Exact Mass: 528.0904

Exact Mass Matches: 528.0904

Found 120 metabolites which its exact mass value is equals to given mass value 528.0904, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP-3,4-dioxo-2,6-dideoxy-D-glucose

dTDP-3,4-dioxo-2,6-dideoxy-D-glucose; dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose

C16H22N2O14P2 (528.0546)


   

dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose

[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2R,6R)-4-hydroxy-6-methyl-5-oxo-2H-pyran-2-yl] hydrogen phosphate

C16H22N2O14P2 (528.0546)


   

dTDP-3,4-dioxo-2,6-dideoxy-L-glucose

dTDP-3,4-dioxo-2,6-dideoxy-L-glucose

C16H22N2O14P2 (528.0546)


   

dTDP 1-ester with (6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran

dTDP 1-ester with (6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran

C16H22N2O14P2 (528.0546)


   

(5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid

(5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid

C21H20O14S (528.0574)


   

Cefquinome

1-({7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)-5,6,7,8-tetrahydroquinolin-1-ium

C23H24N6O5S2 (528.125)


   

Lactose citrate

1,8,9,10-tetrahydroxy-5-(hydroxymethyl)-7-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,6,11,15-tetraoxatricyclo[7.3.3.0^{5,10}]pentadecane-3,12,14-trione

C18H24O18 (528.0963)


   

Calcium lignosulfonate

calcium 3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate

C20H24CaO10S2 (528.0437)


D001697 - Biomedical and Dental Materials It is used as a food additive .

   

CHLOROCYCLINONE C

CHLOROCYCLINONE C

C26H21ClO10 (528.0823)


   
   

Kaempferol 3-beta-(6-sulfatoglucoside)

3,5,7,4-Tetrahydroxyflavone 3-beta- (6"-sulfatoglucoside)

C21H20O14S (528.0574)


   

Luteolin 7-sulfate-3-glucoside

Luteolin 7-sulfate-3-glucoside

C21H20O14S (528.0574)


   

Kaempferol 3-(3-sulfatoglucoside)

Kaempferol 3-(3-sulfatoglucoside)

C21H20O14S (528.0574)


   
   

Thalassiolin A

2- (3,4-Dihydroxyphenyl) -5-hydroxy-7- [ (2-O-sulfo-beta-D-glucopyranosyl) oxy ] -4H-1-benzopyran-4-one

C21H20O14S (528.0574)


   

Orientin 7-O-sulfate

Orientin 7-O-sulfate

C21H20O14S (528.0574)


   

Isoorientin 7-O-sulfate

Isoorientin 7-O-sulfate

C21H20O14S (528.0574)


   

Quercetin 3-rhamnoside-3-sulfate

3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-one

C21H20O14S (528.0574)


   

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate

C26H24O12 (528.1268)


   

HAEMATOXYLIN PENTAACETATE

HAEMATOXYLIN PENTAACETATE

C26H24O12 (528.1268)


   

Malvidin 3-O-galactoside

Malvidin 3-O-galactoside

C23H25ClO12 (528.1034)


   

O-Sulfate-Quercitrin

O-Sulfate-Quercitrin

C21H20O14S (528.0574)


   

O-(4-deoxy-alpha-L-erythro-hex-4-enopyranosyluronic acid)-(1<*>4)-O-(beta-D-mannopyranuronic acid)-(1<*>4)-O-D-mannopyranuronic acid

O-(4-deoxy-alpha-L-erythro-hex-4-enopyranosyluronic acid)-(1<*>4)-O-(beta-D-mannopyranuronic acid)-(1<*>4)-O-D-mannopyranuronic acid

C18H24O18 (528.0963)


   

elenoside|NSC 6440013-W/1

elenoside|NSC 6440013-W/1

C26H24O12 (528.1268)


   

3,5-dihydroxy-2-[(4-hydroxyphenyl)carbonyl]phenyl 6-O-[(4-hydroxyphenyl)carbonyl]-beta-D-glucopyranoside|iriflophenone 2-O-[6-O-(4-hydroxybenzoyl)]-beta-D-glucopyranoside

3,5-dihydroxy-2-[(4-hydroxyphenyl)carbonyl]phenyl 6-O-[(4-hydroxyphenyl)carbonyl]-beta-D-glucopyranoside|iriflophenone 2-O-[6-O-(4-hydroxybenzoyl)]-beta-D-glucopyranoside

C26H24O12 (528.1268)


   
   
   

4,5-di-O-caffeoyldaucic acid

4,5-di-O-caffeoyldaucic acid

C25H20O13 (528.0904)


   

Deoxypurpurogenon

Deoxypurpurogenon

C29H20O10 (528.1056)


   
   
   

hovenin A|{(2R,3R)-3,5,7,5-tetrahydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin-6-yl]-chroman-4-one}

hovenin A|{(2R,3R)-3,5,7,5-tetrahydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin-6-yl]-chroman-4-one}

C26H24O12 (528.1268)


   

Griseorhodin C

Griseorhodin C

C25H20O13 (528.0904)


   
   

1-(3-beta-D-glucosyloxy-4-hydroxyphenyl)-3-hydroxymethyl-4-methoxy-6,7-methylenedioxy-2-naphthoic acid lactone|justalakonin

1-(3-beta-D-glucosyloxy-4-hydroxyphenyl)-3-hydroxymethyl-4-methoxy-6,7-methylenedioxy-2-naphthoic acid lactone|justalakonin

C26H24O12 (528.1268)


   

4-O-(3,4-methylendioxybenzoyl)diphyllin

4-O-(3,4-methylendioxybenzoyl)diphyllin

C29H20O10 (528.1056)


   
   

Oenin

Malvidin-3-O-glucoside chloride OENIN OENIN CHLORIDE ENIN CHLORIDE CYCLAMIN CYCLAMIN CHLORIDE MALVIDIN-3-BETA-GLUCOSIDE MALVIDIN-3-GLUCOSIDE MALVIDIN-3-GLUCOSIDE CHLORIDE MALVIDIN-3-O-GLUCOSIDE CHLORIDE 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydr

C23H25ClO12 (528.1034)


   

Primulin_(anthocyanin)

5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride

C23H25ClO12 (528.1034)


Malvidin 3-galactoside is an anthocyanidin glycoside.

   

(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

NCGC00385232-01!(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

C25H20O13 (528.0904)


   

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate

NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate

C26H24O12 (528.1268)


   

(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid [IIN-based: Match]

NCGC00385232-01!(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid [IIN-based: Match]

C25H20O13 (528.0904)


   

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based: Match]

NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based: Match]

C26H24O12 (528.1268)


   

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based on: CCMSLIB00000847571]

NCGC00380722-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based on: CCMSLIB00000847571]

C26H24O12 (528.1268)


   

N2-Aristololactam-II-deoxyguanosine

N2-Aristololactam-II-deoxyguanosine

C26H20N6O7 (528.1393)


   

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate_major

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate_major

C26H24O12 (528.1268)


   

HAEMATOXYLIN PENTAACETATE_major

HAEMATOXYLIN PENTAACETATE_major

C26H24O12 (528.1268)


   
   

Imcarbofos

Imcarbofos

C17H30N4O7P2S2 (528.1031)


C254 - Anti-Infective Agent > C276 - Antiparasitic Agent

   

nickel(2+),1-[[6-[(2-oxidonaphthalen-1-yl)methylideneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate

nickel(2+),1-[[6-[(2-oxidonaphthalen-1-yl)methylideneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate

C29H18N4NiO3 (528.0732)


   
   

[1,1-Binaphthalene]-2,2-diol, 3,3-bis(4-nitrophenyl)-, (1S)

[1,1-Binaphthalene]-2,2-diol, 3,3-bis(4-nitrophenyl)-, (1S)

C32H20N2O6 (528.1321)


   

Sivelestat Sodium

Sivelestat Sodium tetrahydrate

C20H29N2NaO11S (528.139)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucose(2-)

dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucose(2-)

C16H22N2O14P2-2 (528.0546)


   

dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose

dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose

C16H22N2O14P2-2 (528.0546)


   

dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose

dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose

C17H28N3O12P2- (528.1148)


   

3-Phosphoglycerate-factor420-0

3-Phosphoglycerate-factor420-0

C19H19N3O13P-3 (528.0655)


   

dTDP-4-keto-2,6-dideoxy-alpha-D-allose

dTDP-4-keto-2,6-dideoxy-alpha-D-allose

C16H22N2O14P2-2 (528.0546)


   

dTDP-4-keto-2,6-dideoxy-beta-L-galactose

dTDP-4-keto-2,6-dideoxy-beta-L-galactose

C16H22N2O14P2-2 (528.0546)


   

dTDP-3-amino-4-dehydro-2,3,6-trideoxy-alpha-D-glucose

dTDP-3-amino-4-dehydro-2,3,6-trideoxy-alpha-D-glucose

C16H24N3O13P2- (528.0784)


   

dTDP-3-amino-4-dehydro-2,3,6-trideoxy-beta-L-glucose

dTDP-3-amino-4-dehydro-2,3,6-trideoxy-beta-L-glucose

C16H24N3O13P2- (528.0784)


   

dTDP-4-oxo-2,6-dideoxy-alpha-L-glucose

dTDP-4-oxo-2,6-dideoxy-alpha-L-glucose

C16H22N2O14P2-2 (528.0546)


   

(2S,3R,4S)-2-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

(2S,3R,4S)-2-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

C18H24O18 (528.0963)


   

4-O-[4-O-(4-Deoxy-beta-L-threo-hexa-4-enopyranuronosyl)-alpha-D-galactopyranuronosyl]-alpha-D-galactopyranuronic acid

4-O-[4-O-(4-Deoxy-beta-L-threo-hexa-4-enopyranuronosyl)-alpha-D-galactopyranuronosyl]-alpha-D-galactopyranuronic acid

C18H24O18 (528.0963)


   

7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C23H24N6O5S2 (528.125)


   

1,8,9,10-Tetrahydroxy-5-(hydroxymethyl)-7-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,6,11,15-tetraoxatricyclo[7.3.3.05,10]pentadecane-3,12,14-trione

1,8,9,10-Tetrahydroxy-5-(hydroxymethyl)-7-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,6,11,15-tetraoxatricyclo[7.3.3.05,10]pentadecane-3,12,14-trione

C18H24O18 (528.0963)


   

4-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide

4-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide

C23H17ClN4O7S (528.0506)


   

3-[[2-(4-Bromophenyl)-1-oxoethyl]amino]-3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]propanamide

3-[[2-(4-Bromophenyl)-1-oxoethyl]amino]-3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]propanamide

C24H22BrFN4O4 (528.0808)


   

N-[[(4S,5S)-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]-4-fluoro-N-methylbenzamide

N-[[(4S,5S)-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]-4-fluoro-N-methylbenzamide

C22H26BrFN2O5S (528.073)


   

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

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

C22H26BrFN2O5S (528.073)


   

6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid

6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid

C21H20O14S (528.0574)


   

dTDP-3,4-didehydro-2,6-dideoxy-D-glucose

dTDP-3,4-didehydro-2,6-dideoxy-D-glucose

C16H22N2O14P2 (528.0546)


   

3,4,5-trihydroxy-6-[[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-sulino-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid

3,4,5-trihydroxy-6-[[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-sulino-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid

C22H24O13S (528.0938)


   

(3R,4S)-2-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

(3R,4S)-2-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

C18H24O18 (528.0963)


   

(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

C25H20O13 (528.0904)


   

3-[2-O-(4-Hydroxybenzoyl)-beta-D-glucopyranosyl]-2,4,4,6-tetrahydroxybenzophenone

3-[2-O-(4-Hydroxybenzoyl)-beta-D-glucopyranosyl]-2,4,4,6-tetrahydroxybenzophenone

C26H24O12 (528.1268)


   
   

dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose

dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose

C16H22N2O14P2 (528.0546)


A dTDP-sugar having 3,4-didehydro-2,6-dideoxy-alpha-D-glucose as the sugar component.

   

[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2R,6R)-4-hydroxy-6-methyl-5-oxo-2H-pyran-2-yl] hydrogen phosphate

[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2R,6R)-4-hydroxy-6-methyl-5-oxo-2H-pyran-2-yl] hydrogen phosphate

C16H22N2O14P2 (528.0546)


   

dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose(2-)

dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose(2-)

C16H22N2O14P2 (528.0546)


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-4-dehydro-2,6-dideoxy-alpha-D-glucose; major species at pH 7.3.

   

dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-)

dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-)

C17H28N3O12P2 (528.1148)


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3.

   

(5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid

(5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid

C21H20O14S (528.0574)


   

dTDP 1-ester with (6R)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran

dTDP 1-ester with (6R)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran

C16H22N2O14P2 (528.0546)


   

3-Carboxy-1-hydroxypropylthiamine diphosphate

3-Carboxy-1-hydroxypropylthiamine diphosphate

C16H26N4O10P2S (528.0845)


A 1,3-thiazolium cation that is 1,3-thiazol-3-ium substituted by a methyl group at position 4, a (4-amino-2-methylpyrimidin-5-yl)methyl group at position 3, a 3-carboxy-1-hydroxypropyl at position 2 and a 2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl group at position 5.

   

KRAS G12C inhibitor 19

KRAS G12C inhibitor 19

C25H19ClF2N4O3S (528.0834)


KRAS G12C inhibitor 19 is a potent inhibitor of KRAS G12C. KRAS G12C inhibitor 19 significantly inhibits tumor growth (extracted from patent WO2021118877A1)[1].

   

PSB-603

PSB-603

C24H25ClN6O4S (528.1346)


PSB-603 is a potent and highly selective A2B adenosine receptor antagonist exhibiting a Ki value of 0.553 nM and virtually no affinity for the human and rat A1 and A2A and the human A3 receptors up to a concentration of 10 μM[1].

   

UGT8-IN-1

UGT8-IN-1

C20H22F6N4O4S (528.1266)


UGT8-IN-1 is a brain penetrable and orally active inhibitor of ceramide galactosyltransferase enzyme (UGT8). UGT8-IN-1 can be used in the study for lysosomal storage disorders[1].

   

3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydro-2h-pyran-2,6-dicarboxylic acid

3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydro-2h-pyran-2,6-dicarboxylic acid

C25H20O13 (528.0904)


   

4,5,6-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}cyclohexa[g]chromen-8-one

4,5,6-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}cyclohexa[g]chromen-8-one

C29H20O10 (528.1056)


   

8,11,16,20,27-pentahydroxy-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

8,11,16,20,27-pentahydroxy-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

C29H20O10 (528.1056)


   

[(1s,4as,5s,6s,7r,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 (2e)-3-phenylprop-2-enoate

[(1s,4as,5s,6s,7r,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 (2e)-3-phenylprop-2-enoate

C24H29ClO11 (528.1398)


   

(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-phenylprop-2-enoate

(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-phenylprop-2-enoate

C24H29ClO11 (528.1398)


   

(2s,3r,4s)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydro-2h-pyran-2,6-dicarboxylic acid

(2s,3r,4s)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydro-2h-pyran-2,6-dicarboxylic acid

C25H20O13 (528.0904)


   

(2r,3r,3'r,4's,9r,9as)-3,3',4,4',9,10'-hexahydroxy-7-methoxy-7'-methyl-3',4',9,9a-tetrahydro-3h-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-5,8,9'-trione

(2r,3r,3'r,4's,9r,9as)-3,3',4,4',9,10'-hexahydroxy-7-methoxy-7'-methyl-3',4',9,9a-tetrahydro-3h-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-5,8,9'-trione

C25H20O13 (528.0904)


   

[(1s,4ar,5s,6s,7r,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 (2e)-3-phenylprop-2-enoate

[(1s,4ar,5s,6s,7r,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 (2e)-3-phenylprop-2-enoate

C24H29ClO11 (528.1398)


   

10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one

10,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6,8,10,14,19(24),20,22-nonaen-5-one

C27H22Cl2O7 (528.0743)


   

9-chloro-6,10-dihydroxy-19,20-dimethoxy-23-methyl-4,22-dioxa-13,14-dithia-3,23-diazahexacyclo[10.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁶,²¹]tetracosa-7,16,18,20-tetraene-2,24-dione

9-chloro-6,10-dihydroxy-19,20-dimethoxy-23-methyl-4,22-dioxa-13,14-dithia-3,23-diazahexacyclo[10.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁶,²¹]tetracosa-7,16,18,20-tetraene-2,24-dione

C21H21ClN2O8S2 (528.0428)


   

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

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

C26H24O12 (528.1268)


   

4-(2h-1,3-benzodioxol-5-yl)-6-hydroxy-9-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one

4-(2h-1,3-benzodioxol-5-yl)-6-hydroxy-9-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one

C26H24O12 (528.1268)


   

10-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-16-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one

10-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-16-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one

C26H24O12 (528.1268)


   

(1s,2s,3r,11r,14r)-2-hydroxy-3-(1h-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione

(1s,2s,3r,11r,14r)-2-hydroxy-3-(1h-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione

C23H20N4O3S4 (528.0418)


   

methyl 2-chloro-6,8-dihydroxy-9-[(1s)-1-[(2-hydroxyacetyl)oxy]ethyl]-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

methyl 2-chloro-6,8-dihydroxy-9-[(1s)-1-[(2-hydroxyacetyl)oxy]ethyl]-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

C26H21ClO10 (528.0823)


   

(1r,4r,15r,26r,27s)-8,11,16,20,27-pentahydroxy-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

(1r,4r,15r,26r,27s)-8,11,16,20,27-pentahydroxy-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

C29H20O10 (528.1056)


   

(1r,5s,6r,9r,10r,12r,15r)-9-chloro-6,10-dihydroxy-19,20-dimethoxy-23-methyl-4,22-dioxa-13,14-dithia-3,23-diazahexacyclo[10.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁶,²¹]tetracosa-7,16,18,20-tetraene-2,24-dione

(1r,5s,6r,9r,10r,12r,15r)-9-chloro-6,10-dihydroxy-19,20-dimethoxy-23-methyl-4,22-dioxa-13,14-dithia-3,23-diazahexacyclo[10.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁶,²¹]tetracosa-7,16,18,20-tetraene-2,24-dione

C21H21ClN2O8S2 (528.0428)


   

methyl 2-chloro-6,8-dihydroxy-9-{1-[(2-hydroxyacetyl)oxy]ethyl}-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

methyl 2-chloro-6,8-dihydroxy-9-{1-[(2-hydroxyacetyl)oxy]ethyl}-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

C26H21ClO10 (528.0823)


   

(1r,2r,5r,9s,10s)-5-ethenyl-2-hydroxy-5,11,11-trimethyl-8,15-dioxo-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadec-6-en-9-yl 4-bromobenzoate

(1r,2r,5r,9s,10s)-5-ethenyl-2-hydroxy-5,11,11-trimethyl-8,15-dioxo-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadec-6-en-9-yl 4-bromobenzoate

C27H29BrO6 (528.1147)


   

(17r)-8,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6(11),7,9,14,19(24),20,22-nonaen-5-one

(17r)-8,20-dichloro-3,7,9,21-tetrahydroxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁹,²⁴]pentacosa-2,4(13),6(11),7,9,14,19(24),20,22-nonaen-5-one

C27H22Cl2O7 (528.0743)


   

3,3',4,4',9,10'-hexahydroxy-7-methoxy-7'-methyl-3',4',9,9a-tetrahydro-3h-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-5,8,9'-trione

3,3',4,4',9,10'-hexahydroxy-7-methoxy-7'-methyl-3',4',9,9a-tetrahydro-3h-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-5,8,9'-trione

C25H20O13 (528.0904)


   

(1s,2s,3r,11r,14s)-2-hydroxy-3-(1h-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione

(1s,2s,3r,11r,14s)-2-hydroxy-3-(1h-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione

C23H20N4O3S4 (528.0418)


   

[(2s,4s,5r)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

[(2s,4s,5r)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

C21H20O14S (528.0574)


   

5-methylheptyl 3,5-dichloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate

5-methylheptyl 3,5-dichloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate

C25H30Cl2O8 (528.1318)


   

4-(2h-1,3-benzodioxol-5-yl)-6-hydroxy-9-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one

4-(2h-1,3-benzodioxol-5-yl)-6-hydroxy-9-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h-naphtho[2,3-c]furan-1-one

C26H24O12 (528.1268)


   

{6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoate

{6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxybenzoate

C26H24O12 (528.1268)


   

(1'r,2r,3's,4's,5r,7'r,10'r)-4'-(acetyloxy)-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-3,9',13'-trioxo-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecan]-3'-yl acetate

(1'r,2r,3's,4's,5r,7'r,10'r)-4'-(acetyloxy)-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-3,9',13'-trioxo-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecan]-3'-yl acetate

C22H28N2O9S2 (528.1236)


   

10-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-16-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one

10-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-16-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one

C26H24O12 (528.1268)


   

2-hydroxy-3-(1h-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione

2-hydroxy-3-(1h-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0¹,¹².0³,¹¹.0⁴,⁹]icosa-4,6,8-triene-13,19-dione

C23H20N4O3S4 (528.0418)


   

[(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

[(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

C26H24O12 (528.1268)


   

[5-(5,7-dihydroxy-4-oxo-3-{[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid

[5-(5,7-dihydroxy-4-oxo-3-{[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid

C21H20O14S (528.0574)