Exact Mass: 542.2468392

Exact Mass Matches: 542.2468392

Found 140 metabolites which its exact mass value is equals to given mass value 542.2468392, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Physagulin C

16-[1-(4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-6,12-dihydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.0²,⁷.0⁷,⁹.0¹²,¹⁷.0¹⁴,¹⁶]nonadec-4-en-13-yl acetic acid

C30H38O9 (542.2515698)


Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physagulin C is found in herbs and spices and fruits. Physagulin C is found in fruits. Physagulin C is a constituent of the famine food Physalis angulata (cutleaf ground cherry).

   
   

Sapxanthone

(+)-Sapxanthone

C30H38O9 (542.2515698)


   

7-Deacetoxy-7-Oxokhivorin

7-Deacetoxy-7-Oxokhivorin

C30H38O9 (542.2515698)


   

2alpha-angeloyloxy-3alpha-(2-methylbutyryloxy)-3,4-betaH-bacchotricuneatin|2alpha-angeloyloxy-3alpha-<2-methylbutyryloxy>-3,4-betaH-bacchotricuneatin

2alpha-angeloyloxy-3alpha-(2-methylbutyryloxy)-3,4-betaH-bacchotricuneatin|2alpha-angeloyloxy-3alpha-<2-methylbutyryloxy>-3,4-betaH-bacchotricuneatin

C30H38O9 (542.2515698)


   
   

7alpha,12alpha-diacetoxy-14beta,15beta-epoxy-11beta-hydroxyneotecleanin|7??,12??-Diacetoxy-14??,15??-epoxy-11??-hydroxyneotecleanin

7alpha,12alpha-diacetoxy-14beta,15beta-epoxy-11beta-hydroxyneotecleanin|7??,12??-Diacetoxy-14??,15??-epoxy-11??-hydroxyneotecleanin

C30H38O9 (542.2515698)


   

1beta,2beta,8beta-triacetoxy-9beta-cinnamoyloxy-beta-dihydroagarofuran

1beta,2beta,8beta-triacetoxy-9beta-cinnamoyloxy-beta-dihydroagarofuran

C30H38O9 (542.2515698)


   

citreohybridone A

citreohybridone A

C30H38O9 (542.2515698)


   

1beta,2beta,6alpha-triacetoxy-9alpha-cinnamoyloxy-beta-dihydroagarofuran

1beta,2beta,6alpha-triacetoxy-9alpha-cinnamoyloxy-beta-dihydroagarofuran

C30H38O9 (542.2515698)


   

peddiea factor A1

peddiea factor A1

C30H38O9 (542.2515698)


   

6??-Acetoxy-5-epilimonin

6??-Acetoxy-5-epilimonin

C30H38O9 (542.2515698)


   

2-O-Methylmicrophyllinic acid

2-O-Methylmicrophyllinic acid

C30H38O9 (542.2515698)


   
   
   

isocitreohybridone A

isocitreohybridone A

C30H38O9 (542.2515698)


   

3-O-succinylcinobufagin|cinobufagin 3-succinate

3-O-succinylcinobufagin|cinobufagin 3-succinate

C30H38O9 (542.2515698)


   
   
   

Cys His Gln Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C20H34N10O6S (542.2383384)


   

Cys His Arg Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid

C20H34N10O6S (542.2383384)


   

Cys Gln His Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C20H34N10O6S (542.2383384)


   

Cys Gln Arg His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C20H34N10O6S (542.2383384)


   

Cys Arg His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C20H34N10O6S (542.2383384)


   

Cys Arg Gln His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C20H34N10O6S (542.2383384)


   

Asp Phe Val Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Asp Phe Tyr Val

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

C27H34N4O8 (542.2376524)


   

Asp Val Phe Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Asp Val Tyr Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Asp Tyr Phe Val

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

C27H34N4O8 (542.2376524)


   

Asp Tyr Val Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Glu Phe Phe Thr

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

C27H34N4O8 (542.2376524)


   

Glu Phe Thr Phe

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

C27H34N4O8 (542.2376524)


   

Glu Thr Phe Phe

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

C27H34N4O8 (542.2376524)


   

Phe Asp Val Tyr

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Phe Asp Tyr Val

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

C27H34N4O8 (542.2376524)


   

Phe Glu Phe Thr

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C27H34N4O8 (542.2376524)


   

Phe Glu Thr Phe

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C27H34N4O8 (542.2376524)


   

Phe Phe Glu Thr

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

C27H34N4O8 (542.2376524)


   

Phe Phe Met Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid

C28H38N4O5S (542.2562778)


   

Phe Phe Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-hydroxybutanamido]pentanedioic acid

C27H34N4O8 (542.2376524)


   

Phe Phe Val Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid

C28H38N4O5S (542.2562778)


   

Phe Met Phe Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-methylbutanoic acid

C28H38N4O5S (542.2562778)


   

Phe Met Val Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-phenylpropanoic acid

C28H38N4O5S (542.2562778)


   

Phe Thr Glu Phe

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C27H34N4O8 (542.2376524)


   

Phe Thr Phe Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]-3-phenylpropanamido]pentanedioic acid

C27H34N4O8 (542.2376524)


   

Phe Val Asp Tyr

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylbutanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Phe Val Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C28H38N4O5S (542.2562778)


   

Phe Val Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C28H38N4O5S (542.2562778)


   

Phe Val Tyr Asp

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

C27H34N4O8 (542.2376524)


   

Phe Tyr Asp Val

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

C27H34N4O8 (542.2376524)


   

Phe Tyr Val Asp

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

C27H34N4O8 (542.2376524)


   

His Cys Gln Arg

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C20H34N10O6S (542.2383384)


   

His Cys Arg Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid

C20H34N10O6S (542.2383384)


   

His Gln Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C20H34N10O6S (542.2383384)


   

His Gln Arg Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid

C20H34N10O6S (542.2383384)


   

His Arg Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C20H34N10O6S (542.2383384)


   

His Arg Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C20H34N10O6S (542.2383384)


   

Met Phe Phe Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-methylbutanoic acid

C28H38N4O5S (542.2562778)


   

Met Phe Val Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-methylbutanamido]-3-phenylpropanoic acid

C28H38N4O5S (542.2562778)


   

Met Val Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C28H38N4O5S (542.2562778)


   

Pro Thr Tyr Tyr

(2S)-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H34N4O8 (542.2376524)


   

Pro Tyr Thr Tyr

(2S)-2-[(2S,3R)-3-hydroxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H34N4O8 (542.2376524)


   

Pro Tyr Tyr Thr

(2S,3R)-3-hydroxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]butanoic acid

C27H34N4O8 (542.2376524)


   

Gln Cys His Arg

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C20H34N10O6S (542.2383384)


   

Gln Cys Arg His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C20H34N10O6S (542.2383384)


   

Gln His Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C20H34N10O6S (542.2383384)


   

Gln His Arg Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid

C20H34N10O6S (542.2383384)


   

Gln Arg Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C20H34N10O6S (542.2383384)


   

Gln Arg His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C20H34N10O6S (542.2383384)


   

Arg Cys His Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C20H34N10O6S (542.2383384)


   

Arg Cys Gln His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanoic acid

C20H34N10O6S (542.2383384)


   

Arg His Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C20H34N10O6S (542.2383384)


   

Arg His Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C20H34N10O6S (542.2383384)


   

Arg Gln Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C20H34N10O6S (542.2383384)


   

Arg Gln His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C20H34N10O6S (542.2383384)


   

Thr Glu Phe Phe

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

C27H34N4O8 (542.2376524)


   

Thr Phe Glu Phe

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C27H34N4O8 (542.2376524)


   

Thr Phe Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]-3-phenylpropanamido]pentanedioic acid

C27H34N4O8 (542.2376524)


   

Thr Pro Tyr Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H34N4O8 (542.2376524)


   

Thr Tyr Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C27H34N4O8 (542.2376524)


   

Thr Tyr Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C27H34N4O8 (542.2376524)


   

Val Asp Phe Tyr

(3S)-3-[(2S)-2-amino-3-methylbutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Val Asp Tyr Phe

(3S)-3-[(2S)-2-amino-3-methylbutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Val Phe Asp Tyr

(3S)-3-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Val Phe Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-phenylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C28H38N4O5S (542.2562778)


   

Val Phe Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C28H38N4O5S (542.2562778)


   

Val Phe Tyr Asp

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

C27H34N4O8 (542.2376524)


   

Val Met Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C28H38N4O5S (542.2562778)


   

Val Tyr Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Val Tyr Phe Asp

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

C27H34N4O8 (542.2376524)


   

Tyr Asp Phe Val

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

C27H34N4O8 (542.2376524)


   

Tyr Asp Val Phe

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Tyr Phe Asp Val

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

C27H34N4O8 (542.2376524)


   

Tyr Phe Val Asp

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

C27H34N4O8 (542.2376524)


   

Tyr Pro Thr Tyr

(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C27H34N4O8 (542.2376524)


   

Tyr Pro Tyr Thr

(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C27H34N4O8 (542.2376524)


   

Tyr Thr Pro Tyr

(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C27H34N4O8 (542.2376524)


   

Tyr Thr Tyr Pro

(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C27H34N4O8 (542.2376524)


   

Tyr Val Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C27H34N4O8 (542.2376524)


   

Tyr Val Phe Asp

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

C27H34N4O8 (542.2376524)


   

Tyr Tyr Pro Thr

(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanoic acid

C27H34N4O8 (542.2376524)


   

Tyr Tyr Thr Pro

(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

C27H34N4O8 (542.2376524)


   

PI(14:1(9Z)/0:0)

1-(9Z-tetradecenoyl)-glycero-3-phospho-(1-myo-inositol)

C23H43O12P (542.2492008)


   

Physagulin C

16-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-6,12-dihydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.0^{2,7}.0^{7,9}.0^{12,17}.0^{14,16}]nonadec-4-en-13-yl acetate

C30H38O9 (542.2515698)


   

LPI 14:1

1-(9Z-tetradecenoyl)-glycero-3-phospho-(1-myo-inositol)

C23H43O12P (542.2492008)


   

Nicansteroidin C

15alpha-acetoxy-6beta,14beta-dihydroxy-1-oxo-2alpha,5alpha-dioxy-witha3,16,24-trien-26,22-olide

C30H38O9 (542.2515698)


   

Physagulin F

15alpha-acetoxy-5beta,6beta:16beta,17beta-diepoxy-4beta14beta,dihydroxy-1-oxo-witha2,24-dien-26,22-olide

C30H38O9 (542.2515698)


   

Ethyl 5,8-bis(benzyloxy)-4-{[dimethyl(2-methyl-2-propanyl)silyl]o xy}-2-naphthoate

Ethyl 5,8-bis(benzyloxy)-4-{[dimethyl(2-methyl-2-propanyl)silyl]o xy}-2-naphthoate

C33H38O5Si (542.2488378)


   

(2S,3R,4S,5R,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2S,3R,4S,5R,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C34H35FO5 (542.2468392)


   

2,3,4,6-tetra-o-benzyl-alpha-d-glucopyranosyl fluoride

2,3,4,6-tetra-o-benzyl-alpha-d-glucopyranosyl fluoride

C34H35FO5 (542.2468392)


   
   

2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL FLUORIDE

2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL FLUORIDE

C34H35FO5 (542.2468392)


   

N-[3-(Dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide

N-[3-(Dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide

C25H34N8O4S (542.2423604)


   

8-[1-(1,3-Benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-4-methyl-1-benzopyran-2-one

8-[1-(1,3-Benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-4-methyl-1-benzopyran-2-one

C32H34N2O6 (542.2416744)


   

4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

C28H38N4O3S2 (542.2385198000001)


   
   

4-[[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

4-[[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   

3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   

3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   

3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   

3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   

3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   

3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   

3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   

3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   

4-[[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

4-[[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid

C29H38N2O6S (542.2450448)


   
   

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (Z)-tetradec-9-enoate

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (Z)-tetradec-9-enoate

C23H43O12P (542.2492008)


   

1-(9Z-tetradecenoyl)-glycero-3-phospho-(1-myo-inositol)

1-(9Z-tetradecenoyl)-glycero-3-phospho-(1-myo-inositol)

C23H43O12P (542.2492008)


   
   
   

Atrasentan

Atrasentan

C29H38N2O6S (542.2450448)


Atrasentan (ABT-627) is an endothelin receptor antagonist with IC50 of 0.0551 nM for ETA[1].

   

4-(acetyloxy)-11-hydroxy-1-(2-hydroxy-5-oxo-2h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate

4-(acetyloxy)-11-hydroxy-1-(2-hydroxy-5-oxo-2h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate

C30H38O9 (542.2515698)


   

1-[(1s,2s,5r,6r)-5-(2h-1,3-benzodioxol-5-yl)-6-[(1e)-2-(2h-1,3-benzodioxol-5-yl)ethenyl]-2-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]pyrrolidine

1-[(1s,2s,5r,6r)-5-(2h-1,3-benzodioxol-5-yl)-6-[(1e)-2-(2h-1,3-benzodioxol-5-yl)ethenyl]-2-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]pyrrolidine

C32H34N2O6 (542.2416744)


   

(10-{6-[(acetyloxy)methyl]-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl}-6-(furan-3-yl)-7,11-dimethyl-4-oxo-2,5-dioxatricyclo[5.4.0.0¹,³]undecan-11-yl)methyl acetate

(10-{6-[(acetyloxy)methyl]-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl}-6-(furan-3-yl)-7,11-dimethyl-4-oxo-2,5-dioxatricyclo[5.4.0.0¹,³]undecan-11-yl)methyl acetate

C30H38O9 (542.2515698)


   

4-{[(1r,2s,4r,5r,6r,7r,10s,11s,14s,16r)-5-(acetyloxy)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-4-oxobutanoic acid

4-{[(1r,2s,4r,5r,6r,7r,10s,11s,14s,16r)-5-(acetyloxy)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-4-oxobutanoic acid

C30H38O9 (542.2515698)


   

(1s,2r,4s,5r,6r,7s,9r,12r)-4,5,12-tris(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate

(1s,2r,4s,5r,6r,7s,9r,12r)-4,5,12-tris(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate

C30H38O9 (542.2515698)


   

methyl 8,15-bis(acetyloxy)-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate

methyl 8,15-bis(acetyloxy)-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate

C30H38O9 (542.2515698)