Exact Mass: 532.2439

Exact Mass Matches: 532.2439

Found 147 metabolites which its exact mass value is equals to given mass value 532.2439, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PA(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

[(2R)-3-(acetyloxy)-2-{[(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437)


PA(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Leukotriene B4 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0)

[(2R)-2-(acetyloxy)-3-{[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437)


PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0), in particular, consists of one chain of one Leukotriene B4 at the C-1 position and one chain of acetyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

[(2R)-3-(acetyloxy)-2-{[(5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437)


PA(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 5(S),15(S)-Dihydroxyeicosatetraenoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0)

[(2R)-2-(acetyloxy)-3-{[(5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437)


PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0), in particular, consists of one chain of one 5(S),15(S)-Dihydroxyeicosatetraenoyl at the C-1 position and one chain of acetyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0)

[(2R)-2-(acetyloxy)-3-{[(5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxy}propoxy]phosphonic acid

C25H41O10P (532.2437)


PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0), in particular, consists of one chain of one 5,6-Dihydroxyeicosatetraenoyl at the C-1 position and one chain of acetyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

Zizyvoside I

Zizyvoside I

C25H40O12 (532.252)


   

bistratamide F

bistratamide F

C25H36N6O5S (532.2468)


A homodetic cyclic peptide that consists of L-threonine and L-valine and L-serine as the amino acid residues cyclised via amide bonds. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line

   

(9R)-2beta,9-dihydroxymegastigma-4,7-dien-3-one 9-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside

(9R)-2beta,9-dihydroxymegastigma-4,7-dien-3-one 9-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside

C25H40O12 (532.252)


   

(6S,7R,Ra)-3-phenylacrylic acid 2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c]cycloocten-1-yl ester|neglschisandrin A

(6S,7R,Ra)-3-phenylacrylic acid 2,3,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c]cycloocten-1-yl ester|neglschisandrin A

C32H36O7 (532.2461)


   

Isomorellinol

Isomorellinol

C32H36O7 (532.2461)


   

(6R,9R)-3-oxo-alpha-ionol-9-O-beta-D-glucopyranosyl(1->2)-beta-D-glucopyranoside

(6R,9R)-3-oxo-alpha-ionol-9-O-beta-D-glucopyranosyl(1->2)-beta-D-glucopyranoside

C25H40O12 (532.252)


   

aspergillide C|aspergillipeptide C

aspergillide C|aspergillipeptide C

C26H36N4O8 (532.2533)


   
   
   

Ala Ser Asn Asp Leu

Ala Ser Asn Asp Leu

C21H36N6O10 (532.2493)


   

Ala Ala Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H32N6O5 (532.2434)


   

Ala Trp Ala Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H32N6O5 (532.2434)


   

Ala Trp Trp Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C28H32N6O5 (532.2434)


   

Cys Lys Pro Trp

(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2R)-2-amino-3-sulfanylpropanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Cys Lys Trp Pro

(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2R)-2-amino-3-sulfanylpropanamido]hexanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C25H36N6O5S (532.2468)


   

Cys Pro Lys Trp

(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Cys Pro Trp Lys

(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]hexanoic acid

C25H36N6O5S (532.2468)


   

Cys Trp Lys Pro

(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]hexanoyl]pyrrolidine-2-carboxylic acid

C25H36N6O5S (532.2468)


   

Cys Trp Pro Lys

(2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}hexanoic acid

C25H36N6O5S (532.2468)


   

Asp Gly Arg Trp

(3S)-3-amino-3-[({[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]propanoic acid

C23H32N8O7 (532.2394)


   

Asp Gly Trp Arg

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C23H32N8O7 (532.2394)


   

Asp Arg Gly Trp

(3S)-3-amino-3-{[(1S)-4-carbamimidamido-1-[({[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}propanoic acid

C23H32N8O7 (532.2394)


   

Asp Arg Trp Gly

(3S)-3-amino-3-{[(1S)-4-carbamimidamido-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}propanoic acid

C23H32N8O7 (532.2394)


   

Asp Trp Gly Arg

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-5-carbamimidamidopentanoic acid

C23H32N8O7 (532.2394)


   

Asp Trp Arg Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[(carboxymethyl)carbamoyl]butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C23H32N8O7 (532.2394)


   

Glu Glu Lys Gln

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]hexanamido]-4-carbamoylbutanoic acid

C21H36N6O10 (532.2493)


   

Glu Glu Gln Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]hexanoic acid

C21H36N6O10 (532.2493)


   

Glu Lys Glu Gln

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-carboxybutanamido]hexanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C21H36N6O10 (532.2493)


   

Glu Lys Gln Glu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-carboxybutanamido]hexanamido]-4-carbamoylbutanamido]pentanedioic acid

C21H36N6O10 (532.2493)


   

Glu Gln Glu Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]hexanoic acid

C21H36N6O10 (532.2493)


   

Glu Gln Lys Glu

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]hexanamido]pentanedioic acid

C21H36N6O10 (532.2493)


   

Phe His Met Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid

C25H36N6O5S (532.2468)


   

Phe His Val Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O5S (532.2468)


   

Phe Met His Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanoic acid

C25H36N6O5S (532.2468)


   

Phe Met Val His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Phe Val His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O5S (532.2468)


   

Phe Val Met His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Gly Asp Arg Trp

(3S)-3-(2-aminoacetamido)-3-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}propanoic acid

C23H32N8O7 (532.2394)


   

Gly Asp Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C23H32N8O7 (532.2394)


   

Gly Arg Asp Trp

(3S)-3-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C23H32N8O7 (532.2394)


   

Gly Arg Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H32N8O7 (532.2394)


   

Gly Trp Asp Arg

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

C23H32N8O7 (532.2394)


   

Gly Trp Arg Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]butanedioic acid

C23H32N8O7 (532.2394)


   

His Phe Met Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid

C25H36N6O5S (532.2468)


   

His Phe Val Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O5S (532.2468)


   

His Met Phe Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-methylbutanoic acid

C25H36N6O5S (532.2468)


   

His Met Val Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-phenylpropanoic acid

C25H36N6O5S (532.2468)


   

His Val Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O5S (532.2468)


   

His Val Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C25H36N6O5S (532.2468)


   

Lys Cys Pro Trp

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Lys Cys Trp Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C25H36N6O5S (532.2468)


   

Lys Glu Glu Gln

(4S)-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2,6-diaminohexanamido]butanoic acid

C21H36N6O10 (532.2493)


   

Lys Glu Gln Glu

(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-4-carboxy-2-[(2S)-2,6-diaminohexanamido]butanamido]butanamido]pentanedioic acid

C21H36N6O10 (532.2493)


   

Lys Pro Cys Trp

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Lys Pro Trp Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C25H36N6O5S (532.2468)


   

Lys Gln Glu Glu

(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2,6-diaminohexanamido]butanamido]-4-carboxybutanamido]pentanedioic acid

C21H36N6O10 (532.2493)


   

Lys Trp Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C25H36N6O5S (532.2468)


   

Lys Trp Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C25H36N6O5S (532.2468)


   

Met Phe His Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanoic acid

C25H36N6O5S (532.2468)


   

Met Phe Val His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Met His Phe Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-methylbutanoic acid

C25H36N6O5S (532.2468)


   

Met His Val Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]-3-phenylpropanoic acid

C25H36N6O5S (532.2468)


   

Met Val Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Met Val His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C25H36N6O5S (532.2468)


   

Pro Cys Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Pro Cys Trp Lys

(2S)-6-amino-2-[(2S)-3-(1H-indol-3-yl)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]hexanoic acid

C25H36N6O5S (532.2468)


   

Pro Lys Cys Trp

(2S)-2-[(2R)-2-[(2S)-6-amino-2-[(2S)-pyrrolidin-2-ylformamido]hexanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Pro Lys Trp Cys

(2R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-pyrrolidin-2-ylformamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C25H36N6O5S (532.2468)


   

Pro Trp Cys Lys

(2S)-6-amino-2-[(2R)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]hexanoic acid

C25H36N6O5S (532.2468)


   

Pro Trp Lys Cys

(2R)-2-[(2S)-6-amino-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]hexanamido]-3-sulfanylpropanoic acid

C25H36N6O5S (532.2468)


   

Gln Glu Glu Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carboxybutanamido]hexanoic acid

C21H36N6O10 (532.2493)


   

Gln Glu Lys Glu

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]hexanamido]pentanedioic acid

C21H36N6O10 (532.2493)


   

Gln Lys Glu Glu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-carbamoylbutanamido]hexanamido]-4-carboxybutanamido]pentanedioic acid

C21H36N6O10 (532.2493)


   

Arg Asp Gly Trp

(3S)-3-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-[({[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C23H32N8O7 (532.2394)


   

Arg Asp Trp Gly

(3S)-3-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C23H32N8O7 (532.2394)


   

Arg Gly Asp Trp

(3S)-3-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C23H32N8O7 (532.2394)


   

Arg Gly Trp Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H32N8O7 (532.2394)


   

Arg Trp Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C23H32N8O7 (532.2394)


   

Arg Trp Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]acetamido}butanedioic acid

C23H32N8O7 (532.2394)


   

Val Phe His Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O5S (532.2468)


   

Val Phe Met His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Val His Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C25H36N6O5S (532.2468)


   

Val His Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C25H36N6O5S (532.2468)


   

Val Met Phe His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C25H36N6O5S (532.2468)


   

Val Met His Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C25H36N6O5S (532.2468)


   

Trp Ala Ala Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H32N6O5 (532.2434)


   

Trp Ala Trp Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C28H32N6O5 (532.2434)


   

Trp Cys Lys Pro

(2S)-1-[(2S)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]hexanoyl]pyrrolidine-2-carboxylic acid

C25H36N6O5S (532.2468)


   

Trp Cys Pro Lys

(2S)-6-amino-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}hexanoic acid

C25H36N6O5S (532.2468)


   

Trp Asp Gly Arg

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]acetamido}-5-carbamimidamidopentanoic acid

C23H32N8O7 (532.2394)


   

Trp Asp Arg Gly

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-4-carbamimidamido-1-[(carboxymethyl)carbamoyl]butyl]carbamoyl}propanoic acid

C23H32N8O7 (532.2394)


   

Trp Gly Asp Arg

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

C23H32N8O7 (532.2394)


   

Trp Gly Arg Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-5-carbamimidamidopentanamido]butanedioic acid

C23H32N8O7 (532.2394)


   

Trp Lys Cys Pro

(2S)-1-[(2R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C25H36N6O5S (532.2468)


   

Trp Lys Pro Cys

(2R)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C25H36N6O5S (532.2468)


   

Trp Pro Cys Lys

(2S)-6-amino-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]hexanoic acid

C25H36N6O5S (532.2468)


   

Trp Pro Lys Cys

(2R)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-sulfanylpropanoic acid

C25H36N6O5S (532.2468)


   

Trp Arg Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C23H32N8O7 (532.2394)


   

Trp Arg Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]acetamido}butanedioic acid

C23H32N8O7 (532.2394)


   

Trp Trp Ala Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]propanoic acid

C28H32N6O5 (532.2434)


   

Nickel, dichlorobis(tributylphosphine)-

Nickel, dichlorobis(tributylphosphine)-

C24H54Cl2NiP2 (532.2431)


   

Ametantrone acetate

Ametantrone acetate

C26H36N4O8 (532.2533)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000970 - Antineoplastic Agents

   

2-((2-((1-(2-(Dimethylamino)acetyl)-5-methoxyindolin-6-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-6-fluoro-N-methylbenzamide

2-((2-((1-(2-(Dimethylamino)acetyl)-5-methoxyindolin-6-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-6-fluoro-N-methylbenzamide

C27H29FN8O3 (532.2347)


   

(2R,6S)-2-amino-6-[[(4R)-4-[[(2S)-2-aminopropanoyl]amino]-4-carboxybutanoyl]amino]-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid

(2R,6S)-2-amino-6-[[(4R)-4-[[(2S)-2-aminopropanoyl]amino]-4-carboxybutanoyl]amino]-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid

C21H36N6O10 (532.2493)


   

methyl (2S,3R,4S)-3-ethyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

methyl (2S,3R,4S)-3-ethyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

C27H36N2O9 (532.2421)


   

PA(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

PA(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

C25H41O10P (532.2437)


   

PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0)

PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0)

C25H41O10P (532.2437)


   

PA(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

PA(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

C25H41O10P (532.2437)


   

PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0)

PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0)

C25H41O10P (532.2437)


   

PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0)

PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0)

C25H41O10P (532.2437)


   

2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenylphenyl)methyl]acetamide

C31H33FN2O5 (532.2373)


   

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C25H41O10P (532.2437)


   

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C25H41O10P (532.2437)


   
   
   
   

ST 19:0;O6;GlcA

ST 19:0;O6;GlcA

C25H40O12 (532.252)


   

ST 19:1;O7;Hex

ST 19:1;O7;Hex

C25H40O12 (532.252)


   
   
   

11-isopropyl-4,7,14-trimethyl-18-(sec-butyl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol

11-isopropyl-4,7,14-trimethyl-18-(sec-butyl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol

C25H36N6O5S (532.2468)


   

(4s)-4-[(1e,3s)-3-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

(4s)-4-[(1e,3s)-3-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

C25H40O12 (532.252)


   

3-(3,4-dihydroxyphenyl)-n-[4,7,10-trihydroxy-2,9,13-trimethyl-6-(2-methylpropyl)-14-oxo-1-oxa-5,8,11-triazacyclotetradeca-4,7,10-trien-3-yl]prop-2-enimidic acid

3-(3,4-dihydroxyphenyl)-n-[4,7,10-trihydroxy-2,9,13-trimethyl-6-(2-methylpropyl)-14-oxo-1-oxa-5,8,11-triazacyclotetradeca-4,7,10-trien-3-yl]prop-2-enimidic acid

C26H36N4O8 (532.2533)


   

(9s,10r)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl (2e)-3-phenylprop-2-enoate

(9s,10r)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl (2e)-3-phenylprop-2-enoate

C32H36O7 (532.2461)


   

(4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one

(4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-1-cyclohex-2-enone; (4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one

C25H40O12 (532.252)


{"Ingredient_id": "HBIN010856","Ingredient_name": "(4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one","Alias": "(4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-1-cyclohex-2-enone; (4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one","Ingredient_formula": "C25H40O12","Ingredient_Smile": "NA","Ingredient_weight": "532.58","OB_score": "30.24475007","CAS_id": "81425-28-7","SymMap_id": "SMIT13678","TCMID_id": "NA","TCMSP_id": "MOL012966","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(3s)-5-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2r)-4-[(1s)-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

(3s)-5-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2r)-4-[(1s)-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

C25H40O12 (532.252)


   

(1r,2s,3r,4s,6r,7r,8r,9r,12s,13s)-9,12-bis(acetyloxy)-3-(chloromethyl)-3,13-dihydroxy-6-isopropyl-9,13-dimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-4-yl acetate

(1r,2s,3r,4s,6r,7r,8r,9r,12s,13s)-9,12-bis(acetyloxy)-3-(chloromethyl)-3,13-dihydroxy-6-isopropyl-9,13-dimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-4-yl acetate

C26H41ClO9 (532.2439)


   

(4r)-3,5,5-trimethyl-4-[(1e,3r)-3-{[(2r,3r,4s,5s,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}but-1-en-1-yl]cyclohex-2-en-1-one

(4r)-3,5,5-trimethyl-4-[(1e,3r)-3-{[(2r,3r,4s,5s,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}but-1-en-1-yl]cyclohex-2-en-1-one

C25H40O12 (532.252)


   

4-(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}but-1-en-1-yl)-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

4-(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}but-1-en-1-yl)-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

C25H40O12 (532.252)


   

5-{[3,5-dihydroxy-2-(hydroxymethyl)-6-({4-[2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl}oxy)oxan-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

5-{[3,5-dihydroxy-2-(hydroxymethyl)-6-({4-[2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl}oxy)oxan-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

C25H40O12 (532.252)


   

4,11,18-triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol

4,11,18-triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol

C25H36N6O5S (532.2468)


   

(4s,7r,8s,11s,15s,18s)-4,11,18-triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol

(4s,7r,8s,11s,15s,18s)-4,11,18-triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol

C25H36N6O5S (532.2468)


   

(2e)-4-[(1r,5s,7r)-1-[(2s,3e,5r,6z)-7-chloro-5,9-dihydroxynona-3,6-dien-2-yl]-6-azaspiro[4.5]decan-7-yl]-2-methyl-n-(2-sulfoethyl)but-2-enimidic acid

(2e)-4-[(1r,5s,7r)-1-[(2s,3e,5r,6z)-7-chloro-5,9-dihydroxynona-3,6-dien-2-yl]-6-azaspiro[4.5]decan-7-yl]-2-methyl-n-(2-sulfoethyl)but-2-enimidic acid

C25H41ClN2O6S (532.2374)


   

4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl 3-phenylprop-2-enoate

4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl 3-phenylprop-2-enoate

C32H36O7 (532.2461)


   

(2s)-2-amino-n-[(2s)-1-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoyl]oxy}-3-(1h-indol-3-yl)-1-oxopropan-2-yl]propanimidic acid

(2s)-2-amino-n-[(2s)-1-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoyl]oxy}-3-(1h-indol-3-yl)-1-oxopropan-2-yl]propanimidic acid

C28H32N6O5 (532.2434)


   

(4s)-4-[(1e,3r)-3-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

(4s)-4-[(1e,3r)-3-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

C25H40O12 (532.252)


   

(1s,2s,8s,17s,19r)-12-hydroxy-19-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaene-14,18-dione

(1s,2s,8s,17s,19r)-12-hydroxy-19-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaene-14,18-dione

C32H36O7 (532.2461)


   

(20r,24s,26s)-7-ethenyl-12-ethyl-19,20-dihydroxy-6,11,26,27-tetramethyl-2,16,28,29-tetraazaheptacyclo[15.7.1.1³,²⁴.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²⁰,²⁵]nonacosa-1(25),3,5(29),6,8,10(28),11,13,15(27),16,18-undecaen-21-one

(20r,24s,26s)-7-ethenyl-12-ethyl-19,20-dihydroxy-6,11,26,27-tetramethyl-2,16,28,29-tetraazaheptacyclo[15.7.1.1³,²⁴.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²⁰,²⁵]nonacosa-1(25),3,5(29),6,8,10(28),11,13,15(27),16,18-undecaen-21-one

C33H32N4O3 (532.2474)


   

12-hydroxy-19-(4-hydroxy-3-methylbut-2-en-1-yl)-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaene-14,18-dione

12-hydroxy-19-(4-hydroxy-3-methylbut-2-en-1-yl)-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaene-14,18-dione

C32H36O7 (532.2461)


   

(2e)-3-(3,4-dihydroxyphenyl)-n-[(2r,3s,6s,9r,13s)-4,7,10-trihydroxy-2,9,13-trimethyl-6-(2-methylpropyl)-14-oxo-1-oxa-5,8,11-triazacyclotetradeca-4,7,10-trien-3-yl]prop-2-enimidic acid

(2e)-3-(3,4-dihydroxyphenyl)-n-[(2r,3s,6s,9r,13s)-4,7,10-trihydroxy-2,9,13-trimethyl-6-(2-methylpropyl)-14-oxo-1-oxa-5,8,11-triazacyclotetradeca-4,7,10-trien-3-yl]prop-2-enimidic acid

C26H36N4O8 (532.2533)


   

(4r,7r,8s,11s,14r,15s,18r)-18-[(2s)-butan-2-yl]-11-isopropyl-4,7,14-trimethyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol

(4r,7r,8s,11s,14r,15s,18r)-18-[(2s)-butan-2-yl]-11-isopropyl-4,7,14-trimethyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol

C25H36N6O5S (532.2468)