Exact Mass: 544.1894338

Exact Mass Matches: 544.1894338

Found 65 metabolites which its exact mass value is equals to given mass value 544.1894338, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Physalin D

(1R,2S,8S,9R,14R,15R,17R,18S,21S,24R,26S,27S)-5,14,15-Trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone

C28H32O11 (544.1944522)


Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physalin D is found in herbs and spices and fruits. Physalin D is a natural product found in Physalis angulata, Physalis peruviana, and other organisms with data available. Physalin D is found in fruits. Physalin D is a constituent of the famine food Physalis angulata (cutleaf ground cherry)

   

Physalin E

5,14,16-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone

C28H32O11 (544.1944522)


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

   

7,5-Dihydroxy-5,4-dimethoxy-3-prenylisoflavone 7-O-galactoside

7,5-Dihydroxy-5,4-dimethoxy-3-prenylisoflavone 7-O-galactoside

C28H32O11 (544.1944522)


   
   

10-O-(5-phenyl-2,4-pentadienoyl)-geniposide

10-O-(5-phenyl-2,4-pentadienoyl)-geniposide

C28H32O11 (544.1944522)


   
   

bistratamide H

bistratamide H

C25H32N6O4S2 (544.1926352)


A homodetic cyclic peptide that consists of L-valine as the amino acid residue. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line.

   
   

Riboflavin, 2,3,4,5-tetraacetate

Riboflavin, 2,3,4,5-tetraacetate

C25H28N4O10 (544.1805348)


   

8-O-acetyltrijugin C|trijugin D

8-O-acetyltrijugin C|trijugin D

C28H32O11 (544.1944522)


   

Cys Glu Phe Phe

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

C26H32N4O7S (544.1991602)


   

Cys Phe Glu Phe

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

C26H32N4O7S (544.1991602)


   

Cys Phe Phe Glu

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

C26H32N4O7S (544.1991602)


   

Cys Pro Tyr Tyr

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

C26H32N4O7S (544.1991602)


   

Cys Tyr Pro Tyr

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

C26H32N4O7S (544.1991602)


   

Cys Tyr Tyr Pro

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

C26H32N4O7S (544.1991602)


   

Glu Cys Phe Phe

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

C26H32N4O7S (544.1991602)


   

Glu Glu His Met

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

C21H32N6O9S (544.1951382)


   

Glu Glu Met His

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

C21H32N6O9S (544.1951382)


   

Glu Phe Cys Phe

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

C26H32N4O7S (544.1991602)


   

Glu Phe Phe Cys

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

C26H32N4O7S (544.1991602)


   

Glu His Glu Met

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

C21H32N6O9S (544.1951382)


   

Glu His Met Glu

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

C21H32N6O9S (544.1951382)


   

Glu Met Glu His

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C21H32N6O9S (544.1951382)


   

Glu Met His Glu

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

C21H32N6O9S (544.1951382)


   

Phe Cys Glu Phe

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

C26H32N4O7S (544.1991602)


   

Phe Cys Phe Glu

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

C26H32N4O7S (544.1991602)


   

Phe Glu Cys Phe

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

C26H32N4O7S (544.1991602)


   

Phe Glu Phe Cys

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

C26H32N4O7S (544.1991602)


   

Phe Phe Cys Glu

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

C26H32N4O7S (544.1991602)


   

Phe Phe Glu Cys

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

C26H32N4O7S (544.1991602)


   

His Glu Glu Met

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

C21H32N6O9S (544.1951382)


   

His Glu Met Glu

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

C21H32N6O9S (544.1951382)


   

His Met Glu Glu

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

C21H32N6O9S (544.1951382)


   

Met Glu Glu His

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C21H32N6O9S (544.1951382)


   

Met Glu His Glu

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

C21H32N6O9S (544.1951382)


   

Met His Glu Glu

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

C21H32N6O9S (544.1951382)


   

Pro Cys Tyr Tyr

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

C26H32N4O7S (544.1991602)


   

Pro Tyr Cys Tyr

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

C26H32N4O7S (544.1991602)


   

Pro Tyr Tyr Cys

(2R)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-sulfanylpropanoic acid

C26H32N4O7S (544.1991602)


   

Tyr Cys Pro Tyr

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

C26H32N4O7S (544.1991602)


   

Tyr Cys Tyr Pro

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

C26H32N4O7S (544.1991602)


   

Tyr Pro Cys Tyr

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

C26H32N4O7S (544.1991602)


   

Tyr Pro Tyr Cys

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

C26H32N4O7S (544.1991602)


   

Tyr Tyr Cys Pro

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

C26H32N4O7S (544.1991602)


   

Tyr Tyr Pro Cys

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

C26H32N4O7S (544.1991602)


   

Physalin E

5,14,16-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1^{18,27}.0^{1,5}.0^{2,24}.0^{8,17}.0^{9,14}.0^{21,26}]nonacos-11-ene-4,10,22,29-tetrone

C28H32O11 (544.1944522)


   

Physalin D

5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1^{18,27}.0^{1,5}.0^{2,24}.0^{8,17}.0^{9,14}.0^{21,26}]nonacos-11-ene-4,10,22,29-tetrone

C28H32O11 (544.1944522)


A physalin with antimalarial and antimycobacterial activities isolated from Physalis angulata.

   
   

((2E,4E)-3-METHYL-5-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)PENTA-2,4-DIEN-1-YL)TRIPHENYLPHOSPHONIUM BROMIDE

((2E,4E)-3-METHYL-5-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)PENTA-2,4-DIEN-1-YL)TRIPHENYLPHOSPHONIUM BROMIDE

C33H38BrP (544.1894338)


   

Doxorubicin(1+)

Doxorubicin(1+)

C27H30NO11+ (544.181877)


An anthracycline cation that is the conjugate acid of doxorubicin, arising from protonation of the amino group; major species at pH 7.3.

   

4-Epidoxorubicinium

4-Epidoxorubicinium

C27H30NO11+ (544.181877)


An anthracycline cation resulting from the protonation of the amino group of 4-epidoxorubicin.

   
   

5alpha,6beta-dihydroxy-5,6-dihydrophysalin B

5alpha,6beta-dihydroxy-5,6-dihydrophysalin B

C28H32O11 (544.1944522)


   

3alpha-hydroxyetiocholan-17-one 3-O-(3-sulfo-beta-D-glucuronate)

3alpha-hydroxyetiocholan-17-one 3-O-(3-sulfo-beta-D-glucuronate)

C25H36O11S-2 (544.1978226)


   

(2S,3R,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

(2S,3R,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

C25H36O11S (544.1978226)


   

(2S,3R,4S,5R,6R)-6-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

(2S,3R,4S,5R,6R)-6-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

C25H36O11S (544.1978226)


   
   
   

methyl (1r,3s,4r,7r,8s,11s,12s,15s,16s)-12-(acetyloxy)-16-(furan-3-yl)-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.0¹,¹⁵.0³,¹¹.0⁴,⁸]nonadecane-7-carboxylate

methyl (1r,3s,4r,7r,8s,11s,12s,15s,16s)-12-(acetyloxy)-16-(furan-3-yl)-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.0¹,¹⁵.0³,¹¹.0⁴,⁸]nonadecane-7-carboxylate

C28H32O11 (544.1944522)


   

(4s,11s,18s)-4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triol

(4s,11s,18s)-4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triol

C25H32N6O4S2 (544.1926352)


   

(1r,2r,5s,8s,9r,14r,15r,17r,18r,21s,24s,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone

(1r,2r,5s,8s,9r,14r,15r,17r,18r,21s,24s,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone

C28H32O11 (544.1944522)


   

[(1r,7s,9r,16r,18r,19r)-1,5-dihydroxy-19-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),4(13),5,11-tetraen-9-yl]acetic acid

[(1r,7s,9r,16r,18r,19r)-1,5-dihydroxy-19-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),4(13),5,11-tetraen-9-yl]acetic acid

C28H32O11 (544.1944522)


   

[(7s,9r,16s,18r)-1,5-dihydroxy-19-{[(2s)-5-hydroxy-6-methyloxan-2-yl]oxy}-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),4,6(11),12-tetraen-9-yl]acetic acid

[(7s,9r,16s,18r)-1,5-dihydroxy-19-{[(2s)-5-hydroxy-6-methyloxan-2-yl]oxy}-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),4,6(11),12-tetraen-9-yl]acetic acid

C28H32O11 (544.1944522)


   

(1r,2s,5r,8r,9r,14r,15r,17s,18r,21s,24r,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone

(1r,2s,5r,8r,9r,14r,15r,17s,18r,21s,24r,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone

C28H32O11 (544.1944522)