Exact Mass: 641.2836

Exact Mass Matches: 641.2836

Found 161 metabolites which its exact mass value is equals to given mass value 641.2836, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

Proansamycin X

Proansamycin X

C35H47NO10 (641.32)


A 26-membered macrocylic polyketide incorporating a quinone ring as well as lactam and enone functionality. An intermediate in the biosynthesis of rifamycin.

   

Demethyl-desacetyl-rifamycin SV

27-O-Demethyl-25-O-desacetylrifamycin SV; Demethyl-desacetyl-rifamycin SV

C34H43NO11 (641.2836)


   

S-(9-deoxy-delta9,12-PGD2)-glutathione

(5Z)-7-[(1S,2E)-5-{[(2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoic acid

C30H47N3O10S (641.2982)


The major dehydration product of prostaglandin D2, 9-deoxy-d9,d12(E)-prostaglandin D2, is a potent cytotoxic compound. Like other cytotoxic prostaglandins, this compound possesses an α,β-unsaturated ketone group to which cytotoxic activity has been attributed. This prostaglandin was found to readily conjugate with glutathione (GSH) in vitro. When 9-deoxy-d9,d12(E)-prostaglandin D2 was incubated with Chinese hamster ovary or hepatoma tissue culture cells, it was rapidly taken up and was recovered in the cell lysate primarily as a GSH conjugate in which the keto group at C-11 and the Δ12 double bond had been reduced. Identification of the GSH conjugate was accomplished by analysis by fast atom bombardment mass spectrometry following purification by high performance liquid chromatography. This GSH conjugate and its cysteinylglycinyl and cysteinyl metabolites were also identified in the cell culture medium. 9-Deoxy-d9,d12(E)-prostaglandin D2 inhibited cell proliferation of these two cell lines in a concentration dependent manner. Depletion of intracellular glutathione by treatment with diethyl maleate and buthionine sulfoximine decreased the amount of intracellular conjugated prostaglandin recovered, and significantly enhanced the antiproliferative effect of 9-deoxy-d9-d12(E)-prostaglandin D2 on the growth of these cell lines in a concentration dependent fashion. Intracellular GSH may modulate the antiproliferative activity of 9-deoxy-Δ9,Δ12(E)-prostaglandin D2 and, possibly, of other cytotoxic prostaglandins. [HMDB] The major dehydration product of prostaglandin D2, 9-deoxy-d9,d12(E)-prostaglandin D2, is a potent cytotoxic compound. Like other cytotoxic prostaglandins, this compound possesses an α,β-unsaturated ketone group to which cytotoxic activity has been attributed. This prostaglandin was found to readily conjugate with glutathione (GSH) in vitro. When 9-deoxy-d9,d12(E)-prostaglandin D2 was incubated with Chinese hamster ovary or hepatoma tissue culture cells, it was rapidly taken up and was recovered in the cell lysate primarily as a GSH conjugate in which the keto group at C-11 and the Δ12 double bond had been reduced. Identification of the GSH conjugate was accomplished by analysis by fast atom bombardment mass spectrometry following purification by high performance liquid chromatography. This GSH conjugate and its cysteinylglycinyl and cysteinyl metabolites were also identified in the cell culture medium. 9-Deoxy-d9,d12(E)-prostaglandin D2 inhibited cell proliferation of these two cell lines in a concentration dependent manner. Depletion of intracellular glutathione by treatment with diethyl maleate and buthionine sulfoximine decreased the amount of intracellular conjugated prostaglandin recovered, and significantly enhanced the antiproliferative effect of 9-deoxy-d9-d12(E)-prostaglandin D2 on the growth of these cell lines in a concentration dependent fashion. Intracellular GSH may modulate the antiproliferative activity of 9-deoxy-Δ9,Δ12(E)-prostaglandin D2 and, possibly, of other cytotoxic prostaglandins.

   

S-(PGA2)-glutathione

(5Z)-7-[(1R,2S)-3-{[(2S)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-2-[(1E)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoic acid

C30H47N3O10S (641.2982)


S-(PGA2)-glutathione is the glutathione conjugate of prostaglanding A2. PGA2 is converted to its glutathione conjugate by human mu-class GST M1a-a. Vertebrate alpha-, mu-, and pi-class GSTs were found to enhance PGA2 conjugation with glutathione, suggesting that the overexpression of GST forms could modulate the cytotoxic effects of cyclopentenone prostaglandins. Mammalian GSTs also have the ability to non-catalytically bind lipophilic, amphipathic ligands, including PGJ2, via noncovalent interactions, which effectively sequester these ligands in the cytosol away from their nuclear targets (i.e., peroxisomal proliferator-activated receptor, PPAR). S-(PGA2)-glutathione is the glutathione conjugate of prostaglanding A2

   

S-(PGJ2)-glutathione

(5Z)-7-[(1R,2R)-5-{[(2S)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoic acid

C30H47N3O10S (641.2982)


S-(PGJ2)-glutathione is a glutathione conjugate of prostaglandin J2. By reacting with glutathione and proteins, 15-d-PGJ(2) is believed to exert potent biological activity. HepG2 cells primarily convert 15-d-PGJ(2) to a glutathione conjugate in which the carbonyl at C-11 is reduced to a hydroxyl. Subsequently, the glutathione portion of the molecule is hydrolyzed with loss of glutamic acid and glycine resulting in a cysteine conjugate. These findings confirm a general route for the metabolism of cyclopentenone eicosanoids in HepG2 cells and may pave the way for new insights regarding the formation of 15-d-PGJ(2) in vivo. S-(PGJ2)-glutathione is a glutathione conjugate of prostaglandin J2.

   

12-Oxo-c-LTB3

(5R,6S,7E,9E,14Z)-6-{[(2S)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulfanyl}-5-hydroxy-12-oxoicosa-7,9,14-trienoic acid

C30H47N3O10S (641.2982)


This compound belongs to the family of Leukotrienes. These are eicosanoids containing an hydroxyl group attached to the aliphati chain of an arachidonic acid.

   

Taxine

2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-3,11-dien-5-yl 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

C35H47NO10 (641.32)


   

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

(2-{[(2R)-3-(acetyloxy)-2-{[(5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}propyl phosphono]oxy}ethyl)trimethylazanium

C32H52NO10P (641.3329)


PC(2:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(2:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of one acetyl 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   

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

(2-{[(2R)-2-(acetyloxy)-3-{[(5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}propyl phosphono]oxy}ethyl)trimethylazanium

C32H52NO10P (641.3329)


PC(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/2:0) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/2:0), in particular, consists of one chain of one Resolvin D5 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   

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

(2-{[(2R)-3-(acetyloxy)-2-{[(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}propyl phosphono]oxy}ethyl)trimethylazanium

C32H52NO10P (641.3329)


PC(2:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(2:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of one acetyl 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   

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

(2-{[(2R)-2-(acetyloxy)-3-{[(4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}propyl phosphono]oxy}ethyl)trimethylazanium

C32H52NO10P (641.3329)


PC(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/2:0) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/2:0), in particular, consists of one chain of one Protectin DX 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   

Cyclosquamosin A

15-benzyl-18-(hydroxymethyl)-3-(propan-2-yl)-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosane-2,5,11,14,17,20,23-heptone

C31H43N7O8 (641.3173)


Constituent of the seeds of Annona squamosa (sugar apple). Cyclosquamosin A is found in fruits.

   

Cycloaspeptide A

Cycloaspeptide A

C36H43N5O6 (641.3213)


   

Liaconitine A

Liaconitine A

C35H47NO10 (641.32)


   
   
   
   

Neooxazolomycin

Neooxazolomycin

C34H47N3O9 (641.3312)


   

decipinol ester A|pyridine-3-carboxylic acid rel-(2R,3R,3aS,4S,4aS,5S,8R,8aS,9R,10R,10aS)-5,10a-bis(acetyloxy)-2,3,3a,4,5,8,8a,9,10,10a-decahydro-9,10-dihydroxy-2,9-dimethyl-8-(1-methylethenyl)-3-(1-oxobutoxy)-1H-10,4a-(epoxymethano)benz[f]azulene-4-yl ester

decipinol ester A|pyridine-3-carboxylic acid rel-(2R,3R,3aS,4S,4aS,5S,8R,8aS,9R,10R,10aS)-5,10a-bis(acetyloxy)-2,3,3a,4,5,8,8a,9,10,10a-decahydro-9,10-dihydroxy-2,9-dimethyl-8-(1-methylethenyl)-3-(1-oxobutoxy)-1H-10,4a-(epoxymethano)benz[f]azulene-4-yl ester

C34H43NO11 (641.2836)


   
   

(2S,3S,4R,5R,7R,9S,11S,15R)-5,15-diacetoxy-3-benzoyloxy-7-nicotinoyloxy-14-oxolathyra-6(17),12E-diene|euphorbia factor L9

(2S,3S,4R,5R,7R,9S,11S,15R)-5,15-diacetoxy-3-benzoyloxy-7-nicotinoyloxy-14-oxolathyra-6(17),12E-diene|euphorbia factor L9

C38H43NO8 (641.2989)


   

3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one

3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one

C34H43NO11 (641.2836)


   

Proansamycin B-M1

Proansamycin B-M1

C35H47NO10 (641.32)


   

cyclosquamosin A

cyclosquamosin A

C31H43N7O8 (641.3173)


   
   

triptogelin B-2|Triptogelin B2

triptogelin B-2|Triptogelin B2

C37H39NO9 (641.2625)


   

euphocharacin J

euphocharacin J

C34H43NO11 (641.2836)


   

(1S,4R,5S,6R,7R,8R,9S,10S)-8-acetoxy-1,9-dibenzoyloxy-6-nicotynoyloxy-dihydro-beta-agarofuran

(1S,4R,5S,6R,7R,8R,9S,10S)-8-acetoxy-1,9-dibenzoyloxy-6-nicotynoyloxy-dihydro-beta-agarofuran

C37H39NO9 (641.2625)


   

1beta-acetoxy-8alpha,9beta-dibenzoyloxy-13-nicotinoyloxy-beta-dihydroagarofuran|1beta-Acetoxy-8beta,9beta-dibenzoyloxy-13-nicotinoyloxy-beta-dihydroagarofuran

1beta-acetoxy-8alpha,9beta-dibenzoyloxy-13-nicotinoyloxy-beta-dihydroagarofuran|1beta-Acetoxy-8beta,9beta-dibenzoyloxy-13-nicotinoyloxy-beta-dihydroagarofuran

C37H39NO9 (641.2625)


   

Lipoxin C4

5S,15S-dihydroxy-6R-(S-glutathionyl)-7E,9E,11Z,13E-eicosatetraenoic acid

C30H47N3O10S (641.2982)


   

Met Phe Thr Glu Asp

Met Phe Thr Glu Asp

C27H39N5O11S (641.2367)


   

Glu Phe Tyr Leu Gly

Glu Phe Tyr Leu Gly

C32H43N5O9 (641.3061)


   

Phe Ser Leu Phe Asp

Phe Ser Leu Phe Asp

C32H43N5O9 (641.3061)


   

Cycloaspeptide A_120252

Cycloaspeptide A_120252

C36H43N5O6 (641.3213)


   

Cycloaspeptide A_130056

Cycloaspeptide A_130056

C36H43N5O6 (641.3213)


   

His His Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C32H35N9O6 (641.271)


   

His His Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H35N9O6 (641.271)


   

His Asn Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H35N9O6 (641.271)


   

His Trp His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C32H35N9O6 (641.271)


   

His Trp Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C32H35N9O6 (641.271)


   

His Trp Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C32H35N9O6 (641.271)


   

His Trp Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C32H35N9O6 (641.271)


   

His Tyr His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H35N9O6 (641.271)


   

His Tyr Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C32H35N9O6 (641.271)


   

Asn His Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H35N9O6 (641.271)


   

Asn Trp His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H35N9O6 (641.271)


   

Asn Trp Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C32H35N9O6 (641.271)


   

Trp His His Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C32H35N9O6 (641.271)


   

Trp His Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C32H35N9O6 (641.271)


   

Trp His Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C32H35N9O6 (641.271)


   

Trp His Tyr His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C32H35N9O6 (641.271)


   

Trp Asn His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H35N9O6 (641.271)


   

Trp Asn Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C32H35N9O6 (641.271)


   

Trp Trp His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C32H35N9O6 (641.271)


   

Trp Trp Asn His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C32H35N9O6 (641.271)


   

Trp Tyr His His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C32H35N9O6 (641.271)


   

Tyr His His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C32H35N9O6 (641.271)


   

Tyr His Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C32H35N9O6 (641.271)


   

Tyr Trp His His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C32H35N9O6 (641.271)


   

MFTED

Met-Phe-Thr-Glu-Asp

C27H39N5O11S (641.2367)


   

MKNHL

Met-Lys-Asn-His-Leu

C27H47N9O7S (641.3319)


   

Reversin 121

Reversin 121

C34H47N3O9 (641.3312)


Reversin 121 is a P-glycoprotein inhibitor. Reversin 121 increases the ATPase activity of MDR1. Reversin 121 reverses P-glycoprotein-mediated multidrug resistance. Reversin 121 can be used in the research of cancers[1][2].

   

Steviolbioside(1-)

Steviolbioside(1-)

C32H49O13- (641.3173)


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of steviolbioside. The major species at pH 7.3.

   
   

(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-2,10,12,14,16,26,28-heptahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(28),5(27),7,18,20,23,25-heptaene-4,6,22-trione

(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-2,10,12,14,16,26,28-heptahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(28),5(27),7,18,20,23,25-heptaene-4,6,22-trione

C35H47NO10 (641.32)


   

Prostreptovaricin

Prostreptovaricin

C35H47NO10 (641.32)


   

25-O-deacetyl-27-O-demethylrifamycin SV

25-O-deacetyl-27-O-demethylrifamycin SV

C34H43NO11 (641.2836)


   

1-[1-carboxylato-3-[[3-carboxylato-5-[3-[[(E)-dec-2-enoyl]-hydroxyamino]propylamino]-3-hydroxy-5-oxopentanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylate

1-[1-carboxylato-3-[[3-carboxylato-5-[3-[[(E)-dec-2-enoyl]-hydroxyamino]propylamino]-3-hydroxy-5-oxopentanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylate

C28H41N4O13-3 (641.267)


   

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

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

C32H52NO10P (641.3329)


   

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

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

C32H52NO10P (641.3329)


   

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

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

C32H52NO10P (641.3329)


   

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

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

C32H52NO10P (641.3329)


   

[(3E)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

[(3E)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

C35H47NO10 (641.32)


   

benzylcarbonyl-Val-D-Cys(O3H)-Thr(1)-D-Thr-bAla-(1)

benzylcarbonyl-Val-D-Cys(O3H)-Thr(1)-D-Thr-bAla-(1)

C27H39N5O11S (641.2367)


   

11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2-)

11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2-)

C30H47N3O10S-2 (641.2982)


   

L-gamma-glutamyl-S-[(4S,5R,6E,8E,13Z)-1-carboxy-4-hydroxy-11-oxononadeca-6,8,13-trien-5-yl]-L-cysteinylglycine

L-gamma-glutamyl-S-[(4S,5R,6E,8E,13Z)-1-carboxy-4-hydroxy-11-oxononadeca-6,8,13-trien-5-yl]-L-cysteinylglycine

C30H47N3O10S (641.2982)


   

N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methylbenzenesulfonamide

N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methylbenzenesulfonamide

C37H43N3O5S (641.2923)


   

Rifamycin-undecaketide carboxylic acid

Rifamycin-undecaketide carboxylic acid

C35H47NO10 (641.32)


A hydroxy monocarboxylic acid that is an intermediate in the biosynthesis of rifamycin.

   

L-gamma-glutamyl-S-[(5Z,11beta,13E,15S)-1,15-dihydroxy-1,9-dioxoprosta-5,13-dien-11-yl]-L-cysteinylglycine

L-gamma-glutamyl-S-[(5Z,11beta,13E,15S)-1,15-dihydroxy-1,9-dioxoprosta-5,13-dien-11-yl]-L-cysteinylglycine

C30H47N3O10S (641.2982)


   

L-gamma-glutamyl-S-[(5Z,9beta,13E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,13-dien-9-yl]-L-cysteinylglycine

L-gamma-glutamyl-S-[(5Z,9beta,13E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,13-dien-9-yl]-L-cysteinylglycine

C30H47N3O10S (641.2982)


   

L-gamma-glutamyl-S-[(5Z,9alpha,13E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,13-dien-9-yl]-L-cysteinylglycine

L-gamma-glutamyl-S-[(5Z,9alpha,13E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,13-dien-9-yl]-L-cysteinylglycine

C30H47N3O10S (641.2982)


   

L-gamma-glutamyl-S-[(5Z,11alpha,13E,15S)-1,15-dihydroxy-1,9-dioxoprosta-5,13-dien-11-yl]-L-cysteinylglycine

L-gamma-glutamyl-S-[(5Z,11alpha,13E,15S)-1,15-dihydroxy-1,9-dioxoprosta-5,13-dien-11-yl]-L-cysteinylglycine

C30H47N3O10S (641.2982)


   

(5S,6R,7E,9E,12R,14Z)-6-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5,12-dihydroxyicosa-7,9,14-trienoate

(5S,6R,7E,9E,12R,14Z)-6-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5,12-dihydroxyicosa-7,9,14-trienoate

C30H47N3O10S-2 (641.2982)


   

(5S,6R,7E,9E,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxy-12-oxoicosa-7,9,14-trienoic acid

(5S,6R,7E,9E,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxy-12-oxoicosa-7,9,14-trienoic acid

C30H47N3O10S (641.2982)


   
   
   
   
   
   
   

2-amino-3-[[3-hexanoyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[3-hexanoyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H52NO10P (641.3329)


   

2-amino-3-[hydroxy-[2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-octanoyloxypropoxy]phosphoryl]oxypropanoic acid

2-amino-3-[hydroxy-[2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-octanoyloxypropoxy]phosphoryl]oxypropanoic acid

C32H52NO10P (641.3329)


   

2-amino-3-[[3-butanoyloxy-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[3-butanoyloxy-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H52NO10P (641.3329)


   

(2S)-2-amino-3-[[3-[(E)-dec-4-enoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[3-[(E)-dec-4-enoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H52NO10P (641.3329)


   

(2S)-2-amino-3-[[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H52NO10P (641.3329)


   

(2S)-2-amino-3-[[3-decanoyloxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2S)-2-amino-3-[[3-decanoyloxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C32H52NO10P (641.3329)


   

S-(9-deoxy-delta9,12-PGD2)-glutathione

S-(9-deoxy-delta9,12-PGD2)-glutathione

C30H47N3O10S (641.2982)


   

JBIR-96

JBIR-96

C27H39N5O11S (641.2367)


A natural product found in Streptomyces sp. RI051-SDHV6.

   

11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2-)

11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2-)

C30H47N3O10S (641.2982)


An peptide anion obtained by deprotonation of the carboxylic acid groups and protonation of the amino group of 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid; major species at pH 7.3.

   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

ST 23:3;O8;HexNAc

ST 23:3;O8;HexNAc

C31H47NO13 (641.3047)


   

ST 27:7;O5;HexNAc

ST 27:7;O5;HexNAc

C35H47NO10 (641.32)


   

(1s,2s,5s,6s,7r,9r,12r)-5-(benzoyloxy)-2-hydroxy-6-(hydroxymethyl)-2,10,10-trimethyl-7-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl pyridine-3-carboxylate

(1s,2s,5s,6s,7r,9r,12r)-5-(benzoyloxy)-2-hydroxy-6-(hydroxymethyl)-2,10,10-trimethyl-7-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl pyridine-3-carboxylate

C37H39NO9 (641.2625)


   

(2s,3s,3ar,4r,6r,8r,12r,13ar)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

(2s,3s,3ar,4r,6r,8r,12r,13ar)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C34H43NO11 (641.2836)


   

(1s,2s,3s,4r,5r,7s,8s,9r,10s,11r,14s)-7,14-bis(acetyloxy)-4-(butanoyloxy)-8,9-dihydroxy-5,9-dimethyl-11-(prop-1-en-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0³,⁷]hexadec-12-en-2-yl pyridine-3-carboxylate

(1s,2s,3s,4r,5r,7s,8s,9r,10s,11r,14s)-7,14-bis(acetyloxy)-4-(butanoyloxy)-8,9-dihydroxy-5,9-dimethyl-11-(prop-1-en-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0³,⁷]hexadec-12-en-2-yl pyridine-3-carboxylate

C34H43NO11 (641.2836)


   

9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-4,10,12-trimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione

9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-4,10,12-trimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione

C36H43N5O6 (641.3213)


   

(7z,10s,11r,12r,13r,14r,15r,16s,17s,18e,20z)-2,4,10,12,14,16,22-heptahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17-hexamethyl-23-azatricyclo[22.3.1.0⁵,²⁷]octacosa-1(27),2,4,7,18,20,22,24-octaene-6,26,28-trione

(7z,10s,11r,12r,13r,14r,15r,16s,17s,18e,20z)-2,4,10,12,14,16,22-heptahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17-hexamethyl-23-azatricyclo[22.3.1.0⁵,²⁷]octacosa-1(27),2,4,7,18,20,22,24-octaene-6,26,28-trione

C34H43NO11 (641.2836)


   

(1s,2s,3e,5s,7s,8r,10r,13s)-2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-3,11-dien-5-yl (2r,3s)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

(1s,2s,3e,5s,7s,8r,10r,13s)-2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-3,11-dien-5-yl (2r,3s)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

C35H47NO10 (641.32)


   

2'beta,13alpha,14beta-trisdeacetylaustrotaxine

2'β,13α,14β-trisdeacetylaustrotaxine

C35H47NO10 (641.32)


{"Ingredient_id": "HBIN005359","Ingredient_name": "2'beta,13alpha,14beta-trisdeacetylaustrotaxine","Alias": "2'\u03b2,13\u03b1,14\u03b2-trisdeacetylaustrotaxine","Ingredient_formula": "C35H47NO10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32158;22015","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3,5,7,15-tetraacetoxy-9-nicotinoyloxy-14-oxojatropha-6(17),11-diene

NA

C34H43NO11 (641.2836)


{"Ingredient_id": "HBIN007562","Ingredient_name": "3,5,7,15-tetraacetoxy-9-nicotinoyloxy-14-oxojatropha-6(17),11-diene","Alias": "NA","Ingredient_formula": "C34H43NO11","Ingredient_Smile": "CC1CC2(C(C1OC(=O)C)C(C(=C)C(CC(C(C=CC(C2=O)C)(C)C)OC(=O)C3=CN=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21016","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

n-(1-{[4,7-dihydroxy-6-(1-hydroxyethyl)-2-methyl-11-oxo-1-oxa-5,8-diazacycloundeca-4,7-dien-3-yl]-c-hydroxycarbonimidoyl}-2-sulfoethyl)-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidic acid

n-(1-{[4,7-dihydroxy-6-(1-hydroxyethyl)-2-methyl-11-oxo-1-oxa-5,8-diazacycloundeca-4,7-dien-3-yl]-c-hydroxycarbonimidoyl}-2-sulfoethyl)-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidic acid

C27H39N5O11S (641.2367)


   

(5s,6s,8r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

(5s,6s,8r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H47NO10 (641.32)


   

[(1e,7e,9e)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(4-methylhexanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid

[(1e,7e,9e)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(4-methylhexanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid

C32H52NO10P (641.3329)


   

[(1e,4r,6r,7z,9z)-3-(2-aminoethyl)-1-[(2s,3s)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxy-10-[(1r,3s)-3-[(5-methylhexanoyl)oxy]cyclohexyl]deca-1,7,9-trien-4-yl]oxyphosphonic acid

[(1e,4r,6r,7z,9z)-3-(2-aminoethyl)-1-[(2s,3s)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxy-10-[(1r,3s)-3-[(5-methylhexanoyl)oxy]cyclohexyl]deca-1,7,9-trien-4-yl]oxyphosphonic acid

C32H52NO10P (641.3329)


   

(3r,4e,6e,8e)-n-[(2e,4e,6r,7r)-8-[(3r,3as,4s,6as)-3a-hydroxy-6a-(hydroxymethyl)-1,3-dimethyl-2,6-dioxo-dihydrofuro[3,4-b]pyrrol-4-yl]-6-hydroxy-7-methylocta-2,4-dien-1-yl]-3-hydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

(3r,4e,6e,8e)-n-[(2e,4e,6r,7r)-8-[(3r,3as,4s,6as)-3a-hydroxy-6a-(hydroxymethyl)-1,3-dimethyl-2,6-dioxo-dihydrofuro[3,4-b]pyrrol-4-yl]-6-hydroxy-7-methylocta-2,4-dien-1-yl]-3-hydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienimidic acid

C34H47N3O9 (641.3312)


   

(1s,2s,5s,6s,7r,9r,12r)-5-(benzoyloxy)-2-hydroxy-6-(hydroxymethyl)-2,10,10-trimethyl-7-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl pyridine-3-carboxylate

(1s,2s,5s,6s,7r,9r,12r)-5-(benzoyloxy)-2-hydroxy-6-(hydroxymethyl)-2,10,10-trimethyl-7-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl pyridine-3-carboxylate

C37H39NO9 (641.2625)


   

3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C34H43NO11 (641.2836)


   

[(1s,2r,5s,6s,7s,8s,9s)-5-(acetyloxy)-7,8-bis(benzoyloxy)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl pyridine-3-carboxylate

[(1s,2r,5s,6s,7s,8s,9s)-5-(acetyloxy)-7,8-bis(benzoyloxy)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl pyridine-3-carboxylate

C37H39NO9 (641.2625)


   

(4r,7r,10s,13s,15e,17r,19s)-7-[(3-chloro-4-hydroxyphenyl)methyl]-6,12-dihydroxy-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-5,11,15-triene-2,9-dione

(4r,7r,10s,13s,15e,17r,19s)-7-[(3-chloro-4-hydroxyphenyl)methyl]-6,12-dihydroxy-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-5,11,15-triene-2,9-dione

C34H44ClN3O7 (641.2868)


   

(2s,3s,3ar,4r,7r,8s,12s,13ar)-3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

(2s,3s,3ar,4r,7r,8s,12s,13ar)-3,4,7,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C34H43NO11 (641.2836)


   

(1s,2r,3r,4r,5s,6s,8s,9r,16s,17r,18s)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

(1s,2r,3r,4r,5s,6s,8s,9r,16s,17r,18s)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H47NO10 (641.32)


   

8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H47NO10 (641.32)


   

[5-(acetyloxy)-7,8-bis(benzoyloxy)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl pyridine-3-carboxylate

[5-(acetyloxy)-7,8-bis(benzoyloxy)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-6-yl]methyl pyridine-3-carboxylate

C37H39NO9 (641.2625)


   

(3s,6s,15s,18s,24s)-15-benzyl-5,14,17,20,23-pentahydroxy-18-(hydroxymethyl)-3-isopropyl-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosa-4,13,16,19,22-pentaene-2,11-dione

(3s,6s,15s,18s,24s)-15-benzyl-5,14,17,20,23-pentahydroxy-18-(hydroxymethyl)-3-isopropyl-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosa-4,13,16,19,22-pentaene-2,11-dione

C31H43N7O8 (641.3173)


   

4-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-4-{[1-({1-[(1-carboxy-2-hydroxypropyl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)-2-phenylethyl]-c-hydroxycarbonimidoyl}butanoic acid

4-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-4-{[1-({1-[(1-carboxy-2-hydroxypropyl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)-2-phenylethyl]-c-hydroxycarbonimidoyl}butanoic acid

C32H43N5O9 (641.3061)


   

(1s,2r,5s,6s,7s,8r,9r,12r)-12-(acetyloxy)-7,8-bis(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl pyridine-3-carboxylate

(1s,2r,5s,6s,7s,8r,9r,12r)-12-(acetyloxy)-7,8-bis(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl pyridine-3-carboxylate

C37H39NO9 (641.2625)


   

[(1e,7z,9z)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(5-methylhexanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid

[(1e,7z,9z)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(5-methylhexanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid

C32H52NO10P (641.3329)


   

(4s)-4-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-4-{[(1s)-1-{[(1s)-1-{[(1s,2r)-1-carboxy-2-hydroxypropyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}butanoic acid

(4s)-4-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-4-{[(1s)-1-{[(1s)-1-{[(1s,2r)-1-carboxy-2-hydroxypropyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}butanoic acid

C32H43N5O9 (641.3061)


   

(2s)-n-[(1s)-1-{[(2r,3s,6r)-4,7-dihydroxy-6-[(1s)-1-hydroxyethyl]-2-methyl-11-oxo-1-oxa-5,8-diazacycloundeca-4,7-dien-3-yl]-c-hydroxycarbonimidoyl}-2-sulfoethyl]-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidic acid

(2s)-n-[(1s)-1-{[(2r,3s,6r)-4,7-dihydroxy-6-[(1s)-1-hydroxyethyl]-2-methyl-11-oxo-1-oxa-5,8-diazacycloundeca-4,7-dien-3-yl]-c-hydroxycarbonimidoyl}-2-sulfoethyl]-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidic acid

C27H39N5O11S (641.2367)


   

15-benzyl-5,14,17,20,23-pentahydroxy-18-(hydroxymethyl)-3-isopropyl-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosa-4,13,16,19,22-pentaene-2,11-dione

15-benzyl-5,14,17,20,23-pentahydroxy-18-(hydroxymethyl)-3-isopropyl-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosa-4,13,16,19,22-pentaene-2,11-dione

C31H43N7O8 (641.3173)


   

7-[(3-chloro-4-hydroxyphenyl)methyl]-6,12-dihydroxy-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-5,11,15-triene-2,9-dione

7-[(3-chloro-4-hydroxyphenyl)methyl]-6,12-dihydroxy-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-5,11,15-triene-2,9-dione

C34H44ClN3O7 (641.2868)


   

3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C34H43NO11 (641.2836)


   

(1s,2r,3as,5r,7s,7ar)-2-[(2e)-but-2-enoyl]-1-{[(1s,5s,6s)-4'-chloro-1-hexyl-2-hydroxy-2',4,5'-trioxo-3'-[(1e)-prop-1-en-1-yl]-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclopentane]-2,3'-dien-5-yl]carbonyl}-2-hydroxy-7-methyl-octahydroindene-5-carboxylic acid

(1s,2r,3as,5r,7s,7ar)-2-[(2e)-but-2-enoyl]-1-{[(1s,5s,6s)-4'-chloro-1-hexyl-2-hydroxy-2',4,5'-trioxo-3'-[(1e)-prop-1-en-1-yl]-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclopentane]-2,3'-dien-5-yl]carbonyl}-2-hydroxy-7-methyl-octahydroindene-5-carboxylic acid

C34H40ClNO9 (641.2391)


   

(3s,6s,9s,12s)-9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-4,10,12-trimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione

(3s,6s,9s,12s)-9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-4,10,12-trimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione

C36H43N5O6 (641.3213)


   

(1s,2r,3r,4r,5s,6s,8s,9r,10r,13r,16s,17r,18s)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

(1s,2r,3r,4r,5s,6s,8s,9r,10r,13r,16s,17r,18s)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H47NO10 (641.32)


   

(7e,10r,11s,12s,13r,14r,15r,16s,17s,18e,20z)-2,4,9,10,12,14,16,22-octahydroxy-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.0⁵,²⁷]octacosa-1(27),2,4,7,18,20,22,24-octaene-6,26,28-trione

(7e,10r,11s,12s,13r,14r,15r,16s,17s,18e,20z)-2,4,9,10,12,14,16,22-octahydroxy-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.0⁵,²⁷]octacosa-1(27),2,4,7,18,20,22,24-octaene-6,26,28-trione

C34H43NO11 (641.2836)


   

(2e,4e,6r,7s,8s,9s,10s,11r,12r,13r,14s,15e)-17-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-7,9,11,13-tetrahydroxy-2,6,8,10,12,14,16-heptamethyl-17-oxoheptadeca-2,4,15-trienoic acid

(2e,4e,6r,7s,8s,9s,10s,11r,12r,13r,14s,15e)-17-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-7,9,11,13-tetrahydroxy-2,6,8,10,12,14,16-heptamethyl-17-oxoheptadeca-2,4,15-trienoic acid

C35H47NO10 (641.32)


   

(1s,2r,3r,4r,5s,6s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

(1s,2r,3r,4r,5s,6s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H47NO10 (641.32)


   

2-(but-2-enoyl)-1-{[4'-chloro-1-hexyl-2-hydroxy-2',4,5'-trioxo-3'-(prop-1-en-1-yl)-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclopentane]-2,3'-dien-5-yl]carbonyl}-2-hydroxy-7-methyl-octahydroindene-5-carboxylic acid

2-(but-2-enoyl)-1-{[4'-chloro-1-hexyl-2-hydroxy-2',4,5'-trioxo-3'-(prop-1-en-1-yl)-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclopentane]-2,3'-dien-5-yl]carbonyl}-2-hydroxy-7-methyl-octahydroindene-5-carboxylic acid

C34H40ClNO9 (641.2391)


   

7,14-bis(acetyloxy)-4-(butanoyloxy)-8,9-dihydroxy-5,9-dimethyl-11-(prop-1-en-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0³,⁷]hexadec-12-en-2-yl pyridine-3-carboxylate

7,14-bis(acetyloxy)-4-(butanoyloxy)-8,9-dihydroxy-5,9-dimethyl-11-(prop-1-en-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0³,⁷]hexadec-12-en-2-yl pyridine-3-carboxylate

C34H43NO11 (641.2836)


   

17-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-7,9,11,13-tetrahydroxy-2,6,8,10,12,14,16-heptamethyl-17-oxoheptadeca-2,4,15-trienoic acid

17-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-7,9,11,13-tetrahydroxy-2,6,8,10,12,14,16-heptamethyl-17-oxoheptadeca-2,4,15-trienoic acid

C35H47NO10 (641.32)