Exact Mass: 544.1711298

Exact Mass Matches: 544.1711298

Found 307 metabolites which its exact mass value is equals to given mass value 544.1711298, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

(2S,2'S,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan

5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol

C30H24O10 (544.1369404)


(2S,2R,3S,3S,4S)-3,4,5,7-Tetrahydroxyflavan(2->7,4->8)-3,4,5,7-tetrahydroxyflavan is found in fruits. (2S,2R,3S,3S,4S)-3,4,5,7-Tetrahydroxyflavan(2->7,4->8)-3,4,5,7-tetrahydroxyflavan is a constituent of Prunus armeniaca (apricot). (2S,2S,3S,3R,4S)-3,4,5,7-Tetrahydroxyflavan(2->7,4->8)-3,4,5,7-tetrahydroxyflavan is a flavonoid oligomer.

   

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)

   

Methyl 3,4-dicaffeoylquinate

methyl 3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylate

C27H28O12 (544.1580688)


Methyl 3,4-dicaffeoylquinate is found in citrus. Methyl 3,4-dicaffeoylquinate is a constituent of the peel of Citrus reticulata (mandarin). Constituent of the peel of Citrus reticulata (mandarin). Methyl 3,4-dicaffeoylquinate is found in citrus.

   

Maclurin 3-C-(6'-p-hydroxybenzoyl-glucoside)

{6-[3-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoic acid

C26H24O13 (544.1216853999999)


Maclurin 3-C-(6-p-hydroxybenzoyl-glucoside) is found in fruits. Maclurin 3-C-(6-p-hydroxybenzoyl-glucoside) is a constituent of leaves of Mangifera indica (mango)

   

1,5-Diferuloylquinic acid

(1R,3R,4S,5R)-3,4-dihydroxy-1,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid

C27H28O12 (544.1580688)


1,5-Diferuloylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

   

Estriol 3-sulfate 16-glucuronide

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,13R,14R,15S)-14-hydroxy-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-13-yl]oxy}oxane-2-carboxylic acid

C24H32O12S (544.1614392)


Estriol 3-sulfate 16-glucuronide is a natural human metabolite of Estriol 3-sulfate generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Estriol 3-sulfate 16-glucuronide is a natural human metabolite of Estriol 3-sulfate generated in the liver by UDP glucuonyltransferase. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

Fluperamide

4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-N,N-dimethyl-2,2-diphenylbutanamide

C30H32ClF3N2O2 (544.2104278)


Fluperamide, also known as R 18, belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Fluperamide is considered to be a practically insoluble (in water) and relatively neutral molecule. C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent

   

Curcumin glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenoxy}oxane-2-carboxylic acid

C27H28O12 (544.1580688)


Curcumin glucuronide is a diarylheptanoid.

   

Hydroxyrubicin

10-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C27H28O12 (544.1580688)


   

Prednisolone metasulfobenzoate

3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonic acid

C28H32O9S (544.1766942)


   

Vilaprisan

17-Hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

C27H29F5O4S (544.1706614)


   

3,4-Diferuloylquinic acid

(1R,3R,4S,5R)-1,3-dihydroxy-4,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid

C27H28O12 (544.1580688)


3,4-diferuloylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3,4-diferuloylquinic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3,4-diferuloylquinic acid can be found in carrot, which makes 3,4-diferuloylquinic acid a potential biomarker for the consumption of this food product.

   

3,5-Diferuloylquinic acid

(1S,3R,4S,5R)-1,4-dihydroxy-3,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid

C27H28O12 (544.1580688)


3,5-diferuloylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3,5-diferuloylquinic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3,5-diferuloylquinic acid can be found in carrot, which makes 3,5-diferuloylquinic acid a potential biomarker for the consumption of this food product.

   

Mahuannin A

(1S,5R,6R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol

C30H24O10 (544.1369404)


From Prunus subspecies Mahuannin A is found in fruits and apricot.

   
   
   
   

Scytonemin, Lyngbya sp.

Scytonemin, Lyngbya sp.

C36H20N2O4 (544.1423)


   
   

Homaloside D

[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

C27H28O12 (544.1580688)


   
   

4-Hydroxytremulacin

4-Hydroxytremulacin

C27H28O12 (544.1580688)


   
   
   

Hirsutissimiside A

Formononetin 7-O-n(6-ethylmalonyl)-glucopyranoside

C27H28O12 (544.1580688)


   
   
   
   

3)-7,3,4-trihydroxyflavan

7,3,4-Trihydroxyflavan-(3-

C30H24O10 (544.1369404)


   

Dihydrodaphnodorin B

Dihydrodaphnodorin B

C30H24O10 (544.1369404)


   

tetragonolide isobutyrate

tetragonolide isobutyrate

C25H33ClO11 (544.1711298)


   

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)


   
   
   

1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester

1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester

C27H28O12 (544.1580688)


   

7,4alpha-

ent-Epiafzelechin-(2alpha-

C30H24O10 (544.1369404)


   

Mahuannin A

ent-Epiafzelechin(2alpha-

C30H24O10 (544.1369404)


   

7,4beta-

Epiafzelechin-(2beta-

C30H24O10 (544.1369404)


   

(3S,5R,8S)-2-[(benzoyloxy)methyl]-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decane-6-sulfonic acid

(3S,5R,8S)-2-[(benzoyloxy)methyl]-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decane-6-sulfonic acid

C23H28O13S (544.1250558)


   
   
   

matosine|rel-(7R,8R,7R,8S)-2,4,4,5,7-pentahydroxy-7,8-dihydrochalcone-(2->7,8->8)-2,4,4-trihydroxy-7,8-dihydrochalcone

matosine|rel-(7R,8R,7R,8S)-2,4,4,5,7-pentahydroxy-7,8-dihydrochalcone-(2->7,8->8)-2,4,4-trihydroxy-7,8-dihydrochalcone

C30H24O10 (544.1369404)


   
   

(E)-8,8-<1,4-dimethyl-3-cyclohexen-1,2-ylene vinylene>-bis-<5,7-dimethoxycoumarin>|mexolide|Toddasin

(E)-8,8-<1,4-dimethyl-3-cyclohexen-1,2-ylene vinylene>-bis-<5,7-dimethoxycoumarin>|mexolide|Toddasin

C32H32O8 (544.2097072)


   

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

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

C28H32O11 (544.1944522)


   

tetragonolide-(2-methylbutyrate)|tetragonolide-<2-methylbutyrate>

tetragonolide-(2-methylbutyrate)|tetragonolide-<2-methylbutyrate>

C26H37ClO10 (544.2075132)


   
   
   

(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin

(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin

C31H32N2O7 (544.2209402)


   

Flavomentin A|Flavomientin A

Flavomentin A|Flavomientin A

C30H24O10 (544.1369404)


   
   
   
   

8,10-dihydroxydimethyl-2-methyl-(2E,6E)-octadienoyl catalpol

8,10-dihydroxydimethyl-2-methyl-(2E,6E)-octadienoyl catalpol

C25H36O13 (544.2155806000001)


   

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.

   
   
   

Elsinochrom D|elsinochrome D

Elsinochrom D|elsinochrome D

C30H24O10 (544.1369404)


   

[4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate

[4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate

C26H24O13 (544.1216853999999)


   

Dendrofalconerol A

Dendrofalconerol A

C32H32O8 (544.2097072)


   
   

(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin|lanciferine

(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin|lanciferine

C31H32N2O7 (544.2209402)


   

phomalevone C

phomalevone C

C30H24O10 (544.1369404)


A biaryl that is 5,10a-dihydro-9H,9H-2,2-bixanthene-5,9,9(10aH)-trione substituted by hydroxy groups at positions 1, 1, 5, 8 and 8 and methyl groups at positions 3, 3, 10a and 10a. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial and antifungal activities.

   

chrysin 6-C-(2-O-alpha-L-rhamnopyranosyl)-6-deoxyribohexos-3-uloside

chrysin 6-C-(2-O-alpha-L-rhamnopyranosyl)-6-deoxyribohexos-3-uloside

C27H28O12 (544.1580688)


   

(1s,3R,4s,5R)-3,5-di-O-feruloylquinic acid|(?)?3,5-di-O-feruloylquinic acid|3,5-di-O-caffeoylquinic acid|3,5-O-diferuloylquinic acid

(1s,3R,4s,5R)-3,5-di-O-feruloylquinic acid|(?)?3,5-di-O-feruloylquinic acid|3,5-di-O-caffeoylquinic acid|3,5-O-diferuloylquinic acid

C27H28O12 (544.1580688)


   
   

(1S,4aR,5S,6S,7S,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-5-yl 3,4-dimethoxybenzoate|(1S,4aR,5S,6S,7S,7aS)-5-[(3,4-dimethoxybenzoyl)oxy]-6,7-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl beta-D-dlucopyranoside|6-O-(3,4-dimethoxybenzoyl)paulownioside|eremoside A

(1S,4aR,5S,6S,7S,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-5-yl 3,4-dimethoxybenzoate|(1S,4aR,5S,6S,7S,7aS)-5-[(3,4-dimethoxybenzoyl)oxy]-6,7-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl beta-D-dlucopyranoside|6-O-(3,4-dimethoxybenzoyl)paulownioside|eremoside A

C24H32O14 (544.1791972)


   

1?-O-[(E)-2?-methyl-but-2?-en-4?-ol]-4?,6?-O-[3,5-dicarbonyl-8-hydroxy-2-(4?,5?-dihydroxy-phenyl)-1-benzofuran-2-yl]-beta-d-glucopyranose|salviniside I

1?-O-[(E)-2?-methyl-but-2?-en-4?-ol]-4?,6?-O-[3,5-dicarbonyl-8-hydroxy-2-(4?,5?-dihydroxy-phenyl)-1-benzofuran-2-yl]-beta-d-glucopyranose|salviniside I

C26H24O13 (544.1216853999999)


   
   
   
   
   

Elsinochrom A|Elsinochrome A|Phycaron

Elsinochrom A|Elsinochrome A|Phycaron

C30H24O10 (544.1369404)


   
   
   
   
   

Riboflavin, 2,3,4,5-tetraacetate

Riboflavin, 2,3,4,5-tetraacetate

C25H28N4O10 (544.1805348)


   
   

Hepta-Me ether-2,3,3,4,5,6,7-Heptahydroxyflavanone

Hepta-Me ether-2,3,3,4,5,6,7-Heptahydroxyflavanone

C26H24O13 (544.1216853999999)


   
   

4-(9H-beta-carbolin-1-ylmethyl)-6-beta-D-glucopyranosyloxy-2-hydroxy-5-vinyl-tetrahydro-pyran-3-carboxylic acid methyl ester|Palinin|Palinine

4-(9H-beta-carbolin-1-ylmethyl)-6-beta-D-glucopyranosyloxy-2-hydroxy-5-vinyl-tetrahydro-pyran-3-carboxylic acid methyl ester|Palinin|Palinine

C27H32N2O10 (544.2056852)


   

8-O-acetyltrijugin C|trijugin D

8-O-acetyltrijugin C|trijugin D

C28H32O11 (544.1944522)


   

Leucopelargonidin dioxan dimer

Leucopelargonidin dioxan dimer

C30H24O10 (544.1369404)


   

2,4,6-trihydroxybenzophenone 4-O-(6-O-galloyl)-beta-D-glucopyranoside|guavinoside A

2,4,6-trihydroxybenzophenone 4-O-(6-O-galloyl)-beta-D-glucopyranoside|guavinoside A

C26H24O13 (544.1216853999999)


   
   

Phe Thr Tyr Asp

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

C26H32N4O9 (544.2169182)


   

Paeoniflorin sulfite

[(6R,8S)-8-methyl-1-sulfinooxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

C23H28O13S (544.1250558)


Paeoniflorin, a main component of Paeoniae Radix Alba, could be transformed into Paeoniflorin sulfite during sulfur-fumigation of Paeoniae Radix Alba[1].

   

Ethyl 3,4-dicaffeoylquinate

ethyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate

C27H28O12 (544.1580688)


Ethyl 3,4-dicaffeoylquinate is a natural product found in Dichrocephala integrifolia with data available.

   

(1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]cyclohexane-1-carboxylic acid

NCGC00385009-01!(1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]cyclohexane-1-carboxylic acid

C27H28O12 (544.1580688)


   

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate

NCGC00386014-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate

C26H24O13 (544.1216853999999)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one

NCGC00380415-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one

C30H24O10 (544.1369404)


   

C23H28O13S

NCGC00380481-01_C23H28O13S_

C23H28O13S (544.1250558)


   
   

Scytonemin

Scytonemin

C36H20N2O4 (544.1423)


A ring assembly obtained by 1,1-coupling of two molecules of (3E)-3-[(4-hydroxyphenyl)methylidene]cyclopenta[b]indol-2(3H)-one. A UV-screening molecule produced by many strains of cyanobacteria.

   

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]

NCGC00380415-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]

C30H24O10 (544.1369404)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000847696]

NCGC00380415-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000847696]

C30H24O10 (544.1369404)


   

(3S,5R,8S)-2-[(benzoyloxy)methyl]-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decane-6-sulfonic acid_major

(3S,5R,8S)-2-[(benzoyloxy)methyl]-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decane-6-sulfonic acid_major

C23H28O13S (544.1250558)


   

(3S,5R,8S)-2-[(benzoyloxy)methyl]-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,?.0³,?]decane-6-sulfonic acid

(3S,5R,8S)-2-[(benzoyloxy)methyl]-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,?.0³,?]decane-6-sulfonic acid

C23H28O13S (544.1250558)


   

Ala Glu Tyr Tyr

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Ala Tyr Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Ala Tyr Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C26H32N4O9 (544.2169182)


   

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 Glu Met Tyr

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Cys Glu Tyr Met

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

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 Met Glu Tyr

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Cys Met Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

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 Glu Met

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Cys Tyr Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

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)


   

Asp Phe Thr Tyr

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

C26H32N4O9 (544.2169182)


   

Asp Phe Tyr Thr

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

C26H32N4O9 (544.2169182)


   

Asp His His His

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

C22H28N10O7 (544.2142338000001)


   

Asp Thr Phe Tyr

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

C26H32N4O9 (544.2169182)


   

Asp Thr Tyr Phe

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

C26H32N4O9 (544.2169182)


   

Asp Tyr Phe Thr

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

C26H32N4O9 (544.2169182)


   

Asp Tyr Thr Phe

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

C26H32N4O9 (544.2169182)


   

Glu Ala Tyr Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

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 Cys Met Tyr

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Glu Cys Tyr Met

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

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 Phe Ser Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Glu Phe Tyr Ser

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

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 Cys Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

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)


   

Glu Met Tyr Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Glu Ser Phe Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Glu Ser Tyr Phe

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Glu Tyr Ala Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Glu Tyr Cys Met

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Glu Tyr Phe Ser

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Glu Tyr Met Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Glu Tyr Ser Phe

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Glu Tyr Tyr Ala

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

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 Asp Thr Tyr

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

C26H32N4O9 (544.2169182)


   

Phe Asp Tyr Thr

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

C26H32N4O9 (544.2169182)


   

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 Glu Ser Tyr

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

C26H32N4O9 (544.2169182)


   

Phe Glu Tyr Ser

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

C26H32N4O9 (544.2169182)


   

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)


   

Phe Ser Glu Tyr

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

C26H32N4O9 (544.2169182)


   

Phe Ser Tyr Glu

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

C26H32N4O9 (544.2169182)


   

Phe Thr Asp Tyr

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

C26H32N4O9 (544.2169182)


   

Phe Tyr Asp Thr

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

C26H32N4O9 (544.2169182)


   

Phe Tyr Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Phe Tyr Ser Glu

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

C26H32N4O9 (544.2169182)


   

Phe Tyr Thr Asp

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

C26H32N4O9 (544.2169182)


   

His Asp His His

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C22H28N10O7 (544.2142338000001)


   

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 His Asp His

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C22H28N10O7 (544.2142338000001)


   

His His His Asp

(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]butanedioic acid

C22H28N10O7 (544.2142338000001)


   

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 Cys Glu Tyr

(4S)-4-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Met Cys Tyr Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

Met Glu Cys Tyr

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

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 Glu Tyr Cys

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

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)


   

Met Met Thr Tyr

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

C23H36N4O7S2 (544.2025306)


   

Met Met Tyr Thr

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

C23H36N4O7S2 (544.2025306)


   

Met Thr Met Tyr

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

C23H36N4O7S2 (544.2025306)


   

Met Thr Tyr Met

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

C23H36N4O7S2 (544.2025306)


   

Met Tyr Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

Met Tyr Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Met Tyr Met Thr

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

C23H36N4O7S2 (544.2025306)


   

Met Tyr Thr Met

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

C23H36N4O7S2 (544.2025306)


   

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)


   

Ser Glu Phe Tyr

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

C26H32N4O9 (544.2169182)


   

Ser Glu Tyr Phe

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

C26H32N4O9 (544.2169182)


   

Ser Phe Glu Tyr

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

C26H32N4O9 (544.2169182)


   

Ser Phe Tyr Glu

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

C26H32N4O9 (544.2169182)


   

Ser Tyr Glu Phe

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

C26H32N4O9 (544.2169182)


   

Ser Tyr Phe Glu

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

C26H32N4O9 (544.2169182)


   

Thr Asp Phe Tyr

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

C26H32N4O9 (544.2169182)


   

Thr Asp Tyr Phe

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

C26H32N4O9 (544.2169182)


   

Thr Phe Asp Tyr

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

C26H32N4O9 (544.2169182)


   

Thr Phe Tyr Asp

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

C26H32N4O9 (544.2169182)


   

Thr Met Met Tyr

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

C23H36N4O7S2 (544.2025306)


   

Thr Met Tyr Met

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

C23H36N4O7S2 (544.2025306)


   

Thr Tyr Asp Phe

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

C26H32N4O9 (544.2169182)


   

Thr Tyr Phe Asp

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

C26H32N4O9 (544.2169182)


   

Thr Tyr Met Met

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

C23H36N4O7S2 (544.2025306)


   

Tyr Ala Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Tyr Ala Tyr Glu

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

C26H32N4O9 (544.2169182)


   

Tyr Cys Glu Met

(4S)-4-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Cys Met Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

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 Asp Phe Thr

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

C26H32N4O9 (544.2169182)


   

Tyr Asp Thr Phe

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

C26H32N4O9 (544.2169182)


   

Tyr Glu Ala Tyr

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Tyr Glu Cys Met

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Glu Phe Ser

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

C26H32N4O9 (544.2169182)


   

Tyr Glu Met Cys

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Glu Ser Phe

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

C26H32N4O9 (544.2169182)


   

Tyr Glu Tyr Ala

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Tyr Phe Asp Thr

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

C26H32N4O9 (544.2169182)


   

Tyr Phe Glu Ser

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

Tyr Phe Ser Glu

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

C26H32N4O9 (544.2169182)


   

Tyr Phe Thr Asp

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

C26H32N4O9 (544.2169182)


   

Tyr Met Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]pentanedioic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Met Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C22H32N4O8S2 (544.1661472)


   

Tyr Met Met Thr

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

C23H36N4O7S2 (544.2025306)


   

Tyr Met Thr Met

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

C23H36N4O7S2 (544.2025306)


   

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 Ser Glu Phe

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

C26H32N4O9 (544.2169182)


   

Tyr Ser Phe Glu

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

C26H32N4O9 (544.2169182)


   

Tyr Thr Asp Phe

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

C26H32N4O9 (544.2169182)


   

Tyr Thr Phe Asp

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

C26H32N4O9 (544.2169182)


   

Tyr Thr Met Met

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

C23H36N4O7S2 (544.2025306)


   

Tyr Tyr Ala Glu

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

C26H32N4O9 (544.2169182)


   

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 Glu Ala

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

C26H32N4O9 (544.2169182)


   

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)


   

GW 627368X

4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz[f]isoindol-2-yl)-N-(phenylsulfonyl)-benzeneacetamide

C30H28N2O6S (544.1667988)


   

Estriol 3-sulfate 16-glucuronide

(16alpha,17beta)-17-Hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16-yl-beta-delta-glucopyranosiduronic acid

C24H32O12S (544.1614392)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

CAY10406

(S)-1-benzyl-5-(1-[2-(phenoxy-p-trifluoromethyl)-pyrrolidynyl]-sulfonyl)-isatin

C27H23F3N2O5S (544.1279704)


   

Scytonemin monomer

Scytonemin monomer

C36H20N2O4 (544.1423)


   

Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)

(6-{3-[(3,4-dihydroxyphenyl)carbonyl]-2,4,6-trihydroxyphenyl}-3,4,5-trihydroxyoxan-2-yl)methyl 4-hydroxybenzoate

C26H24O13 (544.1216853999999)


   

(2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan

5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol

C30H24O10 (544.1369404)


   

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.

   

Methyl 3,4-dicaffeoylquinate

methyl 3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylate

C27H28O12 (544.1580688)


An alkyl caffeate ester obtained by the formal condensation of hydroxy groups at positions 3 and 4 of methylquinate with two molecules of trans-caffeic acid respectively.

   

1,5-Diferuloylquinic acid

(1R,3R,4S,5R)-3,4-dihydroxy-1,5-bis({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid

C27H28O12 (544.1580688)


   

(2S,5R,8S)-2-[(Benzoyloxy)methyl]-3-(?-D-glucopyranosyloxy)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decane-6-sulfonic acid

(2S,5R,8S)-2-[(Benzoyloxy)methyl]-3-(?-D-glucopyranosyloxy)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decane-6-sulfonic acid

C23H28O13S (544.1250558)


   

C-Methylcalix[4]resorcinarene

C-Methylcalix[4]resorcinarene

C32H32O8 (544.2097072)


   
   

3-deoxy-5-o-(dimethoxytrityl)-5-methyluridine

3-deoxy-5-o-(dimethoxytrityl)-5-methyluridine

C31H32N2O7 (544.2209402)


   

3-O-(4,4-DIMETHOXYTRITYL)-THYMIDINE

3-O-(4,4-DIMETHOXYTRITYL)-THYMIDINE

C31H32N2O7 (544.2209402)


   
   

2,4,6,8-tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane

2,4,6,8-tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane

C28H32O4Si4 (544.1377592)


   

3-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-

3-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-

C27H28N8O5 (544.2182558)


   

Tetramethyltetraphenylcyclotetrasiloxane

Tetramethyltetraphenylcyclotetrasiloxane

C28H32O4Si4 (544.1377592)


   

((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)


   

4,4-[4,4-Biphenyldiylbis(phenylimino)]dibenzaldehyde

4,4-[4,4-Biphenyldiylbis(phenylimino)]dibenzaldehyde

C38H28N2O2 (544.2150668)


   

Mesoridazine besylate

Mesoridazine besylate

C27H32N2O4S3 (544.1524112)


C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

   

5-O-Dimethoxytrityl-deoxythymidine

5-O-Dimethoxytrityl-deoxythymidine

C31H32N2O7 (544.2209402)


5'-O-DMT-dT (5'-O-(4,4'-Dimethoxytrityl)thymidine) is a nucleoside derivative which can be used in the preparation of oligonucleotides[1].

   

N2-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-N1,N1-dimethylethanediamide

N2-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-N1,N1-dimethylethanediamide

C28H25ClN6O4 (544.162572)


   

7,7-Bi[1,4]benzoxazino[2,3,4-kl]phenoxazine

7,7-Bi[1,4]benzoxazino[2,3,4-kl]phenoxazine

C36H20N2O4 (544.1423)


   

hafnium(4+),methanidylbenzene

hafnium(4+),methanidylbenzene

C28H28Hf (544.1656498)


   

Vilaprisan

Vilaprisan

C27H29F5O4S (544.1706614)


C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent

   

Prednisolone metasulfobenzoate

Prednisolone metasulfobenzoate

C28H32O9S (544.1766942)


   

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.

   

(1S,5R,6R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

(1S,5R,6R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

C30H24O10 (544.1369404)


   

3,5-Diferuloylquinic acid

3,5-Diferuloylquinic acid

C27H28O12 (544.1580688)


   

4-Epidoxorubicinium

4-Epidoxorubicinium

C27H30NO11+ (544.181877)


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

   

Chaetochromin D

Chaetochromin D

C30H24O10 (544.1369404)


A biaryl that is 2,3-dihydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione substituted by hydroxy groups at positions 5, 5, 6, 6, 8 and 8 and methyl groups at positions 2, 2, 3 and 3. It has been isolated from Chaetomium gracile.

   
   

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

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

C28H32O11 (544.1944522)


   

19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)-

19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)-

C27H32N2O10 (544.2056852)


A natural product found in Gardneria ovata.

   

methyl (1S,15S,16S,17S,21S)-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,23-dioxa-3,13-diazahexacyclo[13.7.1.01,13.02,10.04,9.016,21]tricosa-2(10),4,6,8,19-pentaene-20-carboxylate

methyl (1S,15S,16S,17S,21S)-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,23-dioxa-3,13-diazahexacyclo[13.7.1.01,13.02,10.04,9.016,21]tricosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H32N2O10 (544.2056852)


   
   

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)


   

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

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

C27H26F2N2O6S (544.147956)


   

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

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

C27H26F2N2O6S (544.147956)


   

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

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

C27H26F2N2O6S (544.147956)


   

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

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

C27H26F2N2O6S (544.147956)


   

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

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

C27H26F2N2O6S (544.147956)


   

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

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

C27H26F2N2O6S (544.147956)


   

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

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

C27H26F2N2O6S (544.147956)


   

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

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

C27H26F2N2O6S (544.147956)


   
   

3,4,5-Trihydroxy-6-[3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

C27H28O12 (544.1580688)


   

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

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

C24H32O12S (544.1614392)


   

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

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

C24H32O12S (544.1614392)


   

(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)


   

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

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

C24H32O12S (544.1614392)


   
   

4,5-Diferuloylquinic acid

4,5-Diferuloylquinic acid

C27H28O12 (544.1580688)


   

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one

C30H24O10 (544.1369404)


   

(3S,5R,8S)-2-(benzoyloxymethyl)-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decane-6-sulfonic acid

(3S,5R,8S)-2-(benzoyloxymethyl)-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decane-6-sulfonic acid

C23H28O13S (544.1250558)


   

Curcumin glucuronide

Curcumin glucuronide

C27H28O12 (544.1580688)


   

Maclurin 3-C-(6-p-hydroxybenzoyl-glucoside)

Maclurin 3-C-(6-p-hydroxybenzoyl-glucoside)

C26H24O13 (544.1216853999999)


   
   
   
   
   
   
   

Anatabine (dicitrate)

Anatabine (dicitrate)

C22H28N2O14 (544.1540468000001)


Anatabine dicitrate is a tobacco alkaloid that can cross the blood-brain barrier. Anatabine dicitrate is a potent α4β2 nAChR agonist. Anatabine dicitrate inhibits NF-κB activation lower amyloid-β (Aβ) production by preventing the β-cleavage of amyloid precursor protein (APP). Anatabine dicitrate has anti-inflammatory effects and has the potential for neurodegenerative disorders treatment[1][2][3].