

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

C48H70O17 (918.4613)


   

(2r)-2-amino-n-[(2r,3r,4s,5r,6r)-5-amino-2-{[(2s,3r,4r,5r,6s)-6-{[(2r,3r,4r,5r)-2-{[(2s,3r,4s,5s)-5-[4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)phenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-3,5-dihydroxy-6-methylideneoxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-6-methyloxan-3-yl]propanimidic acid

(2r)-2-amino-n-[(2r,3r,4s,5r,6r)-5-amino-2-{[(2s,3r,4r,5r,6s)-6-{[(2r,3r,4r,5r)-2-{[(2s,3r,4s,5s)-5-[4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)phenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-3,5-dihydroxy-6-methylideneoxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-6-methyloxan-3-yl]propanimidic acid

C40H66N6O18 (918.4433)


   

2-amino-n-{5-amino-2-[(6-{[2-({5-[4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)phenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-3,5-dihydroxy-6-methylideneoxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-6-methyloxan-3-yl}propanimidic acid

2-amino-n-{5-amino-2-[(6-{[2-({5-[4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)phenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-3,5-dihydroxy-6-methylideneoxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-6-methyloxan-3-yl}propanimidic acid

C40H66N6O18 (918.4433)


   

2,5,11-trihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

2,5,11-trihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,14,30-trione

C46H58N6O14 (918.4011)


   

2,5,11,31-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,28-hexamethyl-23-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,6,9,12,15,28-hexaazatetracyclo[14.11.2.2¹⁸,²¹.1²²,²⁶]dotriaconta-2,5,11,18,20,22(30),23,25,31-nonaene-8,14,29-trione

2,5,11,31-tetrahydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,28-hexamethyl-23-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,6,9,12,15,28-hexaazatetracyclo[14.11.2.2¹⁸,²¹.1²²,²⁶]dotriaconta-2,5,11,18,20,22(30),23,25,31-nonaene-8,14,29-trione

C46H58N6O14 (918.4011)