Exact Mass: 544.2421

Exact Mass Matches: 544.2421

Found 177 metabolites which its exact mass value is equals to given mass value 544.2421, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Morellin

2-Butenal, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1R-[1I<<,1(Z),3aEC,5I<<,14aS*]]-

C33H36O7 (544.2461)


Morellin is found in fruits. Morellin is a constituent of seeds of Garcinia morella (batuan)

   

Cinncassiol A 19-glucoside

2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-13-oxatetracyclo[5.5.3.0¹,⁸.0²,⁶]pentadec-3-en-14-one

C26H40O12 (544.252)


Cinncassiol A 19-glucoside is found in herbs and spices. Cinncassiol A 19-glucoside is a constituent of Cinnamomum species Constituent of Cinnamomum subspecies Cinncassiol A 19-glucoside is found in herbs and spices.

   

Mimic A

2-[(3-{[(tert-butoxy)(hydroxy)methylidene]amino}-2-hydroxy-5-methylhex-4-enoyl)oxy]-5-oxo-1,2,3,5,8,8a-hexahydroindolizin-8-yl 3-methoxybenzoic acid

C28H36N2O9 (544.2421)


   
   

Agnucastoside B

Agnucastoside B

C26H40O12 (544.252)


   

alangicadinoside G

alangicadinoside G

C26H40O12 (544.252)


   

Tri-Me ether-Isocycloheterophyllin

Tri-Me ether-Isocycloheterophyllin

C33H36O7 (544.2461)


   

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

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

C27H41ClO9 (544.2439)


   
   

Adenostemmoside E

Adenostemmoside E

C26H40O12 (544.252)


   

proceralabdanoside

proceralabdanoside

C26H40O12 (544.252)


   

1(10),4-germacradien-6,12-olide-15-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|ainsliaolide C

1(10),4-germacradien-6,12-olide-15-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|ainsliaolide C

C26H40O12 (544.252)


   

dennisic acid A

dennisic acid A

C33H36O7 (544.2461)


   

(1S,4S,5R,6R,9S)-13-O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranosyl-13-hydroxyallocedra-2,11-dione

(1S,4S,5R,6R,9S)-13-O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranosyl-13-hydroxyallocedra-2,11-dione

C26H40O12 (544.252)


   

7-desacetyl-7-benzoylgedunin

7-desacetyl-7-benzoylgedunin

C33H36O7 (544.2461)


   

2-[(3aR,3bR,4R,5S,7aS,8R,8aR)-1,3a,3b,4,5,6,7,7a,8,8a-decahydro-3a,3b,7a,8a-tetrahydroxy-3,5,8-trimethyl-10-oxo-4,8-(epoxyethano)cyclopenta[a]inden-2-yl]propyl beta-D-glucopyranoside|cinnacaside

2-[(3aR,3bR,4R,5S,7aS,8R,8aR)-1,3a,3b,4,5,6,7,7a,8,8a-decahydro-3a,3b,7a,8a-tetrahydroxy-3,5,8-trimethyl-10-oxo-4,8-(epoxyethano)cyclopenta[a]inden-2-yl]propyl beta-D-glucopyranoside|cinnacaside

C26H40O12 (544.252)


   

rabdoside 2

rabdoside 2

C26H40O12 (544.252)


   

Lys Asp Pro Ala Asp

Lys Asp Pro Ala Asp

C22H36N6O10 (544.2493)


   

C26H40O12

NCGC00380886-01_C26H40O12_

C26H40O12 (544.252)


   

C26H40O12_7-Hydroxy-1-({3-O-[(2E)-8-hydroxy-2,6-dimethyl-2-octenoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

NCGC00385717-01_C26H40O12_7-Hydroxy-1-({3-O-[(2E)-8-hydroxy-2,6-dimethyl-2-octenoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

C26H40O12 (544.252)


   

isodolichantoside

isodolichantoside

C28H36N2O9 (544.2421)


   

Cys Phe Ile Tyr

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Cys Phe Leu Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Cys Phe Tyr Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Cys Phe Tyr Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Cys Ile Phe Tyr

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Cys Ile Tyr Phe

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Cys Leu Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Cys Leu Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Cys Tyr Phe Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Cys Tyr Phe Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Cys Tyr Ile Phe

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Cys Tyr Leu Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Phe Cys Ile Tyr

(2S)-2-[(2S,3S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Phe Cys Leu Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Phe Cys Tyr Ile

(2S,3S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Phe Cys Tyr Leu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Phe Phe Met Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C27H36N4O6S (544.2355)


   

Phe Phe Thr Met

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C27H36N4O6S (544.2355)


   

Phe His Asn Gln

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

C24H32N8O7 (544.2394)


   

Phe His Gln Asn

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

C24H32N8O7 (544.2394)


   

Phe Ile Cys Tyr

(2S)-2-[(2R)-2-[(2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Phe Ile Tyr Cys

(2R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Phe Leu Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Phe Leu Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Phe Met Phe Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-hydroxybutanoic acid

C27H36N4O6S (544.2355)


   

Phe Met Thr Phe

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Phe Asn His Gln

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

C24H32N8O7 (544.2394)


   

Phe Asn Gln His

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

C24H32N8O7 (544.2394)


   

Phe Gln His Asn

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

C24H32N8O7 (544.2394)


   

Phe Gln Asn His

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

C24H32N8O7 (544.2394)


   

Phe Thr Phe Met

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C27H36N4O6S (544.2355)


   

Phe Thr Met Phe

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Phe Tyr Cys Ile

(2S,3S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Phe Tyr Cys Leu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Phe Tyr Ile Cys

(2R)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Phe Tyr Leu Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Gly Pro Trp Trp

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

C29H32N6O5 (544.2434)


   

Gly Trp Pro Trp

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

C29H32N6O5 (544.2434)


   

Gly Trp Trp Pro

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

C29H32N6O5 (544.2434)


   

His Phe Asn Gln

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

C24H32N8O7 (544.2394)


   

His Phe Gln Asn

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

C24H32N8O7 (544.2394)


   

His Asn Phe Gln

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

C24H32N8O7 (544.2394)


   

His Asn Gln Phe

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

C24H32N8O7 (544.2394)


   

His Gln Phe Asn

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

C24H32N8O7 (544.2394)


   

His Gln Asn Phe

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

C24H32N8O7 (544.2394)


   

Ile Cys Phe Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Ile Cys Tyr Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Ile Phe Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Ile Phe Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Ile Tyr Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Ile Tyr Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Leu Cys Phe Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Leu Cys Tyr Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Leu Phe Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H36N4O6S (544.2355)


   

Leu Phe Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Leu Tyr Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Leu Tyr Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Met Phe Phe Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-hydroxybutanoic acid

C27H36N4O6S (544.2355)


   

Met Phe Thr Phe

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Met Thr Phe Phe

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Asn Phe His Gln

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

C24H32N8O7 (544.2394)


   

Asn Phe Gln His

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

C24H32N8O7 (544.2394)


   

Asn His Phe Gln

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

C24H32N8O7 (544.2394)


   

Asn His Gln Phe

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

C24H32N8O7 (544.2394)


   

Asn Gln Phe His

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

C24H32N8O7 (544.2394)


   

Asn Gln His Phe

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

C24H32N8O7 (544.2394)


   

Pro Gly Trp Trp

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

C29H32N6O5 (544.2434)


   

Pro Trp Gly Trp

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

C29H32N6O5 (544.2434)


   

Pro Trp Trp Gly

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

C29H32N6O5 (544.2434)


   

Gln Phe His Asn

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

C24H32N8O7 (544.2394)


   

Gln Phe Asn His

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

C24H32N8O7 (544.2394)


   

Gln His Phe Asn

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

C24H32N8O7 (544.2394)


   

Gln His Asn Phe

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

C24H32N8O7 (544.2394)


   

Gln Asn Phe His

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

C24H32N8O7 (544.2394)


   

Gln Asn His Phe

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

C24H32N8O7 (544.2394)


   

Thr Phe Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C27H36N4O6S (544.2355)


   

Thr Phe Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Thr Met Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Trp Gly Pro Trp

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

C29H32N6O5 (544.2434)


   

Trp Gly Trp Pro

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

C29H32N6O5 (544.2434)


   

Trp Pro Gly Trp

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

C29H32N6O5 (544.2434)


   

Trp Pro Trp Gly

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

C29H32N6O5 (544.2434)


   

Trp Trp Gly Pro

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

C29H32N6O5 (544.2434)


   

Trp Trp Pro Gly

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

C29H32N6O5 (544.2434)


   

Tyr Cys Phe Ile

(2S,3S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Tyr Cys Phe Leu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-4-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Tyr Cys Ile Phe

(2S)-2-[(2S,3S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-methylpentanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Tyr Cys Leu Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-methylpentanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Tyr Phe Cys Ile

(2S,3S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-3-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Tyr Phe Cys Leu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-4-methylpentanoic acid

C27H36N4O6S (544.2355)


   

Tyr Phe Ile Cys

(2R)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Tyr Phe Leu Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-methylpentanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Tyr Ile Cys Phe

(2S)-2-[(2R)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Tyr Ile Phe Cys

(2R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

Tyr Leu Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C27H36N4O6S (544.2355)


   

Tyr Leu Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C27H36N4O6S (544.2355)


   

KDPAD

Lys Asp Pro Ala Asp

C22H36N6O10 (544.2493)


   

Cinncassiol A 19-glucoside

2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-13-oxatetracyclo[5.5.3.0^{1,8}.0^{2,6}]pentadec-3-en-14-one

C26H40O12 (544.252)


   

1,5-Methano-11H-furo(3,2-g)pyrano(3,2-b)xanthene-3a(4H)-crotonaldehyde, 1,2,5,7-tetrahydro-8-hydroxy-alpha,2,2,11,11-pentamethyl-13-(3-methyl-2-butenyl)-4,7-dioxo-, trans-

1,5-Methano-11H-furo(3,2-g)pyrano(3,2-b)xanthene-3a(4H)-crotonaldehyde, 1,2,5,7-tetrahydro-8-hydroxy-alpha,2,2,11,11-pentamethyl-13-(3-methyl-2-butenyl)-4,7-dioxo-, trans-

C33H36O7 (544.2461)


   

[2-[2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-8-yl] 3-methoxybenzoate

[2-[2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-8-yl] 3-methoxybenzoate

C28H36N2O9 (544.2421)


   

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-3a,4,5,7-tetrahydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methylbut-2-enal

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-3a,4,5,7-tetrahydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methylbut-2-enal

C33H36O7 (544.2461)


   

7-Deacetyl-7-benzoylgedunin

7-Deacetyl-7-benzoylgedunin

C33H36O7 (544.2461)


A limonoid that is gedunin in which the acetoxy group at position 7 is replaced by a benzoyloxy group. Isolated from Azadirachta indica, it exhibits cytotoxic activity against HL60 leukemia cells.

   

(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C29H37FN2O5S (544.2407)


   

(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C29H37FN2O5S (544.2407)


   

(2S)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C29H37FN2O5S (544.2407)


   

(2R)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C29H37FN2O5S (544.2407)


   

(2S)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C29H37FN2O5S (544.2407)


   

(2R)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C29H37FN2O5S (544.2407)


   

(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C29H37FN2O5S (544.2407)


   

(2S)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C29H37FN2O5S (544.2407)


   

[4-[Hydroxy(diphenyl)methyl]-1-piperidinyl]-[4-[hydroxy(diphenyl)methyl]-1-triazolyl]methanone

[4-[Hydroxy(diphenyl)methyl]-1-piperidinyl]-[4-[hydroxy(diphenyl)methyl]-1-triazolyl]methanone

C34H32N4O3 (544.2474)


   

[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C26H41O10P (544.2437)


   

[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C26H41O10P (544.2437)


   

Morellin

(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-3a,4,5,7-tetrahydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methylbut-2-enal

C33H36O7 (544.2461)


   
   
   
   

ST 20:1;O6;GlcA

ST 20:1;O6;GlcA

C26H40O12 (544.252)


   

ST 20:2;O7;Hex

ST 20:2;O7;Hex

C26H40O12 (544.252)


   
   

VHL-IN-1

VHL-IN-1

C28H37FN4O4S (544.2519)


VHL-IN-1 (compound 30) is a ubiquitin E3 ligase von Hippel-Lindau (VHL) inhibitor (dissociation constant Kd=37 nM) that stabilizes and induces HIF-1α transcriptional activity. VHL-IN-1 has potential as a HIF-1α stabilizer and degrader of proteolytically targeted chimeras (PROTACs)[1].

   

methyl (4s,5s,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5s,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C28H36N2O9 (544.2421)


   

methyl (4s,5r,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5r,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C28H36N2O9 (544.2421)


   

2-[2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate

2-[2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate

C27H41ClO9 (544.2439)


   

methyl (4s,5r,6s)-5-ethenyl-4-{[(1r)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5r,6s)-5-ethenyl-4-{[(1r)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C28H36N2O9 (544.2421)


   

(3s,5s)-2-[(1s,2r,3r,4r,5r)-2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate

(3s,5s)-2-[(1s,2r,3r,4r,5r)-2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate

C27H41ClO9 (544.2439)


   

agnucastoside b

NA

C26H40O12 (544.252)


{"Ingredient_id": "HBIN014874","Ingredient_name": "agnucastoside b","Alias": "NA","Ingredient_formula": "C26H40O12","Ingredient_Smile": "CC(CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(CCC3(C)O)C(=CO2)C(=O)O)O)O)O)CCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "751","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

methyl 5-ethenyl-4-({2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl 5-ethenyl-4-({2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C28H36N2O9 (544.2421)


   

12-methyl-6-methylidene-12-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,13,15-pentol

12-methyl-6-methylidene-12-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,13,15-pentol

C26H40O12 (544.252)


   

2-[3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate

2-[3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate

C27H41ClO9 (544.2439)


   

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

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

C33H36O7 (544.2461)


   

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

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

C33H36O7 (544.2461)


   

(3r,5r)-6-[(1r,2s,3s,4s,5s)-2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-2,5-dihydroxy-2-methylhept-6-en-3-yl (2z)-2-methylbut-2-enoate

(3r,5r)-6-[(1r,2s,3s,4s,5s)-2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-2,5-dihydroxy-2-methylhept-6-en-3-yl (2z)-2-methylbut-2-enoate

C27H41ClO9 (544.2439)


   

(3s,5r)-2-[(1r,2s,3s,4s,5s)-3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate

(3s,5r)-2-[(1r,2s,3s,4s,5s)-3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate

C27H41ClO9 (544.2439)


   

(1r,5r,6s,9s,10r,11r,15r)-9,10,11,15-tetrahydroxy-1,6,12-trimethyl-13-[(2s)-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-4-oxatetracyclo[7.6.0.0⁵,¹⁰.0¹¹,¹⁵]pentadec-12-en-3-one

(1r,5r,6s,9s,10r,11r,15r)-9,10,11,15-tetrahydroxy-1,6,12-trimethyl-13-[(2s)-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-4-oxatetracyclo[7.6.0.0⁵,¹⁰.0¹¹,¹⁵]pentadec-12-en-3-one

C26H40O12 (544.252)


   

9,10,11,15-tetrahydroxy-1,6,12-trimethyl-13-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-4-oxatetracyclo[7.6.0.0⁵,¹⁰.0¹¹,¹⁵]pentadec-12-en-3-one

9,10,11,15-tetrahydroxy-1,6,12-trimethyl-13-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-4-oxatetracyclo[7.6.0.0⁵,¹⁰.0¹¹,¹⁵]pentadec-12-en-3-one

C26H40O12 (544.252)


   

(2z)-4-[(1s,2s,19r)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal

(2z)-4-[(1s,2s,19r)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal

C33H36O7 (544.2461)


   

(2s,3r,4s,5s,6r)-2-{[(5s,8r)-1-hydroxy-5-[(2s)-1-hydroxypropan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-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-{[(5s,8r)-1-hydroxy-5-[(2s)-1-hydroxypropan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C26H40O12 (544.252)


   

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,11,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,11,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

C26H40O12 (544.252)


   

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

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

C33H36O7 (544.2461)


   

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

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

C33H36O7 (544.2461)


   

(1s,2s,5r,7r,8s,9s,10s,11r,12r,13s,15r)-12-methyl-6-methylidene-12-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,13,15-pentol

(1s,2s,5r,7r,8s,9s,10s,11r,12r,13s,15r)-12-methyl-6-methylidene-12-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,13,15-pentol

C26H40O12 (544.252)


   

2-{[1-hydroxy-5-(1-hydroxypropan-2-yl)-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

2-{[1-hydroxy-5-(1-hydroxypropan-2-yl)-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C26H40O12 (544.252)


   

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,4s,5r,9r,10r,11s,13s,14s)-10,11,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,4s,5r,9r,10r,11s,13s,14s)-10,11,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

C26H40O12 (544.252)


   

7-hydroxy-7-methyl-1-[(3,4,5-trihydroxy-6-{[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxy]methyl}oxan-2-yl)oxy]-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

7-hydroxy-7-methyl-1-[(3,4,5-trihydroxy-6-{[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxy]methyl}oxan-2-yl)oxy]-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C26H40O12 (544.252)


   

(2z)-4-[(2s)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal

(2z)-4-[(2s)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enal

C33H36O7 (544.2461)


   

methyl (4s,5r,6s)-5-ethenyl-4-{[(1r)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5r,6s)-5-ethenyl-4-{[(1r)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C28H36N2O9 (544.2421)


   

(2s,3r,4s,5s,6r)-2-{[(5s,8r)-1-hydroxy-5-[(2r)-1-hydroxypropan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-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-{[(5s,8r)-1-hydroxy-5-[(2r)-1-hydroxypropan-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C26H40O12 (544.252)


   

6-[2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-2,5-dihydroxy-2-methylhept-6-en-3-yl 2-methylbut-2-enoate

6-[2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-2,5-dihydroxy-2-methylhept-6-en-3-yl 2-methylbut-2-enoate

C27H41ClO9 (544.2439)


   

methyl (4s,5r,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

methyl (4s,5r,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate

C28H36N2O9 (544.2421)


   

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

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

C33H36O7 (544.2461)


   

(1s,4as,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2e,6s)-8-hydroxy-2,6-dimethyloct-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

(1s,4as,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2e,6s)-8-hydroxy-2,6-dimethyloct-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C26H40O12 (544.252)


   

7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl benzoate

7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-en-19-yl benzoate

C33H36O7 (544.2461)


   

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

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

C33H36O7 (544.2461)