Exact Mass: 516.2188

Exact Mass Matches: 516.2188

Found 142 metabolites which its exact mass value is equals to given mass value 516.2188, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

1-(3-Methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

3-(3-methylphenyl)-1-{1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea

C32H28N4O3 (516.2161)


   

Strictosidinic acid

(2S,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

C26H32N2O9 (516.2108)


Annotation level-3 Strictosidinic acid is a natural product found in Strychnos axillaris, Hunteria zeylanica, and other organisms with data available.

   

Cucurbitoside F

Cucurbitoside F

C24H36O12 (516.2207)


   

Cucurbitoside G

Cucurbitoside G

C24H36O12 (516.2207)


   
   

Euchrenone b11

5,5-Dihydroxy-2-methoxy-6-prenyl-(2,3:7,8),(2,3:4,3)-bis(6,6-dimethylpyrano)isoflavone

C31H32O7 (516.2148)


   

Mitraphyllic acid (16鈥樏傗垎1)-??-D-gluco-pyranosyl ester

Mitraphyllic acid (16鈥樏傗垎1)-??-D-gluco-pyranosyl ester

C26H32N2O9 (516.2108)


   

5-hydroxy-6-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-n-propyl-2,2-dimethyl-2H,6H-benzo[1.2-b:3,4-b]-dipyran-2-one|7-hydroxy-8-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-n-propyl-2,2-dimethyl-2H,6H-benzo[1.2-b:3,4-b]-dipyran-2-one

5-hydroxy-6-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-n-propyl-2,2-dimethyl-2H,6H-benzo[1.2-b:3,4-b]-dipyran-2-one|7-hydroxy-8-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-n-propyl-2,2-dimethyl-2H,6H-benzo[1.2-b:3,4-b]-dipyran-2-one

C31H32O7 (516.2148)


   

5-Hydroxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-3-(2,2-dimethyl-5-methoxy-8-hydroxy-2H-1-benzopyran-6-yl)-4H,8H-benzo[1,2-b:5,4-b]dipyran-4-one

5-Hydroxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-3-(2,2-dimethyl-5-methoxy-8-hydroxy-2H-1-benzopyran-6-yl)-4H,8H-benzo[1,2-b:5,4-b]dipyran-4-one

C31H32O7 (516.2148)


   
   

(1S,7S,8S,9S)-10-chloro-11-(3-hydroxyisovaleroxy)-1,7-diisovaleroxyvaltrate chlorohydrin|chlorovaltrate L

(1S,7S,8S,9S)-10-chloro-11-(3-hydroxyisovaleroxy)-1,7-diisovaleroxyvaltrate chlorohydrin|chlorovaltrate L

C25H37ClO9 (516.2126)


   

6-O-(3,4-dimethoxybenzoyl)crescentin IV 3-O-beta-D-glucopyranoside

6-O-(3,4-dimethoxybenzoyl)crescentin IV 3-O-beta-D-glucopyranoside

C24H36O12 (516.2207)


   

10-methoxy-N(1)-methylburnamine-17-O-benzoate|10-methoxy-N1-methylburnamine-17-O-benzoate

10-methoxy-N(1)-methylburnamine-17-O-benzoate|10-methoxy-N1-methylburnamine-17-O-benzoate

C30H32N2O6 (516.226)


   

Ala Thr Tyr Tyr

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O8 (516.222)


   

Ala Tyr Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O8 (516.222)


   

Ala Tyr Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C25H32N4O8 (516.222)


   

Phe Ser Thr Tyr

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

C25H32N4O8 (516.222)


   

Phe Ser Tyr Thr

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

C25H32N4O8 (516.222)


   

Phe Thr Ser Tyr

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

C25H32N4O8 (516.222)


   

Phe Thr Tyr Ser

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

C25H32N4O8 (516.222)


   

Phe Tyr Ser Thr

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

C25H32N4O8 (516.222)


   

Phe Tyr Thr Ser

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

C25H32N4O8 (516.222)


   

His His His Ser

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

C21H28N10O6 (516.2193)


   

His His Ser His

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

C21H28N10O6 (516.2193)


   

His Met Met Val

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

C21H36N6O5S2 (516.2188)


   

His Met Val Met

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

C21H36N6O5S2 (516.2188)


   

His Ser His His

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

C21H28N10O6 (516.2193)


   

His Val Met Met

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

C21H36N6O5S2 (516.2188)


   

Met His Met Val

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

C21H36N6O5S2 (516.2188)


   

Met His Val Met

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

C21H36N6O5S2 (516.2188)


   

Met Met His Val

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

C21H36N6O5S2 (516.2188)


   

Met Met Val His

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

C21H36N6O5S2 (516.2188)


   

Met Val His Met

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

C21H36N6O5S2 (516.2188)


   

Met Val Met His

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

C21H36N6O5S2 (516.2188)


   

Ser Phe Thr Tyr

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

C25H32N4O8 (516.222)


   

Ser Phe Tyr Thr

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

C25H32N4O8 (516.222)


   

Ser His His His

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

C21H28N10O6 (516.2193)


   

Ser Thr Phe Tyr

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

C25H32N4O8 (516.222)


   

Ser Thr Tyr Phe

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

C25H32N4O8 (516.222)


   

Ser Tyr Phe Thr

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

C25H32N4O8 (516.222)


   

Ser Tyr Thr Phe

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

C25H32N4O8 (516.222)


   

Thr Ala Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O8 (516.222)


   

Thr Phe Ser Tyr

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

C25H32N4O8 (516.222)


   

Thr Phe Tyr Ser

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

C25H32N4O8 (516.222)


   

Thr Ser Phe Tyr

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

C25H32N4O8 (516.222)


   

Thr Ser Tyr Phe

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

C25H32N4O8 (516.222)


   

Thr Tyr Ala Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O8 (516.222)


   

Thr Tyr Phe Ser

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

C25H32N4O8 (516.222)


   

Thr Tyr Ser Phe

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

C25H32N4O8 (516.222)


   

Thr Tyr Tyr Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

C25H32N4O8 (516.222)


   

Val His Met Met

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

C21H36N6O5S2 (516.2188)


   

Val Met His Met

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

C21H36N6O5S2 (516.2188)


   

Val Met Met His

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

C21H36N6O5S2 (516.2188)


   

Tyr Ala Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O8 (516.222)


   

Tyr Ala Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C25H32N4O8 (516.222)


   

Tyr Phe Ser Thr

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

C25H32N4O8 (516.222)


   

Tyr Phe Thr Ser

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

C25H32N4O8 (516.222)


   

Tyr Ser Phe Thr

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

C25H32N4O8 (516.222)


   

Tyr Ser Thr Phe

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

C25H32N4O8 (516.222)


   

Tyr Thr Ala Tyr

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H32N4O8 (516.222)


   

Tyr Thr Phe Ser

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

C25H32N4O8 (516.222)


   

Tyr Thr Ser Phe

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

C25H32N4O8 (516.222)


   

Tyr Thr Tyr Ala

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

C25H32N4O8 (516.222)


   

Tyr Tyr Ala Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-hydroxybutanoic acid

C25H32N4O8 (516.222)


   

Tyr Tyr Thr Ala

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]propanoic acid

C25H32N4O8 (516.222)


   

fmoc-d-4-aminomethylphenylalanine(boc)

fmoc-d-4-aminomethylphenylalanine(boc)

C30H32N2O6 (516.226)


   

europium(3+),1,2,3,5-tetramethylcyclopenta-1,3-diene

europium(3+),1,2,3,5-tetramethylcyclopenta-1,3-diene

C27H39Eu (516.2264)


   

boc-l-4-aminomethylphenylalanine(fmoc)

boc-l-4-aminomethylphenylalanine(fmoc)

C30H32N2O6 (516.226)


   

Boc-D-4-Aminomethylphe(Fmoc)

Boc-D-4-Aminomethylphe(Fmoc)

C30H32N2O6 (516.226)


   

fmoc-d, l-phe(4-ch2nh-boc)

fmoc-d, l-phe(4-ch2nh-boc)

C30H32N2O6 (516.226)


   

Hesperadin

Hesperadin

C29H32N4O3S (516.2195)


D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors

   

D-glycero-D-gulo-Dec-1-enitol, 4,7-anhydro-1,2,3,8-tetradeoxy-6-O-(phenylmethyl)-, 9,10-dibenzoate

D-glycero-D-gulo-Dec-1-enitol, 4,7-anhydro-1,2,3,8-tetradeoxy-6-O-(phenylmethyl)-, 9,10-dibenzoate

C31H32O7 (516.2148)


   

3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

C26H32N2O9 (516.2108)


   

(3alphaS,21S)-strictosidinate

(3alphaS,21S)-strictosidinate

C26H32N2O9 (516.2108)


   

(3alphaS,21R)-strictosidinate

(3alphaS,21R)-strictosidinate

C26H32N2O9 (516.2108)


   

(2S,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

(2S,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

C26H32N2O9 (516.2108)


   

(2R,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

(2R,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

C26H32N2O9 (516.2108)


   

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

C30H32N2O6 (516.226)


   

3-(2,5-difluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

3-(2,5-difluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

C26H30F2N4O5 (516.2184)


   

3-(2,5-difluorophenyl)-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

3-(2,5-difluorophenyl)-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

C26H30F2N4O5 (516.2184)


   

3-(2,5-difluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

3-(2,5-difluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

C26H30F2N4O5 (516.2184)


   

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

C27H33FN2O5S (516.2094)


   

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

C27H33FN2O5S (516.2094)


   

N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

C27H33FN2O5S (516.2094)


   

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

C27H33FN2O5S (516.2094)


   

3-(2,5-difluorophenyl)-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

3-(2,5-difluorophenyl)-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

C26H30F2N4O5 (516.2184)


   

3-(2,5-difluorophenyl)-1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

3-(2,5-difluorophenyl)-1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

C26H30F2N4O5 (516.2184)


   

3-(2,5-difluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

3-(2,5-difluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

C26H30F2N4O5 (516.2184)


   

3-(2,5-difluorophenyl)-1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

3-(2,5-difluorophenyl)-1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

C26H30F2N4O5 (516.2184)


   

3-(2,5-difluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

3-(2,5-difluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

C26H30F2N4O5 (516.2184)


   

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

C27H33FN2O5S (516.2094)


   

N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

C27H33FN2O5S (516.2094)


   

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

C27H33FN2O5S (516.2094)


   

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

C27H33FN2O5S (516.2094)


   

2-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

2-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

C29H29FN4O4 (516.2173)


   

2-fluoro-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

2-fluoro-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

C29H29FN4O4 (516.2173)


   

2-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

2-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

C29H29FN4O4 (516.2173)


   

2-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

2-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

C29H29FN4O4 (516.2173)


   

2-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

2-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

C29H29FN4O4 (516.2173)


   

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

C30H32N2O6 (516.226)


   

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

C30H32N2O6 (516.226)


   

2-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

2-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

C29H29FN4O4 (516.2173)


   

2-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

2-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

C29H29FN4O4 (516.2173)


   

2-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

2-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

C29H29FN4O4 (516.2173)


   

1-[(5S,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-chlorophenyl)urea

1-[(5S,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-chlorophenyl)urea

C26H33ClN4O5 (516.2139)


   

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

C30H32N2O6 (516.226)


   

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

C30H32N2O6 (516.226)


   

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

C30H32N2O6 (516.226)


   

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

C30H32N2O6 (516.226)


   

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide

C30H32N2O6 (516.226)


   

[2,4-dihydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]methanone

[2,4-dihydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]methanone

C31H32O7 (516.2148)


   

Smgdg O-9:0_3:0

Smgdg O-9:0_3:0

C21H40O12S (516.224)


   

Smgdg O-8:0_4:0

Smgdg O-8:0_4:0

C21H40O12S (516.224)


   

Smgdg O-10:0_2:0

Smgdg O-10:0_2:0

C21H40O12S (516.224)


   

ST 18:1;O6;GlcA

ST 18:1;O6;GlcA

C24H36O12 (516.2207)


   

ST 18:2;O7;Hex

ST 18:2;O7;Hex

C24H36O12 (516.2207)


   
   

BI-2852

BI-2852

C31H28N6O2 (516.2274)


BI-2852 is a KRAS inhibitor for the switch I/II pocket (SI/II-pocket) by structure-based agent design with nanomolar affinity. BI-2852 is mechanistically distinct from covalent KRASG12C inhibitor (binds to switch II pocket) and binds ten-fold more strongly to active KRASG12D versus KRASwt (740 nM vs 7.5 μM). BI-2852 blocks GEF, GAP, and effector interactions with KRAS, leading to inhibition of downstream signaling and an antiproliferative effect in KRAS mutant cells.

   

[(3s,4r,5s)-5-{[(2s,3r,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2s)-2-methylbutanoate

[(3s,4r,5s)-5-{[(2s,3r,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2s)-2-methylbutanoate

C24H36O12 (516.2207)


   

11-isopropyl-4,7-dimethyl-18-(sec-butyl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

11-isopropyl-4,7-dimethyl-18-(sec-butyl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

C24H32N6O5S (516.2155)


   

(2s)-4-{5-hydroxy-8,8-dimethyl-2-oxo-4-propylpyrano[2,3-h]chromen-6-yl}-2-methyl-4-oxobutyl (2e)-3-phenylprop-2-enoate

(2s)-4-{5-hydroxy-8,8-dimethyl-2-oxo-4-propylpyrano[2,3-h]chromen-6-yl}-2-methyl-4-oxobutyl (2e)-3-phenylprop-2-enoate

C31H32O7 (516.2148)


   

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2s)-2-methylbutanoate

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2s)-2-methylbutanoate

C24H36O12 (516.2207)


   

4-{5-hydroxy-8,8-dimethyl-2-oxo-4-propylpyrano[2,3-h]chromen-6-yl}-2-methyl-4-oxobutyl 3-phenylprop-2-enoate

4-{5-hydroxy-8,8-dimethyl-2-oxo-4-propylpyrano[2,3-h]chromen-6-yl}-2-methyl-4-oxobutyl 3-phenylprop-2-enoate

C31H32O7 (516.2148)


   

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

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

C26H32N2O9 (516.2108)


   

(4s)-4-({[(1s,2r,3ar)-4,9b-dihydroxy-1-methoxy-3-methyl-2-(methyl-c-hydroxycarbonimidoyl)-1h,2h-pyrrolo[2,3-c]quinolin-3a-yl](hydroxy)methylidene}amino)-7-methyl-5-oxooct-6-enoic acid

(4s)-4-({[(1s,2r,3ar)-4,9b-dihydroxy-1-methoxy-3-methyl-2-(methyl-c-hydroxycarbonimidoyl)-1h,2h-pyrrolo[2,3-c]quinolin-3a-yl](hydroxy)methylidene}amino)-7-methyl-5-oxooct-6-enoic acid

C25H32N4O8 (516.222)


   

[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 2-methylbutanoate

[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 2-methylbutanoate

C24H36O12 (516.2207)


   

(1r,2r,3r,4s)-4-hydroxy-3-(hydroxymethyl)-4-methyl-2-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclopentyl 3,4-dimethoxybenzoate

(1r,2r,3r,4s)-4-hydroxy-3-(hydroxymethyl)-4-methyl-2-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclopentyl 3,4-dimethoxybenzoate

C24H36O12 (516.2207)


   

(4s,7r,8s,11s,18r)-18-[(2s)-butan-2-yl]-11-isopropyl-4,7-dimethyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

(4s,7r,8s,11s,18r)-18-[(2s)-butan-2-yl]-11-isopropyl-4,7-dimethyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

C24H32N6O5S (516.2155)


   

(4s)-4-({[(1r,2r,3ar)-4,9b-dihydroxy-1-methoxy-3-methyl-2-(methyl-c-hydroxycarbonimidoyl)-1h,2h-pyrrolo[2,3-c]quinolin-3a-yl](hydroxy)methylidene}amino)-7-methyl-5-oxooct-6-enoic acid

(4s)-4-({[(1r,2r,3ar)-4,9b-dihydroxy-1-methoxy-3-methyl-2-(methyl-c-hydroxycarbonimidoyl)-1h,2h-pyrrolo[2,3-c]quinolin-3a-yl](hydroxy)methylidene}amino)-7-methyl-5-oxooct-6-enoic acid

C25H32N4O8 (516.222)


   

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

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

C26H32N2O9 (516.2108)


   

11-isopropyl-7,18-dimethyl-4-(sec-butyl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),16,19(22)-octaene-2,9,16-triol

11-isopropyl-7,18-dimethyl-4-(sec-butyl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),16,19(22)-octaene-2,9,16-triol

C24H32N6O5S (516.2155)


   

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

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

C26H32N2O9 (516.2108)


   

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate

[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate

C24H36O12 (516.2207)


   

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

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

C26H32N2O9 (516.2108)


   

(4s,11s,15s,18s)-4-[(2s)-butan-2-yl]-11-isopropyl-7,18-dimethyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),16,19(22)-octaene-2,9,16-triol

(4s,11s,15s,18s)-4-[(2s)-butan-2-yl]-11-isopropyl-7,18-dimethyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),16,19(22)-octaene-2,9,16-triol

C24H32N6O5S (516.2155)


   

4-hydroxy-3-(hydroxymethyl)-4-methyl-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclopentyl 3,4-dimethoxybenzoate

4-hydroxy-3-(hydroxymethyl)-4-methyl-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclopentyl 3,4-dimethoxybenzoate

C24H36O12 (516.2207)


   

[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate

[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate

C24H36O12 (516.2207)


   

5-hydroxy-3-(8-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)pyrano[2,3-h]chromen-4-one

5-hydroxy-3-(8-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)pyrano[2,3-h]chromen-4-one

C31H32O7 (516.2148)


   

methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

methyl (14e)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

C30H32N2O6 (516.226)


   

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

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

C26H32N2O9 (516.2108)


   

(4s,7r,8s,18r)-18-[(2s)-butan-2-yl]-11-isopropyl-4,7-dimethyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

(4s,7r,8s,18r)-18-[(2s)-butan-2-yl]-11-isopropyl-4,7-dimethyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

C24H32N6O5S (516.2155)


   

methyl (1r,9s,11s,14e,15s,17s,19r)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

methyl (1r,9s,11s,14e,15s,17s,19r)-19-[(benzoyloxy)methyl]-14-ethylidene-6-methoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

C30H32N2O6 (516.226)