Exact Mass: 544.0859236

Exact Mass Matches: 544.0859236

Found 74 metabolites which its exact mass value is equals to given mass value 544.0859236, 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 (544.0859236)


   

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 (544.0859236)


   

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

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

C17H26N2O14P2 (544.0859236)


   

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)

   

8-Hydroxyluteolin 8-glucoside 3'-sulfate

[5-(5,7-Dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulphonic acid

C21H20O15S (544.0522890000001)


8-Hydroxyluteolin 8-glucoside 3-sulfate is found in green vegetables. 8-Hydroxyluteolin 8-glucoside 3-sulfate is isolated from high mallow (Malva sylvestris).

   

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 (544.072252)


   
   

Quercetin 3-(3-sulfatoglucoside)

3,5,7,3,4-Pentahydroxyflavone 3- (3"-sulfatoglucoside)

C21H20O15S (544.0522890000001)


   
   

Hypolaetin 7-sulfate-8-glucoside

2- (3,4-Dihydroxyphenyl) -8- (beta-D-glucopyranosyloxy) -5-hydroxy-7- (sulfooxy) -4H-1-benzopyran-4-one

C21H20O15S (544.0522890000001)


   

Quercetin 3-glucoside-3-sulfate

3- (beta-D-Glucopyranosyloxy) -5,7-dihydroxy-2- [ 4-hydroxy-3- (sulfooxy) phenyl ] -4H-1-benzopyran-4-one

C21H20O15S (544.0522890000001)


   

8-Hydroxyluteolin 8-glucoside-3-sulfate

5,7,8,3,4-Pentahydroxyflavone 8-glucoside-3-sulfate

C21H20O15S (544.0522890000001)


   

(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)


   

[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)


   

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)


   
   
   
   

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)


   
   

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)


   

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].

   

[(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)


   

C23H28O13S

NCGC00380481-01_C23H28O13S_

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[4.3.1.0²,⁵.0³,⁸]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)


   

CAY10406

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

C27H23F3N2O5S (544.1279704)


   

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)


   

8-Hydroxyluteolin 8-glucoside 3'-sulfate

[5-(5,7-dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid

C21H20O15S (544.0522890000001)


   

(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)


   

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

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

C27H23Cl2FN2O5 (544.0967979999999)


   

3,3-Diethylthiatricarbocyanine iodide

3,3-Diethylthiatricarbocyanine iodide

C25H25IN2S2 (544.050384)


   

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

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 (544.114216)


   

diphenyl 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate

diphenyl 3,6-bis(4-chlorophenyl)-1,2,4,5-tetrazine-1,2-dicarboxylate

C28H18Cl2N4O4 (544.0705048)


   

TRIPHENYLPHOSPHINE(2 5-NORBORNADIENE)RH&

TRIPHENYLPHOSPHINE(2 5-NORBORNADIENE)RH&

C25H23BF4PRh- (544.0621496)


   

Tetrabenzylthiuram disulfide

Tetrabenzylthiuram disulfide

C30H28N2S4 (544.1135248)


   

Opigolix

Opigolix

C25H19F3N4O5S (544.1028200000001)


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

   
   

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

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

C18H22N6O10P2 (544.0872612000001)


   

dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)

dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)

C16H22N2O15P2-2 (544.0495402)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   
   

dTDP-4-dehydro-beta-L-rhamnose(2-)

dTDP-4-dehydro-beta-L-rhamnose(2-)

C16H22N2O15P2-2 (544.0495402)


   

dTDP-3-dehydro-6-deoxy-alpha-D-glucose(2-)

dTDP-3-dehydro-6-deoxy-alpha-D-glucose(2-)

C16H22N2O15P2-2 (544.0495402)


   

dTDP-4-dehydro-6-deoxy-alpha-D-gulose(2-)

dTDP-4-dehydro-6-deoxy-alpha-D-gulose(2-)

C16H22N2O15P2-2 (544.0495402)


   

dTDP-3-dehydro-6-deoxy-alpha-D-galactose(2-)

dTDP-3-dehydro-6-deoxy-alpha-D-galactose(2-)

C16H22N2O15P2-2 (544.0495402)


   
   
   

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

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

C17H26N2O14P2 (544.0859236)


   

dTDP-4-dehydro-6-deoxy-D-galactose(2-)

dTDP-4-dehydro-6-deoxy-D-galactose(2-)

C16H22N2O15P2-2 (544.0495402)


   

[(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

[(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 (544.0859236)


   

[(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

[(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 (544.0859236)


   

dTDP-4-dehydro-6-deoxy-L-mannose(2-)

dTDP-4-dehydro-6-deoxy-L-mannose(2-)

C16H22N2O15P2-2 (544.0495402)


   

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

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 (544.0991074000001)


   
   

dTDP-4-dehydro-6-deoxy-beta-D-gulose(2-)

dTDP-4-dehydro-6-deoxy-beta-D-gulose(2-)

C16H22N2O15P2-2 (544.0495402)


   

[(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

[(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 (544.0859236)


   

[5-[5,7-dihydroxy-4-oxo-3-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenyl] hydrogen sulfate

[5-[5,7-dihydroxy-4-oxo-3-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenyl] hydrogen sulfate

C21H20O15S (544.0522890000001)


   
   

(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)


   

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

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

C26H24O13 (544.1216853999999)


   

8-Hydroxyluteolin 8-glucoside 3-sulfate

8-Hydroxyluteolin 8-glucoside 3-sulfate

C21H20O15S (544.0522890000001)


   

dTDP-beta-L-mycarose(2-)

dTDP-beta-L-mycarose(2-)

C17H26N2O14P2 (544.0859236)


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

   

dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)

dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-)

C16H22N2O15P2 (544.0495402)


Dianion of dTDP-4-dehydro-6-deoxy-alpha-D-glucose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is an intermediate in dTDP-rhamnose biosynthesis.

   

dTDP-4-dehydro-6-deoxy-L-mannose(2-)

dTDP-4-dehydro-6-deoxy-L-mannose(2-)

C16H22N2O15P2 (544.0495402)


Dianion of dTDP-4-dehydro-6-deoxy-L-mannose arising from deprotonation of both free OH groups of the diphosphate.

   

TDP-actinospectose(2-)

TDP-actinospectose(2-)

C16H22N2O15P2 (544.0495402)


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of TDP-actinospectose; major species at pH 7.3.

   

ML154

ML154

C29H26BrN2PS (544.0737586)


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].

   

(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

(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 (544.100557)


   

(1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

(1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

C21H24N2O9S3 (544.0643894)


   

[(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 (544.1347464)


   

3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione

C21H24N2O9S3 (544.0643894)