Exact Mass: 584.2750199999999

Exact Mass Matches: 584.2750199999999

Found 115 metabolites which its exact mass value is equals to given mass value 584.2750199999999, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Ouabain

3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

C29H44O12 (584.2832624)


Ouabain is only found in individuals that have used or taken this drug. It is a cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like digitalis. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-exchanging ATPase. [PubChem]Ouabain inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Ouabain also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential. CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6235; ORIGINAL_PRECURSOR_SCAN_NO 6233 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6272; ORIGINAL_PRECURSOR_SCAN_NO 6270 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6219; ORIGINAL_PRECURSOR_SCAN_NO 6216 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6224; ORIGINAL_PRECURSOR_SCAN_NO 6220 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6194; ORIGINAL_PRECURSOR_SCAN_NO 6191 C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins [Raw Data] CB084_Ouabain_pos_50eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_10eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_30eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_20eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_40eV_CB000036.txt D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors

   

Glycosides

4-[(1S,2R,3S,5S,7R,10R,11R,14S,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one

C29H44O12 (584.2832624)


Ouabain, a cardiac glycoside similar to digitoxin, is used to treat congestive heart failure and supraventricular arrhythmias due to reentry mechanisms, and to control ventricular rate in the treatment of chronic atrial fibrillation. Glycosides is found in allspice, fig, and apricot. Glycosides is found in allspice. Ouabain, a cardiac glycoside similar to digitoxin, is used to treat congestive heart failure and supraventricular arrhythmias due to reentry mechanisms, and to control ventricular rate in the treatment of chronic atrial fibrillation C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors

   

Acolongifloriside K

4-[3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one

C29H44O12 (584.2832624)


   

Laniquidar

methyl 2-[1-(2-{4-[(quinolin-2-yl)methoxy]phenyl}ethyl)piperidin-4-ylidene]-4,7-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3,5,10,12-pentaene-6-carboxylate

C37H36N4O3 (584.2787266)


C1744 - Multidrug Resistance Modulator

   
   
   

(3R)-1-octen-3-ol 3-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside|asystoside

(3R)-1-octen-3-ol 3-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside|asystoside

C25H44O15 (584.2680074)


   
   

3-O-alpha-arabinopyranosyl-(1?6)-beta-glucopyranosyl-(1?6)-beta-glucopyranosyl-1-octen-3-ol

3-O-alpha-arabinopyranosyl-(1?6)-beta-glucopyranosyl-(1?6)-beta-glucopyranosyl-1-octen-3-ol

C25H44O15 (584.2680074)


   
   

1-octen-3-yl O-beta-D-apiofuranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside|lunaroside

1-octen-3-yl O-beta-D-apiofuranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside|lunaroside

C25H44O15 (584.2680074)


   

2beta-acetoxy-4alpha-chloro-1beta,8-diangeloyloxy-3beta-hydroxy-10,11-isopropoxybisabol-7(14)-ene

2beta-acetoxy-4alpha-chloro-1beta,8-diangeloyloxy-3beta-hydroxy-10,11-isopropoxybisabol-7(14)-ene

C30H45ClO9 (584.275195)


   
   
   

Ouabain

3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

C29H44O12 (584.2832624)


D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 0.613 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.614

   
   

C29H44O12_Card-20(22)-enolide, 3-[(6-deoxy-beta-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,8xi,9xi,11alpha)

NCGC00180829-02_C29H44O12_Card-20(22)-enolide, 3-[(6-deoxy-beta-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,8xi,9xi,11alpha)-

C29H44O12 (584.2832624)


   

3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

C29H44O12 (584.2832624)


   
   

Asp His Lys Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C27H36N8O7 (584.2706826)


   

Asp His Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C27H36N8O7 (584.2706826)


   

Asp Lys His Trp

(3S)-3-amino-3-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pentyl]carbamoyl}propanoic acid

C27H36N8O7 (584.2706826)


   

Asp Lys Trp His

(3S)-3-amino-3-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}propanoic acid

C27H36N8O7 (584.2706826)


   

Asp Trp His Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid

C27H36N8O7 (584.2706826)


   

Asp Trp Lys His

(3S)-3-amino-3-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C27H36N8O7 (584.2706826)


   

His Asp Lys Trp

(3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pentyl]carbamoyl}-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]propanoic acid

C27H36N8O7 (584.2706826)


   

His Asp Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C27H36N8O7 (584.2706826)


   

His Lys Asp Trp

(3S)-3-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C27H36N8O7 (584.2706826)


   

His Lys Trp Asp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C27H36N8O7 (584.2706826)


   

His Arg Ser Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

His Arg Trp Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C26H36N10O6 (584.2819156)


   

His Ser Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

His Ser Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C26H36N10O6 (584.2819156)


   

His Trp Asp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]hexanoic acid

C27H36N8O7 (584.2706826)


   

His Trp Lys Asp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]butanedioic acid

C27H36N8O7 (584.2706826)


   

His Trp Arg Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanoic acid

C26H36N10O6 (584.2819156)


   

His Trp Ser Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanoic acid

C26H36N10O6 (584.2819156)


   

Lys Asp His Trp

(3S)-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-[(2S)-2,6-diaminohexanamido]propanoic acid

C27H36N8O7 (584.2706826)


   

Lys Asp Trp His

(3S)-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-[(2S)-2,6-diaminohexanamido]propanoic acid

C27H36N8O7 (584.2706826)


   

Lys His Asp Trp

(3S)-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-4-yl)propanamido]propanoic acid

C27H36N8O7 (584.2706826)


   

Lys His Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C27H36N8O7 (584.2706826)


   

Lys Trp Asp His

(3S)-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C27H36N8O7 (584.2706826)


   

Lys Trp His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C27H36N8O7 (584.2706826)


   

Pro Pro Trp Trp

(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}propanamido]propanoic acid

C32H36N6O5 (584.2747046)


   

Pro Trp Pro Trp

(2S)-3-(1H-indol-3-yl)-2-{[(2S)-1-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanoyl]pyrrolidin-2-yl]formamido}propanoic acid

C32H36N6O5 (584.2747046)


   

Pro Trp Trp Pro

(2S)-1-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanoyl]pyrrolidine-2-carboxylic acid

C32H36N6O5 (584.2747046)


   

Arg His Ser Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Arg His Trp Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C26H36N10O6 (584.2819156)


   

Arg Ser His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Arg Ser Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Arg Trp His Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid

C26H36N10O6 (584.2819156)


   

Arg Trp Ser His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Ser His Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Ser His Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C26H36N10O6 (584.2819156)


   

Ser Arg His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Ser Arg Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Ser Trp His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C26H36N10O6 (584.2819156)


   

Ser Trp Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Trp Asp His Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid

C27H36N8O7 (584.2706826)


   

Trp Asp Lys His

(3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pentyl]carbamoyl}-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanoic acid

C27H36N8O7 (584.2706826)


   

Trp His Asp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]hexanoic acid

C27H36N8O7 (584.2706826)


   

Trp His Lys Asp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]hexanamido]butanedioic acid

C27H36N8O7 (584.2706826)


   

Trp His Arg Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanoic acid

C26H36N10O6 (584.2819156)


   

Trp His Ser Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanoic acid

C26H36N10O6 (584.2819156)


   

Trp Lys Asp His

(3S)-3-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C27H36N8O7 (584.2706826)


   

Trp Lys His Asp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C27H36N8O7 (584.2706826)


   

Trp Pro Pro Trp

(2S)-2-{[(2S)-1-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C32H36N6O5 (584.2747046)


   

Trp Pro Trp Pro

(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C32H36N6O5 (584.2747046)


   

Trp Arg His Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid

C26H36N10O6 (584.2819156)


   

Trp Arg Ser His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Trp Ser His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C26H36N10O6 (584.2819156)


   

Trp Ser Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C26H36N10O6 (584.2819156)


   

Trp Trp Pro Pro

(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

C32H36N6O5 (584.2747046)


   

KYTSS

Lys Tyr Thr Ser Ser

C25H40N6O10 (584.280578)


   

Oubain

1beta,3beta,5beta,11alpha,14beta,19beta-hexahydroxy-5beta-card-20(22)-enolide 3-O-(alpha-L-rhamnopyranoside)

C29H44O12 (584.2832624)


   

For-Met-Leu-Phe-Phe-OH

For-Met-Leu-Phe-Phe-OH

C30H40N4O6S (584.266842)


   

L-755,507

L-755,507

C30H40N4O6S (584.266842)


L755507 is a potent, selective agonist of β3-AR with an IC50 of 35 nM. L755507 enhances the homology-directed repair (HDR)-mediated genome editing in CRISPR/Cas9 nickase system[1][2][3].

   

(-)-OUABAIN HYDRATE

(-)-OUABAIN HYDRATE

C29H44O12 (584.2832624)


   
   

de(cyclohexane-1-carbonyl)-thiazinotrienomycin E

de(cyclohexane-1-carbonyl)-thiazinotrienomycin E

C31H42N3O6S+ (584.2794172000001)


   

Acolongifloroside K

Acolongifloroside K

C29H44O12 (584.2832624)


D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors

   

Acolongifloroside potassium

Acolongifloroside potassium

C29H44O12 (584.2832624)


D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors

   

1-Hexyl-3-[4-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]sulfamoyl]phenyl]urea

1-Hexyl-3-[4-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]sulfamoyl]phenyl]urea

C30H40N4O6S (584.266842)


   

N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide

N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide

C32H36N6O5 (584.2747046)


   

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide

C32H36N6O5 (584.2747046)


   

(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-17-(5-hydroxyfuran-3-yl)-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,5,11,14-tetrol

(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-17-(5-hydroxyfuran-3-yl)-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,5,11,14-tetrol

C29H44O12 (584.2832624)


   
   

[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octanoate

[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octanoate

C25H44O15 (584.2680074)


   

[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] heptanoate

[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] heptanoate

C25H44O15 (584.2680074)


   

[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] hexanoate

[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] hexanoate

C25H44O15 (584.2680074)


   

[2-Pentanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] pentanoate

[2-Pentanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] pentanoate

C25H44O15 (584.2680074)


   

3-[(1S,3R,5S,8R,9S,10R,11R,13R,14S,17S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

3-[(1S,3R,5S,8R,9S,10R,11R,13R,14S,17S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

C29H44O12 (584.2832624)


   
   
   
   
   
   
   
   

[6-(acetyloxy)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-4-{[(3-methylbutanoyl)oxy]methyl}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

[6-(acetyloxy)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-4-{[(3-methylbutanoyl)oxy]methyl}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

C29H44O12 (584.2832624)


   

4-[(1r,3as,3br,5as,7s,9r,9ar,9bs,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

4-[(1r,3as,3br,5as,7s,9r,9ar,9bs,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C29H44O12 (584.2832624)


   

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3r)-oct-1-en-3-yloxy]oxan-3-yl]oxy}-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3r)-oct-1-en-3-yloxy]oxan-3-yl]oxy}-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C25H44O15 (584.2680074)


   

8-{15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene

8-{15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene

C38H36N2O4 (584.2674936)


   

asystoside

NA

C25H44O15 (584.2680074)


{"Ingredient_id": "HBIN017262","Ingredient_name": "asystoside","Alias": "NA","Ingredient_formula": "C25H44O15","Ingredient_Smile": "CCCCCC(C=C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "584.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1952","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102376770","DrugBank_id": "NA"}

   

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-[(3r)-oct-1-en-3-yloxy]-6-({[(2r,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-[(3r)-oct-1-en-3-yloxy]-6-({[(2r,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C25H44O15 (584.2680074)


   

3-[3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-1-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)but-3-en-2-yl 2-methylbut-2-enoate

3-[3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-1-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)but-3-en-2-yl 2-methylbut-2-enoate

C30H45ClO9 (584.275195)


   

(2s)-3-[(1r,2s,3s,4s,5s)-3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-1-[(4r)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]but-3-en-2-yl (2z)-2-methylbut-2-enoate

(2s)-3-[(1r,2s,3s,4s,5s)-3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-1-[(4r)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]but-3-en-2-yl (2z)-2-methylbut-2-enoate

C30H45ClO9 (584.275195)


   

2-{[4,5-dihydroxy-2-(oct-1-en-3-yloxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

2-{[4,5-dihydroxy-2-(oct-1-en-3-yloxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C25H44O15 (584.2680074)


   

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-[(3r)-oct-1-en-3-yloxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-[(3r)-oct-1-en-3-yloxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C25H44O15 (584.2680074)


   

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(oct-1-en-3-yloxy)oxan-3-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(oct-1-en-3-yloxy)oxan-3-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C25H44O15 (584.2680074)


   

4-[(1r,3as,5as,7s,9r,9ar,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

4-[(1r,3as,5as,7s,9r,9ar,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C29H44O12 (584.2832624)


   

4-[(10r)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

4-[(10r)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C29H44O12 (584.2832624)


   

4-[(1r,3as,5as,7s,9r,9ar,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2s,5r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

4-[(1r,3as,5as,7s,9r,9ar,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2s,5r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C29H44O12 (584.2832624)


   

[(1s,4as,6s,7r,7as)-6-(acetyloxy)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-4-{[(3-methylbutanoyl)oxy]methyl}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

[(1s,4as,6s,7r,7as)-6-(acetyloxy)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-4-{[(3-methylbutanoyl)oxy]methyl}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

C29H44O12 (584.2832624)