Exact Mass: 544.1217

Exact Mass Matches: 544.1217

Found 248 metabolites which its exact mass value is equals to given mass value 544.1217, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP-3-methyl-4-oxo-2,6-dideoxy-L-allose

dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose

C17H26N2O14P2 (544.0859)

Premithramycin A1

C27H28O12 (544.1581)

dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose

dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose; dTDP-4-keto-3-O-methyl-2,6-dideoxy-L-mannose

C17H26N2O14P2 (544.0859)

dTDP-3-methyl-4-oxo-2,6-dideoxy-D-glucose

C17H26N2O14P2 (544.0859)

(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 (544.1369)

(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.

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 (544.1581)

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 (544.1217)

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 (544.1581)

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 (544.1614)

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

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 (544.1581)

Curcumin glucuronide is a diarylheptanoid.

Eumelanins

7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-oxo-5H-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid

C23H20N4O8S2 (544.0723)

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 (544.1581)

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 (544.1707)

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 (544.1581)

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 (544.1581)

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 (544.1369)

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

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 (544.1581)

Itoside C

C27H28O12 (544.1581)

4-Hydroxytremulacin

C27H28O12 (544.1581)

Itoside D

C27H28O12 (544.1581)

Hirsutissimiside A

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

C27H28O12 (544.1581)

Mahuannin C

C30H24O10 (544.1369)

3)-7,3,4-trihydroxyflavan

7,3,4-Trihydroxyflavan-(3-

C30H24O10 (544.1369)

Dihydrodaphnodorin B

C30H24O10 (544.1369)

tetragonolide isobutyrate

C25H33ClO11 (544.1711)

Cochinchiside B

C27H28O12 (544.1581)

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

C27H28O12 (544.1581)

7,4alpha-

ent-Epiafzelechin-(2alpha-

C30H24O10 (544.1369)

Mahuannin A

ent-Epiafzelechin(2alpha-

C30H24O10 (544.1369)

7,4beta-

Epiafzelechin-(2beta-

C30H24O10 (544.1369)

(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 (544.1251)

elsinochroma

C30H24O10 (544.1369)

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 (544.1369)

rubellin F

C30H24O10 (544.1369)

Flavomentin A|Flavomientin A

C30H24O10 (544.1369)

mersinaline

C26H28N2O11 (544.1693)

Phycaron|Phycoron

C30H24O10 (544.1369)

Aranciamycin

C27H28O12 (544.1581)

Elsinochrom D|elsinochrome D

C30H24O10 (544.1369)

C27H28O12

C27H28O12 (544.1581)

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

C26H24O13 (544.1217)

phomalevone C

C30H24O10 (544.1369)

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

C27H28O12 (544.1581)

(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 (544.1581)

arimetamycin B

C27H28O12 (544.1581)

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 (544.1217)

Erigoster B

C26H24O13 (544.1217)

lyngbyabellin L

C23H29ClN2O7S2 (544.1105)

C24H29ClO12

C24H29ClO12 (544.1347)

Elsinochrom A|Elsinochrome A|Phycaron

C30H24O10 (544.1369)

Flavoskyrin

C30H24O10 (544.1369)

DTXSID60910914

C30H24O10 (544.1369)

C29H20O11

C29H20O11 (544.1006)

Purpurogenon

C29H20O11 (544.1006)

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

C26H24O13 (544.1217)

hybocarpone

C26H24O13 (544.1217)

Leucopelargonidin dioxan dimer

C30H24O10 (544.1369)

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

C26H24O13 (544.1217)

Listvenol

C30H24O10 (544.1369)

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 (544.1251)

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 (544.1581)

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 (544.1581)

[(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 (544.1217)

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 (544.1369)

C23H28O13S

NCGC00380481-01_C23H28O13S_

C23H28O13S (544.1251)

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 (544.1369)

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 (544.1369)

(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 (544.1251)

(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 (544.1251)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

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 (544.1661)

GW 627368X

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

C30H28N2O6S (544.1668)

Estriol 3-sulfate 16-glucuronide

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

C24H32O12S (544.1614)

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

CAY10406

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

C27H23F3N2O5S (544.128)

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 (544.1217)

(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 (544.1369)

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 (544.1581)

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 (544.1581)

(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 (544.1251)

2-[4-Chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]-N-[3-fluoro-4-(2- hydroxy-2-methylpropoxy)-2-methylphenyl]acetamide

C27H23Cl2FN2O5 (544.0968)

DiOC5(3)

C27H33IN2O2 (544.1587)

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

C28H32O4Si4 (544.1378)

2-[(1E,3Z)-3-CHLORO-5-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1,3-PENTADIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM IODIDE

C27H30ClIN2 (544.1142)

Tetramethyltetraphenylcyclotetrasiloxane

C28H32O4Si4 (544.1378)

Mesoridazine besylate

C27H32N2O4S3 (544.1524)

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

Tetrabenzylthiuram disulfide

C30H28N2S4 (544.1135)

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

C28H25ClN6O4 (544.1626)

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

C36H20N2O4 (544.1423)

hafnium(4+),methanidylbenzene

C28H28Hf (544.1656)

Vilaprisan

C27H29F5O4S (544.1707)

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

Opigolix

C25H19F3N4O5S (544.1028)

C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2092 - Gonadotropin Releasing Hormone Antagonist

Tetraniliprole

C22H16ClF3N10O2 (544.1098)

2(3)-O-N-Methylanthraniloyl-adenosine-5-diphosphate

C18H22N6O10P2 (544.0873)

dTDP-beta-L-mycarose(2-)

C17H26N2O14P2-2 (544.0859)

dTDP-beta-L-4-epi-vancosamine(1-)

C17H28N3O13P2- (544.1097)

dTDP-beta-L-vancosamine(1-)

C17H28N3O13P2- (544.1097)

dTDP-alpha-D-mycarose

C17H26N2O14P2-2 (544.0859)

dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose

C17H26N2O14P2 (544.0859)

[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

C17H26N2O14P2-2 (544.0859)

[(2R,4S,6R)-4-hydroxy-4,6-dimethyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

C17H26N2O14P2 (544.0859)

(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 (544.1369)

3,5-Diferuloylquinic acid

C27H28O12 (544.1581)

Chaetochromin D

C30H24O10 (544.1369)

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.

D-xylotetraono-1,5-lactone

C20H32O17 (544.1639)

1-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

C21H29BrN4O6S (544.0991)

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 (544.148)

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 (544.148)

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 (544.148)

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 (544.148)

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 (544.148)

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 (544.148)

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 (544.148)

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 (544.148)

(3-5)-Cytidylylcytidine

C20H29N6O10P (544.1683)

[(4R,6S)-4-hydroxy-4,6-dimethyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

C17H26N2O14P2 (544.0859)

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 (544.1581)

(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 (544.1614)

(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 (544.1614)

(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 (544.1614)

hyemaloside B

C26H24O13 (544.1217)

4,5-Diferuloylquinic acid

C27H28O12 (544.1581)

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 (544.1369)

(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 (544.1251)

Curcumin glucuronide

C27H28O12 (544.1581)

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

C26H24O13 (544.1217)

dTDP-beta-L-mycarose(2-)

C17H26N2O14P2 (544.0859)

A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-beta-L-mycarose; major species at pH 7.3.

LPI 11:3;O3

C20H33O15P (544.1557)

CpC

C20H29N6O10P (544.1683)

Anatabine (dicitrate)

C22H28N2O14 (544.154)

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].

ML154

C29H26BrN2PS (544.0738)

ML154 (NCGC84) is a selective, brain-penetrant and non-peptide neuropeptide S receptor (NPSR) antagonist with a pA2 of 9.98. ML154 potently inhibits NPS-stimulated cellular calcium, cAMP, and ERK phosphorylation responses with IC50 values of 36.5 nM, 22.1 nM, and 9.3 nM, respectively[1][2].

5,6,8-trihydroxy-2,3-dimethyl-9-{5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl}benzo[g]chromen-4-one

C30H24O10 (544.1369)

(1s,2r,3r,15r,28r)-3,7,9,22,24,28-hexahydroxy-11,20-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0⁶,¹⁵.0⁸,¹³.0¹⁸,²³.0²⁵,²⁹]nonacosa-6,8,10,12,17(29),18,20,22,24-nonaene-5,14,26-trione

(1s,2r,3r,15r,28r)-3,7,9,22,24,28-hexahydroxy-11,20-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0⁶,¹⁵.0⁸,¹³.0¹⁸,²³.0²⁵,²⁹]nonacosa-6,8,10,12,17(29),18,20,22,24-nonaene-5,14,26-trione

C30H24O10 (544.1369)

(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-(2-hydroxy-6-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-3-yl benzoate

C27H28O12 (544.1581)

(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-4-yl benzoate

C27H28O12 (544.1581)

2-hydroxy-6-[hydroxy({4,6,9,10-tetrahydroxy-5,13-dioxo-8h,9h,10h,12ah-indeno[1,2-a]anthracen-8a-yl})methyl]-4-methylbenzoic acid

C30H24O10 (544.1369)

(1s,4r,15s,26s,27s)-8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

C29H20O11 (544.1006)

2,5-bis(4-hydroxyphenyl)-4-{[(2z)-3-[(2s,3s)-3-methyloxiran-2-yl]prop-2-enoyl]oxy}-3,6-dioxocyclohexa-1,4-dien-1-yl (2z)-3-[(2s,3s)-3-methyloxiran-2-yl]prop-2-enoate

C30H24O10 (544.1369)

(1r,5s,6s,13s,21r)-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 (544.1369)

(1s,5s,6s,13r,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 (544.1369)

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

C27H28O12 (544.1581)

(1r,6r,7r,13s,21r)-7,13-bis(4-hydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol

C30H24O10 (544.1369)

[(1s,4ar,5s,6r,7s,7as)-6-chloro-5,7-dihydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

[(1s,4ar,5s,6r,7s,7as)-6-chloro-5,7-dihydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

C24H29ClO12 (544.1347)

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)oxan-2-yl]methyl benzoate

C27H28O12 (544.1581)

1-o-methyl-3,5-o-dicaffeoyl quinic acid methyl ester

1-o-methyl-3,5-o-dicaffeoyl quinicacid methylester

C27H28O12 (544.1581)

{"Ingredient_id": "HBIN002919","Ingredient_name": "1-o-methyl-3,5-o-dicaffeoyl quinic acid methyl ester","Alias": "1-o-methyl-3,5-o-dicaffeoyl quinicacid methylester","Ingredient_formula": "C27H28O12","Ingredient_Smile": "CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31584;14285","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

3-O-trans-feruloylquinic acid

C27H28O12 (544.1581)

{"Ingredient_id": "HBIN009386","Ingredient_name": "3-O-trans-feruloylquinic acid","Alias": "NA","Ingredient_formula": "C27H28O12","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)OC(=O)C=CC3=CC(=C(C=C3)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40045","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(2s,4s)-4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5,7-trihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

C27H28O12 (544.1581)

(1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate

C26H28N2O11 (544.1693)

(2s,3s,4r)-4-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

C27H28O12 (544.1581)

methyl (1r,2r,3s,7s,8s,9s,10s,11s)-1-(chloromethyl)-2-hydroxy-8-{[(2z)-2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-9-[(2-methylpropanoyl)oxy]-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate

methyl (1r,2r,3s,7s,8s,9s,10s,11s)-1-(chloromethyl)-2-hydroxy-8-{[(2z)-2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-9-[(2-methylpropanoyl)oxy]-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate

C25H33ClO11 (544.1711)

4-hydroxy-1-[(2s,4s,5s)-4-hydroxy-5-{2-[oxido([(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl phosphonato]oxy)phosphoryl]ethyl}oxolan-2-yl]-5-methyl-2-oxo-5h-1λ⁵-pyrimidine-1,5-bis(ylium)

C17H26N2O14P2 (544.0859)

4,5-dihydroxy-6-[(4-hydroxybenzoyloxy)methyl]-2-(4-hydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C26H24O13 (544.1217)

1,2-diethyl-5,7,8,11,13,16,17,19-octahydroxy-6,18-dimethyl-12-oxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,15,17,19-hexaene-3,10,14,21-tetrone

C26H24O13 (544.1217)

(4r)-4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

C27H28O12 (544.1581)

4,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate

C27H28O12 (544.1581)

5,6,8-trihydroxy-2,3-dimethyl-9-[(2r,3r)-5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl]benzo[g]chromen-4-one

C30H24O10 (544.1369)

(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-3-yl benzoate

C27H28O12 (544.1581)

1-ethyl 3-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl propanedioate

C27H28O12 (544.1581)

2-[(11s,12r)-8,11-dihydroxy-4,12-bis(4-hydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-3-carbonyl]benzene-1,3,5-triol

C30H24O10 (544.1369)

(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-4-yl benzoate

C27H28O12 (544.1581)

(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate

C27H28O12 (544.1581)

1-ethyl 3-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl propanedioate

C27H28O12 (544.1581)

(1s,5r,6r,13r,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 (544.1369)

(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-2-(hydroxymethyl)oxan-3-yl benzoate

C27H28O12 (544.1581)

2,5-bis(4-hydroxyphenyl)-4-{[3-(3-methyloxiran-2-yl)prop-2-enoyl]oxy}-3,6-dioxocyclohexa-1,4-dien-1-yl 3-(3-methyloxiran-2-yl)prop-2-enoate

C30H24O10 (544.1369)

3-[(4-hydroxyphenyl)methylidene]-1-{3-[(4-hydroxyphenyl)methylidene]-2-oxocyclopenta[b]indol-1-yl}cyclopenta[b]indol-2-one

C36H20N2O4 (544.1423)

(1r,3r,4s,5s)-3,4-dihydroxy-1,5-bis({[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid

C27H28O12 (544.1581)

(2s,3s,4r)-4-{[(2s,4s,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

C27H28O12 (544.1581)

[(2r,3s,4s,5r,6s)-6-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C26H24O13 (544.1217)

methyl 1-(chloromethyl)-2-hydroxy-8-{[2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-9-[(2-methylpropanoyl)oxy]-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate

C25H33ClO11 (544.1711)

5-[(3r,4s,11s,12r)-8,11-dihydroxy-4,12-bis(4-hydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-3-carbonyl]benzene-1,2,3-triol

C30H24O10 (544.1369)

11,12,16-trimethyl (1r,12s,13r,16s,17s,23r)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

11,12,16-trimethyl (1r,12s,13r,16s,17s,23r)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

C26H28N2O11 (544.1693)

3-[(4-hydroxyphenyl)methylidene]-1-[(3e)-3-[(4-hydroxyphenyl)methylidene]-2-oxocyclopenta[b]indol-1-yl]cyclopenta[b]indol-2-one

C36H20N2O4 (544.1423)

4,5,6-trihydroxy-2,3-dimethyl-9-[(2s,3s)-5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl]cyclohexa[g]chromen-8-one

C30H24O10 (544.1369)

[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)oxan-2-yl]methyl benzoate

C27H28O12 (544.1581)

ethyl (1s,3r,4r,5r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate

C27H28O12 (544.1581)

2,3-bis(2,4-dihydroxybenzoyl)-4-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1,6,7-triol

C30H24O10 (544.1369)

1-ethyl 3-(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl propanedioate

C27H28O12 (544.1581)

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}oxan-2-yl]methyl benzoate

C27H28O12 (544.1581)

(1s,5r,6s,13r,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 (544.1369)

(1s,2r,3s,15r,28s)-3,5,9,22,24,28-hexahydroxy-11,20-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0⁶,¹⁵.0⁸,¹³.0¹⁸,²³.0²⁵,²⁹]nonacosa-5,8,10,12,17(29),18,20,22,24-nonaene-7,14,26-trione

(1s,2r,3s,15r,28s)-3,5,9,22,24,28-hexahydroxy-11,20-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0⁶,¹⁵.0⁸,¹³.0¹⁸,²³.0²⁵,²⁹]nonacosa-5,8,10,12,17(29),18,20,22,24-nonaene-7,14,26-trione

C30H24O10 (544.1369)

(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-{2-hydroxy-6-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate

C27H28O12 (544.1581)

8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

C29H20O11 (544.1006)

(3z)-3-[(4-hydroxyphenyl)methylidene]-1-[(3z)-3-[(4-hydroxyphenyl)methylidene]-2-oxocyclopenta[b]indol-1-yl]cyclopenta[b]indol-2-one

C36H20N2O4 (544.1423)

2-[(s)-[(8as,9s,10r,12ar)-4,6,9,10-tetrahydroxy-5,13-dioxo-8h,9h,10h,12ah-indeno[1,2-a]anthracen-8a-yl](hydroxy)methyl]-6-hydroxy-4-methylbenzoic acid

C30H24O10 (544.1369)

10,15,16-trihydroxy-8-methoxy-3-methyl-1,9,14-trioxo-3,4,6,7-tetrahydro-2-oxahexaphen-7-yl propanoate

C30H24O10 (544.1369)

9,17-dihydroxy-5,10,16,21-tetramethoxy-13-methyl-7,19-dioxohexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(15),2(11),3(8),4(22),5,9,12,16,18(23),20-decaen-12-yl acetate

C30H24O10 (544.1369)

6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate

C26H28N2O11 (544.1693)

(2r,3s,4s,5r,6s)-4,5-dihydroxy-6-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-2-(hydroxymethyl)oxan-3-yl benzoate

C27H28O12 (544.1581)

3,5,9,22,24,28-hexahydroxy-11,20-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0⁶,¹⁵.0⁸,¹³.0¹⁸,²³.0²⁵,²⁹]nonacosa-5,8,10,12,17(29),18,20,22,24-nonaene-7,14,26-trione

C30H24O10 (544.1369)

4,5,6-trihydroxy-2,3-dimethyl-9-{5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl}cyclohexa[g]chromen-8-one

C30H24O10 (544.1369)

(7r)-10,15,16-trihydroxy-8-methoxy-3-methyl-1,9,14-trioxo-3,4,6,7-tetrahydro-2-oxahexaphen-7-yl propanoate

C30H24O10 (544.1369)

(6-chloro-5,7-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoate

C24H29ClO12 (544.1347)

(1s,4r,15r,26s,27r)-8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

C29H20O11 (544.1006)

(1s,4ar,12as)-3-acetyl-4a-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,6,7,9-tetrahydroxy-1-methoxy-12,12a-dihydro-1h-tetracene-2,5-dione

C27H28O12 (544.1581)

(1s,2s,11s,13s)-1,2-diethyl-5,7,8,11,13,16,17,19-octahydroxy-6,18-dimethyl-12-oxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,15,17,19-hexaene-3,10,14,21-tetrone

C26H24O13 (544.1217)

11,12,16-trimethyl 18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

C26H28N2O11 (544.1693)

12,13-diacetyl-9,16-dihydroxy-5,10,15,20-tetramethoxyhexacyclo[12.8.0.0²,¹¹.0³,⁸.0⁴,²¹.0¹⁷,²²]docosa-1(14),2(11),3(8),4(21),5,9,15,17(22),19-nonaene-7,18-dione

C30H24O10 (544.1369)

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

C27H28O12 (544.1581)

4,5-dihydroxy-6-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-2-(hydroxymethyl)oxan-3-yl benzoate

C27H28O12 (544.1581)

4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5,7-trihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

C27H28O12 (544.1581)

[6-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C26H24O13 (544.1217)

1,1',5',9,9'-pentahydroxy-3,3',10a,10'a-tetramethyl-5'h-[2,2'-bixanthene]-5,8,8'-trione

C30H24O10 (544.1369)

4,5-dihydroxy-2-{2-hydroxy-6-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate

C27H28O12 (544.1581)

(5's,10ar,10'ar)-1,1',5',9,9'-pentahydroxy-3,3',10a,10'a-tetramethyl-5'h-[2,2'-bixanthene]-5,8,8'-trione

C30H24O10 (544.1369)

11,12,16-trimethyl (1r,12r,13r,16s,17s,23r)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

11,12,16-trimethyl (1r,12r,13r,16s,17s,23r)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate

C26H28N2O11 (544.1693)