Exact Mass: 548.2230662

Exact Mass Matches: 548.2230662

Found 175 metabolites which its exact mass value is equals to given mass value 548.2230662, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Bruceantin

methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

C28H36O11 (548.2257506)


Bruceantin is a triterpenoid. Bruceantin is a natural product found in Brucea javanica and Brucea antidysenterica with data available. Bruceantin is a triterpene quassinoid antineoplastic antibiotic isolated from the plant Brucea antidysenterica. Bruceantin inhibits the peptidyl transferase elongation reaction, resulting in decreased protein and DNA synthesis. Bruceantin also has antiamoebic and antimalarial activity. (NCI04) C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1974 - Quassinoid Agent C784 - Protein Synthesis Inhibitor C1907 - Drug, Natural Product Bruceantin (NSC165563) can be extracted from B. javanica and has inhibitory effects on B16 melanoma, colon cancer 38, L1210 and leukemia P388. Bruceantin (NSC165563) can be extracted from B. javanica and has inhibitory effects on B16 melanoma, colon cancer 38, L1210 and leukemia P388.

   

12-O-Nortrilobine

(+)-O12-Demethyltrilobine

C34H32N2O5 (548.2311102)


   

Apateline

O12-Demethyltelobine

C34H32N2O5 (548.2311102)


   
   
   

3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside

3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside

C28H36O11 (548.2257506)


   

Nortrilobine

N2-Demethyltrilobine

C34H32N2O5 (548.2311102)


   

[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 5,10-diacetate 6-benzoate

[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 5,10-diacetate 6-benzoate

C28H36O11 (548.2257506)


   
   
   
   

Asterriquinone SU-5500

Asterriquinone SU-5500

C34H32N2O5 (548.2311102)


   

Cocsoline

2-Demethylcocsuline

C34H32N2O5 (548.2311102)


   
   

12-O-acetylbriviolide D

12-O-acetylbriviolide D

C28H36O11 (548.2257506)


   
   

1alpha,2alpha,6beta-Triacetoxy-9alpha-benzoyloxy-8alpha,15-dihydroxydihydro-beta-agarofuran

1alpha,2alpha,6beta-Triacetoxy-9alpha-benzoyloxy-8alpha,15-dihydroxydihydro-beta-agarofuran

C28H36O11 (548.2257506)


   

(1alpha,11beta)-23-ethoxy-1,2,21,23-tetrahydro-1,11-dihydroxy-21-oxoobacunone|23-ethoxy-21,23-dihydro-21-oxoclausenarin

(1alpha,11beta)-23-ethoxy-1,2,21,23-tetrahydro-1,11-dihydroxy-21-oxoobacunone|23-ethoxy-21,23-dihydro-21-oxoclausenarin

C28H36O11 (548.2257506)


   

1S,4S,5S,6R,7R,8R,9S,10S-9-benzoyloxy-1,6,15-triacetoxy-4,8-dihydroxy-dihydro-beta-agarofuran

1S,4S,5S,6R,7R,8R,9S,10S-9-benzoyloxy-1,6,15-triacetoxy-4,8-dihydroxy-dihydro-beta-agarofuran

C28H36O11 (548.2257506)


   

(1S)-tetramethyl-1-O-methylnyasicoside

(1S)-tetramethyl-1-O-methylnyasicoside

C28H36O11 (548.2257506)


   
   
   
   
   

1S,4S,5S,6R,7R,8R,9S,10S-9-benzoyloxy-6,8,15-triacetoxy-1,4-dihydroxy-dihydro-beta-agarofuran

1S,4S,5S,6R,7R,8R,9S,10S-9-benzoyloxy-6,8,15-triacetoxy-1,4-dihydroxy-dihydro-beta-agarofuran

C28H36O11 (548.2257506)


   

(1R*,2R*,3R*,5Z,7S*,8(17)E,9S*,10S*,11R*,12S*,14S*)-2,3,9,14-tetraacetoxy-11,12-epoxybriara-5,8(17)-dien-18-one|excavatolide S

(1R*,2R*,3R*,5Z,7S*,8(17)E,9S*,10S*,11R*,12S*,14S*)-2,3,9,14-tetraacetoxy-11,12-epoxybriara-5,8(17)-dien-18-one|excavatolide S

C28H36O11 (548.2257506)


   

(1R*)-1-(furan-3-yl)-2-[(6aR,7R,8S,9R,10aS)-9-(beta-D-ribo-hexopyranosyl-3-uloseoxy)-3,5,6,6a,7,8,9,10-octahydro-7,8-dimethyl-3-oxonaphtho[1,8a-c]furan-7-yl]ethyl acetate|15,16-epoxy-12alpha-O-acetylcleroda-3,13(16),14-triene-18,19-olide-7alpha-O-beta-D-ribohexo-3-ulopyranoside|splendidin C

(1R*)-1-(furan-3-yl)-2-[(6aR,7R,8S,9R,10aS)-9-(beta-D-ribo-hexopyranosyl-3-uloseoxy)-3,5,6,6a,7,8,9,10-octahydro-7,8-dimethyl-3-oxonaphtho[1,8a-c]furan-7-yl]ethyl acetate|15,16-epoxy-12alpha-O-acetylcleroda-3,13(16),14-triene-18,19-olide-7alpha-O-beta-D-ribohexo-3-ulopyranoside|splendidin C

C28H36O11 (548.2257506)


   
   

Asp Gln Thr Trp

(3S)-3-amino-3-{[(1S)-3-carbamoyl-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}propanoic acid

C24H32N6O9 (548.2230662)


   

Asp Gln Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C24H32N6O9 (548.2230662)


   

Asp Thr Gln Trp

(3S)-3-amino-3-{[(1S,2R)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C24H32N6O9 (548.2230662)


   

Asp Thr Trp Gln

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Asp Trp Gln Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C24H32N6O9 (548.2230662)


   

Asp Trp Thr Gln

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Glu His Thr Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu His Tyr Thr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Asn Thr Trp

(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Asn Trp Thr

(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Gln Ser Trp

(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Gln Trp Ser

(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Ser Gln Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Ser Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Glu Thr His Tyr

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Thr Asn Trp

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Thr Trp Asn

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Thr Tyr His

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Trp Asn Thr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Trp Gln Ser

(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Trp Ser Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Glu Trp Thr Asn

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Tyr His Thr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Glu Tyr Thr His

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Phe Gly Tyr Tyr

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

C29H32N4O7 (548.2270882)


   

Phe Tyr Gly Tyr

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

C29H32N4O7 (548.2270882)


   

Phe Tyr Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C29H32N4O7 (548.2270882)


   

Gly Phe Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H32N4O7 (548.2270882)


   

Gly Tyr Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H32N4O7 (548.2270882)


   

Gly Tyr Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C29H32N4O7 (548.2270882)


   

His Glu Thr Tyr

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

His Glu Tyr Thr

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

His Thr Glu Tyr

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

His Thr Tyr Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

His Tyr Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

His Tyr Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Asn Glu Thr Trp

(4S)-4-[(2S)-2-amino-3-carbamoylpropanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Asn Glu Trp Thr

(4S)-4-[(2S)-2-amino-3-carbamoylpropanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Asn Thr Glu Trp

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Asn Thr Trp Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Asn Trp Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Asn Trp Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Gln Asp Thr Trp

(3S)-3-[(2S)-2-amino-4-carbamoylbutanamido]-3-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C24H32N6O9 (548.2230662)


   

Gln Asp Trp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoic acid

C24H32N6O9 (548.2230662)


   

Gln Glu Ser Trp

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Gln Glu Trp Ser

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Gln Ser Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Gln Ser Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Gln Thr Asp Trp

(3S)-3-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H32N6O9 (548.2230662)


   

Gln Thr Trp Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H32N6O9 (548.2230662)


   

Gln Trp Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C24H32N6O9 (548.2230662)


   

Gln Trp Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Gln Trp Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Gln Trp Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]butanedioic acid

C24H32N6O9 (548.2230662)


   

Ser Glu Gln Trp

(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Ser Glu Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Ser Gln Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Ser Gln Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Ser Trp Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Ser Trp Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Thr Asp Gln Trp

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}propanoic acid

C24H32N6O9 (548.2230662)


   

Thr Asp Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Thr Glu His Tyr

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Thr Glu Asn Trp

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Thr Glu Trp Asn

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Thr Glu Tyr His

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Thr His Glu Tyr

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Thr His Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Thr Asn Glu Trp

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Thr Asn Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Thr Gln Asp Trp

(3S)-3-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C24H32N6O9 (548.2230662)


   

Thr Gln Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C24H32N6O9 (548.2230662)


   

Thr Trp Asp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Thr Trp Glu Asn

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Thr Trp Asn Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Thr Trp Gln Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]butanedioic acid

C24H32N6O9 (548.2230662)


   

Thr Tyr Glu His

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Thr Tyr His Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Trp Asp Gln Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C24H32N6O9 (548.2230662)


   

Trp Asp Thr Gln

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Trp Glu Asn Thr

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-2-carbamoyl-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Trp Glu Gln Ser

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Trp Glu Ser Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Trp Glu Thr Asn

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Trp Asn Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Trp Asn Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Trp Gln Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C24H32N6O9 (548.2230662)


   

Trp Gln Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Trp Gln Ser Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Trp Gln Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]butanedioic acid

C24H32N6O9 (548.2230662)


   

Trp Ser Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Trp Ser Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Trp Thr Asp Gln

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C24H32N6O9 (548.2230662)


   

Trp Thr Glu Asn

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Trp Thr Asn Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Trp Thr Gln Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]butanedioic acid

C24H32N6O9 (548.2230662)


   

Tyr Glu His Thr

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Tyr Glu Thr His

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Tyr Phe Gly Tyr

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

C29H32N4O7 (548.2270882)


   

Tyr Phe Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C29H32N4O7 (548.2270882)


   

Tyr Gly Phe Tyr

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

C29H32N4O7 (548.2270882)


   

Tyr Gly Tyr Phe

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

C29H32N4O7 (548.2270882)


   

Tyr His Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Tyr His Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Tyr Thr Glu His

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C24H32N6O9 (548.2230662)


   

Tyr Thr His Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C24H32N6O9 (548.2230662)


   

Tyr Tyr Phe Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]acetic acid

C29H32N4O7 (548.2270882)


   

Tyr Tyr Gly Phe

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

C29H32N4O7 (548.2270882)


   

GRSDD

Gly Arg Ser Asp Asp

C19H32N8O11 (548.2190442)


   

3β-ACETOXY-23-BROMO-ISOALLOSPIROST-9 (11)-ENE-12-ONE

3β-ACETOXY-23-BROMO-ISOALLOSPIROST-9 (11)-ENE-12-ONE

C29H41BrO5 (548.2137196)


   

quinine bisulfate heptahydrate

quinine bisulfate heptahydrate

C20H40N2O13S (548.225099)


   

(+)-N,N-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE)

(+)-N,N-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE)

C30H32N2O8 (548.2158552)


   
   

Bruceanol F

Bruceanol F

C28H36O11 (548.2257506)


A quassinoid isolated from Brucea antidysenterica and has been shown to exhibit in vitro cytotoxicity towards several human tumour cell lines.

   

Picras-3-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-,methyl ester, (1beta,11beta,12alpha,15beta(E))-

Picras-3-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-,methyl ester, (1beta,11beta,12alpha,15beta(E))-

C28H36O11 (548.2257506)


   

1-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

1-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)


   

(1S)-N1-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]-1,2-dicarboxamide

(1S)-N1-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]-1,2-dicarboxamide

C28H29FN6O5 (548.2183355999999)


   

bruceanol D

bruceanol D

C28H36O11 (548.2257506)


A quassinoid natural product found in Brucea antidysenterica consisting of a heteropentacyclic skeleton containing a delta-lactone moiety which is substituted at the alpha-carbon by a (2E)-3,4-dimethylpent-2-enoyloxy group. It shows significant in vitro cytotoxicity towards several human tumour cell lines.