Exact Mass: 522.2305

Exact Mass Matches: 522.2305

Found 250 metabolites which its exact mass value is equals to given mass value 522.2305, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Bargustanine

4-[hydroxy({7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl})methyl]benzene-1,2-diol

C29H34N2O7 (522.2366)


Bargustanine is found in tea. Bargustanine is an alkaloid from roots of Berberis vulgaris (barberry

   

4-Deoxyphysalolactone

6-(1-{8-chloro-7,11,14-trihydroxy-2,15-dimethyl-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-14-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one

C28H39ClO7 (522.2384)


4-Deoxyphysalolactone is found in fruits. 4-Deoxyphysalolactone is a constituent of Physalis peruviana (Cape gooseberry) Constituent of Physalis peruviana (Cape gooseberry). 4-Deoxyphysalolactone is found in fruits.

   

PA(2:0/5-iso PGF2VI)

[(2R)-3-(acetyloxy)-2-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}propoxy]phosphonic acid

C23H39O11P (522.223)


PA(2:0/5-iso PGF2VI) 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(2:0/5-iso PGF2VI), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 5-iso Prostaglandin F2alpha-VI 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(5-iso PGF2VI/2:0)

[(2R)-2-(acetyloxy)-3-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}propoxy]phosphonic acid

C23H39O11P (522.223)


PA(5-iso PGF2VI/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(5-iso PGF2VI/2:0), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI 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).

   

Benzoylgomisin H

Benzoylgomisin H

C30H34O8 (522.2254)


   

Tiegusanin C

Tiegusanin C

C30H34O8 (522.2254)


   

Saucerneol E

Saucerneol E

C30H34O8 (522.2254)


   

Carpelastofuran

6,7,10,11-Tetrahydro-3,9-dihydroxy-6,11-bis (1-hydroxy-1-methylethyl) -13- (3-methyl-2-butenyl) -8H-furo [ 3,2:6,7 ] [ 1 ] benzopyrano [ 3,2-d ] [ 1 ] benzoxepin-8-one

C30H34O8 (522.2254)


   

Asukamycin C-II

Asukamycin C-II

C29H34N2O7 (522.2366)


   

Asukamycin D-II

Asukamycin D-II

C29H34N2O7 (522.2366)


   

Euchretin M

5,7,4,5-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl-8,3-diprenylcoumaronochromone

C30H34O8 (522.2254)


   

4-Deoxyphysalolactone

6-(1-{8-chloro-7,11,14-trihydroxy-2,15-dimethyl-3-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-4-en-14-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one

C28H39ClO7 (522.2384)


   

MCULE-3979798387

MCULE-3979798387

C30H34O8 (522.2254)


   

CHEMBL519932

CHEMBL519932

C30H34O8 (522.2254)


   
   

Saucerneol C

Saucerneol C

C30H34O8 (522.2254)


   

8-geranyl-3-(hydroxyprenyl)isoetin

8-geranyl-3-(hydroxyprenyl)isoetin

C30H34O8 (522.2254)


   

(+)-4,4-O-diangeloylpinoresinol|(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis-[2-methoxybenzene-4,1-diyl] bis[(2Z)-2-methylbut-2-enoate]

(+)-4,4-O-diangeloylpinoresinol|(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis-[2-methoxybenzene-4,1-diyl] bis[(2Z)-2-methylbut-2-enoate]

C30H34O8 (522.2254)


   

Eupodienone 3

Eupodienone 3

C30H34O8 (522.2254)


   

SCHEMBL14823074

SCHEMBL14823074

C28H39ClO7 (522.2384)


   

Benzoylgomisin U

Benzoylgomisin U

C30H34O8 (522.2254)


   

Phe Glu Val Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-methylbutanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Glu Val Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-3-phenylpropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Phe Asp Ile Glu

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-methylpentanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Asp Ile Phe Glu

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylpentanamido]-3-phenylpropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

C30H34O8 (522.2254)


   

methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

NCGC00380342-01!methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

C30H34O8 (522.2254)


   

methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

C30H34O8 (522.2254)


   

methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000845235]

NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000845235]

C30H34O8 (522.2254)


   

methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]

NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]

C30H34O8 (522.2254)


   

methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846693]

NCGC00380342-01!methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846693]

C30H34O8 (522.2254)


   

methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000845233]

NCGC00347732-02!methyl 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000845233]

C30H34O8 (522.2254)


   

methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]

NCGC00380342-01!methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]

C30H34O8 (522.2254)


   

Cys Lys Ser Trp

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

C23H34N6O6S (522.226)


   

Cys Lys Trp Ser

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2R)-2-amino-3-sulfanylpropanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C23H34N6O6S (522.226)


   

Cys Ser Lys Trp

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

C23H34N6O6S (522.226)


   

Cys Ser Trp Lys

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

C23H34N6O6S (522.226)


   

Cys Trp Lys Ser

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-hydroxypropanoic acid

C23H34N6O6S (522.226)


   

Cys Trp Ser Lys

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

C23H34N6O6S (522.226)


   

Asp Glu Phe Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-phenylpropanamido]-3-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Asp Glu Phe Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]-3-phenylpropanamido]-4-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Asp Glu Ile Phe

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S,2S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Asp Glu Leu Phe

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Asp Phe Glu Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-carboxybutanamido]-3-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Asp Phe Glu Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-carboxybutanamido]-4-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Asp Phe Ile Glu

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-methylpentanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Asp Phe Leu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-methylpentanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Asp Ile Glu Phe

(4S)-4-[(2S,3S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylpentanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Asp Leu Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Asp Leu Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-3-phenylpropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Glu Asp Phe Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Glu Asp Phe Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]-3-phenylpropanamido]-4-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Glu Asp Ile Phe

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-methylbutyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Glu Asp Leu Phe

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Glu Glu Phe Val

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Glu Glu Val Phe

(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Glu Phe Asp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-3-carboxypropanamido]-3-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Glu Phe Asp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-3-carboxypropanamido]-4-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Glu Phe Glu Val

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Glu Phe Ile Asp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-3-methylpentanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Glu Phe Leu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-4-methylpentanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Glu Phe Val Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-3-methylbutanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Glu Ile Asp Phe

(4S)-4-amino-4-{[(1S,2S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Glu Ile Phe Asp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylpentanamido]-3-phenylpropanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Glu Leu Asp Phe

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Glu Leu Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-methylpentanamido]-3-phenylpropanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Glu Val Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Phe Asp Glu Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-3-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Phe Asp Glu Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-4-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Phe Asp Leu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-4-methylpentanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Phe Glu Asp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-carboxypropanamido]-3-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Phe Glu Asp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-carboxypropanamido]-4-methylpentanoic acid

C24H34N4O9 (522.2326)


   

Phe Glu Glu Val

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Phe Glu Ile Asp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-methylpentanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Phe Glu Leu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-4-methylpentanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Phe Gly His Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H30N6O6 (522.2227)


   

Phe Gly Asn Trp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Phe Gly Trp Asn

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C26H30N6O6 (522.2227)


   

Phe Gly Tyr His

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Phe His Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C26H30N6O6 (522.2227)


   

Phe His Tyr Gly

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

C26H30N6O6 (522.2227)


   

Phe Ile Asp Glu

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanamido]-3-carboxypropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Phe Ile Glu Asp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanamido]-4-carboxybutanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Phe Leu Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-carboxypropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Phe Leu Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-4-carboxybutanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Phe Asn Gly Trp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Phe Asn Trp Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]acetic acid

C26H30N6O6 (522.2227)


   

Phe Val Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylbutanamido]-4-carboxybutanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Phe Trp Gly Asn

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-carbamoylpropanoic acid

C26H30N6O6 (522.2227)


   

Phe Trp Asn Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]acetic acid

C26H30N6O6 (522.2227)


   

Phe Tyr Gly His

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Phe Tyr His Gly

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

C26H30N6O6 (522.2227)


   

Gly Phe His Tyr

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

C26H30N6O6 (522.2227)


   

Gly Phe Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Gly Phe Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C26H30N6O6 (522.2227)


   

Gly Phe Tyr His

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

C26H30N6O6 (522.2227)


   

Gly His Phe Tyr

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

C26H30N6O6 (522.2227)


   

Gly His Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Gly Asn Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Gly Asn Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Gly Trp Phe Asn

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-carbamoylpropanoic acid

C26H30N6O6 (522.2227)


   

Gly Trp Asn Phe

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Gly Tyr Phe His

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

C26H30N6O6 (522.2227)


   

Gly Tyr His Phe

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

His Phe Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C26H30N6O6 (522.2227)


   

His Phe Tyr Gly

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

C26H30N6O6 (522.2227)


   

His Gly Phe Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H30N6O6 (522.2227)


   

His Gly Tyr Phe

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

His His Met Val

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

C22H34N8O5S (522.2373)


   

His His Val Met

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

C22H34N8O5S (522.2373)


   

His Met His Val

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

C22H34N8O5S (522.2373)


   

His Met Val His

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

C22H34N8O5S (522.2373)


   

His Val His Met

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

C22H34N8O5S (522.2373)


   

His Val Met His

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

C22H34N8O5S (522.2373)


   

His Tyr Phe Gly

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

C26H30N6O6 (522.2227)


   

His Tyr Gly Phe

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Ile Asp Glu Phe

(4S)-4-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Ile Asp Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carboxypropanamido]-3-phenylpropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Ile Glu Asp Phe

(4S)-4-[(2S,3S)-2-amino-3-methylpentanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Ile Glu Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-carboxybutanamido]-3-phenylpropanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Ile Phe Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-phenylpropanamido]-3-carboxypropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Ile Phe Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-phenylpropanamido]-4-carboxybutanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Lys Cys Ser Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H34N6O6S (522.226)


   

Lys Cys Trp Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C23H34N6O6S (522.226)


   

Lys Met Met Asn

(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C20H38N6O6S2 (522.2294)


   

Lys Met Asn Met

(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C20H38N6O6S2 (522.2294)


   

Lys Asn Met Met

(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C20H38N6O6S2 (522.2294)


   

Lys Ser Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H34N6O6S (522.226)


   

Lys Ser Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C23H34N6O6S (522.226)


   

Lys Trp Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C23H34N6O6S (522.226)


   

Lys Trp Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C23H34N6O6S (522.226)


   

Leu Asp Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Leu Asp Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-carboxypropanamido]-3-phenylpropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Leu Glu Asp Phe

(4S)-4-[(2S)-2-amino-4-methylpentanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Leu Glu Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-carboxybutanamido]-3-phenylpropanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Leu Phe Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanamido]-3-carboxypropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Leu Phe Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanamido]-4-carboxybutanamido]butanedioic acid

C24H34N4O9 (522.2326)


   

Met His His Val

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

C22H34N8O5S (522.2373)


   

Met His Val His

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

C22H34N8O5S (522.2373)


   

Met Lys Met Asn

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C20H38N6O6S2 (522.2294)


   

Met Lys Asn Met

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C20H38N6O6S2 (522.2294)


   

Met Met Lys Asn

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]hexanamido]-3-carbamoylpropanoic acid

C20H38N6O6S2 (522.2294)


   

Met Met Asn Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]hexanoic acid

C20H38N6O6S2 (522.2294)


   

Met Asn Lys Met

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]hexanamido]-4-(methylsulfanyl)butanoic acid

C20H38N6O6S2 (522.2294)


   

Met Asn Met Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]hexanoic acid

C20H38N6O6S2 (522.2294)


   

Met Val His His

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

C22H34N8O5S (522.2373)


   

Asn Phe Gly Trp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Asn Phe Trp Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]acetic acid

C26H30N6O6 (522.2227)


   

Asn Gly Phe Trp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Asn Gly Trp Phe

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Asn Lys Met Met

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-carbamoylpropanamido]hexanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C20H38N6O6S2 (522.2294)


   

Asn Met Lys Met

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]hexanamido]-4-(methylsulfanyl)butanoic acid

C20H38N6O6S2 (522.2294)


   

Asn Met Met Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]hexanoic acid

C20H38N6O6S2 (522.2294)


   

Asn Trp Phe Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]acetic acid

C26H30N6O6 (522.2227)


   

Asn Trp Gly Phe

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Ser Cys Lys Trp

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

C23H34N6O6S (522.226)


   

Ser Cys Trp Lys

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

C23H34N6O6S (522.226)


   

Ser Lys Cys Trp

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

C23H34N6O6S (522.226)


   

Ser Lys Trp Cys

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

C23H34N6O6S (522.226)


   

Ser Trp Cys Lys

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

C23H34N6O6S (522.226)


   

Ser Trp Lys Cys

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

C23H34N6O6S (522.226)


   

Val Glu Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C24H34N4O9 (522.2326)


   

Val Glu Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carboxybutanamido]-3-phenylpropanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Val Phe Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-phenylpropanamido]-4-carboxybutanamido]pentanedioic acid

C24H34N4O9 (522.2326)


   

Val His His Met

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

C22H34N8O5S (522.2373)


   

Val His Met His

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

C22H34N8O5S (522.2373)


   

Val Met His His

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

C22H34N8O5S (522.2373)


   

Trp Cys Lys Ser

(2S)-2-[(2S)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]hexanamido]-3-hydroxypropanoic acid

C23H34N6O6S (522.226)


   

Trp Cys Ser Lys

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

C23H34N6O6S (522.226)


   

Trp Phe Gly Asn

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]acetamido}-3-carbamoylpropanoic acid

C26H30N6O6 (522.2227)


   

Trp Phe Asn Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]acetic acid

C26H30N6O6 (522.2227)


   

Trp Gly Phe Asn

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-phenylpropanamido]-3-carbamoylpropanoic acid

C26H30N6O6 (522.2227)


   

Trp Gly Asn Phe

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-carbamoylpropanamido]-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Trp Lys Cys Ser

(2S)-2-[(2R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C23H34N6O6S (522.226)


   

Trp Lys Ser Cys

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

C23H34N6O6S (522.226)


   

Trp Asn Phe Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]acetic acid

C26H30N6O6 (522.2227)


   

Trp Asn Gly Phe

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]acetamido}-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Trp Ser Cys Lys

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

C23H34N6O6S (522.226)


   

Trp Ser Lys Cys

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

C23H34N6O6S (522.226)


   

Tyr Phe Gly His

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Tyr Phe His Gly

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

C26H30N6O6 (522.2227)


   

Tyr Gly Phe His

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H30N6O6 (522.2227)


   

Tyr Gly His Phe

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Tyr His Phe Gly

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

C26H30N6O6 (522.2227)


   

Tyr His Gly Phe

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-phenylpropanoic acid

C26H30N6O6 (522.2227)


   

Bargustanine

4-[hydroxy({7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl})methyl]benzene-1,2-diol

C29H34N2O7 (522.2366)


   

benzene-1,3-dicarboxylic acid,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid,propane-1,2-diol

benzene-1,3-dicarboxylic acid,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid,propane-1,2-diol

C23H38O13 (522.2312)


   

benzene-1,3-dicarboxylic acid,ethane-1,2-diol,2-(2-hydroxyethoxy)ethanol,nonanedioic acid

benzene-1,3-dicarboxylic acid,ethane-1,2-diol,2-(2-hydroxyethoxy)ethanol,nonanedioic acid

C23H38O13 (522.2312)


   

terbium(3+),1,2,3,4-tetramethylcyclopenta-1,3-diene

terbium(3+),1,2,3,4-tetramethylcyclopenta-1,3-diene

C27H39Tb (522.2305)


   

nigrasin G

nigrasin G

C30H34O8 (522.2254)


An extended flavonoid that is 5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one substituted by hydroxy groups at positions 1, 3, 8 and 10a and a 3-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-12-yl group at position 5a. It has been isolated from the twigs of Morus nigra.

   

PA(2:0/5-iso PGF2VI)

PA(2:0/5-iso PGF2VI)

C23H39O11P (522.223)


   

PA(5-iso PGF2VI/2:0)

PA(5-iso PGF2VI/2:0)

C23H39O11P (522.223)


   

2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide

2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide

C27H33F3N2O5 (522.2341)


   

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

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

C27H33F3N2O5 (522.2341)


   

(2S)-2-[(4R,5R)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

(2S)-2-[(4R,5R)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

C28H34N4O4S (522.2301)


   

2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide

2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide

C27H33F3N2O5 (522.2341)


   

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

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

C27H33F3N2O5 (522.2341)


   

(2S)-2-[(4R,5S)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

(2S)-2-[(4R,5S)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

C28H34N4O4S (522.2301)


   

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

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

C27H33F3N2O5 (522.2341)


   

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

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

C27H33F3N2O5 (522.2341)


   

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

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

C27H33F3N2O5 (522.2341)


   

N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide

N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide

C28H34N4O4S (522.2301)


   

(2R)-2-[(4S,5S)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

(2R)-2-[(4S,5S)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

C28H34N4O4S (522.2301)


   

(2R)-2-[(4R,5R)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

(2R)-2-[(4R,5R)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

C28H34N4O4S (522.2301)


   

(2S)-2-[(4S,5R)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

(2S)-2-[(4S,5R)-4-methyl-5-[[methyl(pyrimidin-5-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

C28H34N4O4S (522.2301)


   

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

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

C27H33F3N2O5 (522.2341)


   

Methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

Methyl 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate

C30H34O8 (522.2254)


   
   
   

KL-11743

KL-11743

C30H30N6O3 (522.2379)


KL-11743 is a potent, orally active, and glucose-competitive inhibitor of the class I glucose transporters, with IC50s of 115, 137, 90, and 68 nM for GLUT1, GLUT2, GLUT3, and GLUT4, respectively. KL-11743 specifically blocks glucose metabolism. KL-11743 can synergize with electron transport inhibitors to induce cell death[1][2][3].

   

(2e,4e,6e)-n-[(3s,4r)-3,4-dihydroxy-3-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]-6-oxocyclohex-1-en-1-yl]-9-methyldeca-2,4,6-trienimidic acid

(2e,4e,6e)-n-[(3s,4r)-3,4-dihydroxy-3-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]-6-oxocyclohex-1-en-1-yl]-9-methyldeca-2,4,6-trienimidic acid

C29H34N2O7 (522.2366)


   

5-[(1r,2s)-2-{4-[(2r,3s,4s,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol

5-[(1r,2s)-2-{4-[(2r,3s,4s,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol

C30H34O8 (522.2254)


   

(8s,9s,10s)-14-hydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl benzoate

(8s,9s,10s)-14-hydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl benzoate

C30H34O8 (522.2254)


   

5-[(1r,2r)-2-{4-[(2s,3r,4r,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol

5-[(1r,2r)-2-{4-[(2s,3r,4r,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol

C30H34O8 (522.2254)


   

(2e)-6-{3-[5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]propyl}-7-hydroxy-2-methylhept-2-en-1-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

(2e)-6-{3-[5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]propyl}-7-hydroxy-2-methylhept-2-en-1-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

C30H34O8 (522.2254)


   

(6s)-6-[(1s)-1-[(1s,3ar,3br,5r,5ar,9as,9br,11as)-5a-chloro-1,3a,5-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

(6s)-6-[(1s)-1-[(1s,3ar,3br,5r,5ar,9as,9br,11as)-5a-chloro-1,3a,5-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

C28H39ClO7 (522.2384)


   

(9r,10s)-10-hydroxy-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 benzoate

(9r,10s)-10-hydroxy-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 benzoate

C30H34O8 (522.2254)


   

(8r,9s,10r)-8-hydroxy-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 benzoate

(8r,9s,10r)-8-hydroxy-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 benzoate

C30H34O8 (522.2254)


   

(6s)-6-[(1s)-1-[(1s,3ar,3br,5s,5as,9ar,9bs,11as)-5-chloro-1,3a,5a-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

(6s)-6-[(1s)-1-[(1s,3ar,3br,5s,5as,9ar,9bs,11as)-5-chloro-1,3a,5a-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

C28H39ClO7 (522.2384)


   

(7r,21r)-4,17-dihydroxy-7,21-bis(2-hydroxypropan-2-yl)-10-(3-methylbut-2-en-1-yl)-8,12,20-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]docosa-1(13),3,5(9),10,14,16,18-heptaen-2-one

(7r,21r)-4,17-dihydroxy-7,21-bis(2-hydroxypropan-2-yl)-10-(3-methylbut-2-en-1-yl)-8,12,20-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]docosa-1(13),3,5(9),10,14,16,18-heptaen-2-one

C30H34O8 (522.2254)


   

Benzoylgomisin H

benzoylgomisin h

C30H34O8 (522.2254)


{"Ingredient_id": "HBIN017813","Ingredient_name": "Benzoylgomisin H","Alias": "benzoylgomisin h","Ingredient_formula": "C30H34O8","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC(=O)C4=CC=CC=C4)OC)OC","Ingredient_weight": "522.6 g/mol","OB_score": "7.510450706","CAS_id": "NA","SymMap_id": "SMIT10159","TCMID_id": "2240","TCMSP_id": "MOL008960","TCM_ID_id": "NA","PubChem_id": "14992069","DrugBank_id": "NA"}

   

(2e,4e,6e,8r)-n-[(3s,4r)-3,4-dihydroxy-3-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]-6-oxocyclohex-1-en-1-yl]-8-methyldeca-2,4,6-trienimidic acid

(2e,4e,6e,8r)-n-[(3s,4r)-3,4-dihydroxy-3-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]-6-oxocyclohex-1-en-1-yl]-8-methyldeca-2,4,6-trienimidic acid

C29H34N2O7 (522.2366)


   

(8r,9s,10s)-14-hydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl benzoate

(8r,9s,10s)-14-hydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl benzoate

C30H34O8 (522.2254)


   

(7s,21r)-4,17-dihydroxy-7,21-bis(2-hydroxypropan-2-yl)-10-(3-methylbut-2-en-1-yl)-8,12,20-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]docosa-1(13),3,5(9),10,14,16,18-heptaen-2-one

(7s,21r)-4,17-dihydroxy-7,21-bis(2-hydroxypropan-2-yl)-10-(3-methylbut-2-en-1-yl)-8,12,20-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]docosa-1(13),3,5(9),10,14,16,18-heptaen-2-one

C30H34O8 (522.2254)


   

5-(2-{4-[5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol

5-(2-{4-[5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol

C30H34O8 (522.2254)


   

14-hydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl benzoate

14-hydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl benzoate

C30H34O8 (522.2254)


   

(1r,2r,3r,5r,6r,11s,12s,15r,16s,17r)-6-chloro-2,5,16-trihydroxy-17-[(1s,2r,4r,6s)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]-11,15-dimethylpentacyclo[14.2.1.0²,¹⁵.0³,¹².0⁶,¹¹]nonadec-8-en-10-one

(1r,2r,3r,5r,6r,11s,12s,15r,16s,17r)-6-chloro-2,5,16-trihydroxy-17-[(1s,2r,4r,6s)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]-11,15-dimethylpentacyclo[14.2.1.0²,¹⁵.0³,¹².0⁶,¹¹]nonadec-8-en-10-one

C28H39ClO7 (522.2384)


   

(5r)-5-[(1e,3e)-hexa-1,3-dien-1-yl]-2-[(2s)-2-[(2r)-2-[(1e,3e)-hexa-1,3-dien-1-yl]-2,6-dimethyl-3,4-dioxofuro[3,2-c]pyran-7-yl]propyl]-5-methyl-4-oxofuran-3-carboxylic acid

(5r)-5-[(1e,3e)-hexa-1,3-dien-1-yl]-2-[(2s)-2-[(2r)-2-[(1e,3e)-hexa-1,3-dien-1-yl]-2,6-dimethyl-3,4-dioxofuro[3,2-c]pyran-7-yl]propyl]-5-methyl-4-oxofuran-3-carboxylic acid

C30H34O8 (522.2254)


   

(2e,4e,6e)-n-[(3s,4r)-3,4-dihydroxy-3-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]-6-oxocyclohex-1-en-1-yl]-8-methyldeca-2,4,6-trienimidic acid

(2e,4e,6e)-n-[(3s,4r)-3,4-dihydroxy-3-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]-6-oxocyclohex-1-en-1-yl]-8-methyldeca-2,4,6-trienimidic acid

C29H34N2O7 (522.2366)


   

4-[(r)-hydroxy[(1s)-7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]benzene-1,2-diol

4-[(r)-hydroxy[(1s)-7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]benzene-1,2-diol

C29H34N2O7 (522.2366)


   

(8r,9r,10r)-8-hydroxy-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 benzoate

(8r,9r,10r)-8-hydroxy-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 benzoate

C30H34O8 (522.2254)


   

(6r)-6-[(1s)-1-[(1s,3ar,3br,5s,5as,9ar,9bs,11as)-5-chloro-1,3a,5a-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

(6r)-6-[(1s)-1-[(1s,3ar,3br,5s,5as,9ar,9bs,11as)-5-chloro-1,3a,5a-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

C28H39ClO7 (522.2384)


   

5,7,13,14-tetrahydroxy-6-(3-hydroxy-3-methylbutyl)-4,15-bis(3-methylbut-2-en-1-yl)-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one

5,7,13,14-tetrahydroxy-6-(3-hydroxy-3-methylbutyl)-4,15-bis(3-methylbut-2-en-1-yl)-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one

C30H34O8 (522.2254)


   

n-(3,4-dihydroxy-3-{6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl}-6-oxocyclohex-1-en-1-yl)-8-methyldeca-2,4,6-trienimidic acid

n-(3,4-dihydroxy-3-{6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl}-6-oxocyclohex-1-en-1-yl)-8-methyldeca-2,4,6-trienimidic acid

C29H34N2O7 (522.2366)


   

(9s,10s)-10-hydroxy-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 benzoate

(9s,10s)-10-hydroxy-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 benzoate

C30H34O8 (522.2254)


   

(5r)-5-[(1e,3e)-hexa-1,3-dien-1-yl]-2-[(2r)-2-[(2r)-2-[(1e,3e)-hexa-1,3-dien-1-yl]-2,6-dimethyl-3,4-dioxofuro[3,2-c]pyran-7-yl]propyl]-5-methyl-4-oxofuran-3-carboxylic acid

(5r)-5-[(1e,3e)-hexa-1,3-dien-1-yl]-2-[(2r)-2-[(2r)-2-[(1e,3e)-hexa-1,3-dien-1-yl]-2,6-dimethyl-3,4-dioxofuro[3,2-c]pyran-7-yl]propyl]-5-methyl-4-oxofuran-3-carboxylic acid

C30H34O8 (522.2254)


   

5-[(1r,2r)-2-{4-[(2r,3s,4r,5r)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol

5-[(1r,2r)-2-{4-[(2r,3s,4r,5r)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol

C30H34O8 (522.2254)


   

6-(1-{5-chloro-1,3a,5a-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydropyran-2-one

6-(1-{5-chloro-1,3a,5a-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydropyran-2-one

C28H39ClO7 (522.2384)


   

6-(1-{5a-chloro-1,3a,5-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydropyran-2-one

6-(1-{5a-chloro-1,3a,5-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydropyran-2-one

C28H39ClO7 (522.2384)


   

4-[5-(4-{[1-(2h-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

4-[5-(4-{[1-(2h-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

C30H34O8 (522.2254)


   

10-hydroxy-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 benzoate

10-hydroxy-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 benzoate

C30H34O8 (522.2254)


   

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

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

C30H34O8 (522.2254)


   

6-chloro-2,5,16-trihydroxy-17-{2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl}-11,15-dimethylpentacyclo[14.2.1.0²,¹⁵.0³,¹².0⁶,¹¹]nonadec-8-en-10-one

6-chloro-2,5,16-trihydroxy-17-{2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl}-11,15-dimethylpentacyclo[14.2.1.0²,¹⁵.0³,¹².0⁶,¹¹]nonadec-8-en-10-one

C28H39ClO7 (522.2384)


   

(6r)-6-[(1s)-1-[(1s,3ar,3br,5r,5ar,9as,9bs,11as)-5a-chloro-1,3a,5-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

(6r)-6-[(1s)-1-[(1s,3ar,3br,5r,5ar,9as,9bs,11as)-5a-chloro-1,3a,5-trihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one

C28H39ClO7 (522.2384)


   

7-[1,6-dihydroxy-3-(9-methyldeca-2,4,6-trienamido)-4-oxocyclohex-2-en-1-yl]-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid

7-[1,6-dihydroxy-3-(9-methyldeca-2,4,6-trienamido)-4-oxocyclohex-2-en-1-yl]-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)hepta-2,4,6-trienimidic acid

C29H34N2O7 (522.2366)


   

4-[(2s,3r,4r,5s)-5-(4-{[(1r,2r)-1-(2h-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

4-[(2s,3r,4r,5s)-5-(4-{[(1r,2r)-1-(2h-1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

C30H34O8 (522.2254)


   

5-[(1r,2r)-2-{4-[(2s,3r,4r,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol

5-[(1r,2r)-2-{4-[(2s,3r,4r,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}-1-hydroxypropyl]-2-methoxyphenol

C30H34O8 (522.2254)


   

n-[(2s,3r,4r,6r)-16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl]-n-methylpropanamide

n-[(2s,3r,4r,6r)-16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl]-n-methylpropanamide

C31H30N4O4 (522.2267)