Exact Mass: 549.0880416

Exact Mass Matches: 549.0880416

Found 26 metabolites which its exact mass value is equals to given mass value 549.0880416, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

ACMC-20mm5f

2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

C28H23NO11 (549.1271048)


   

Peonidin 3-(6'-malonyl-glucoside)

3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1lambda4-chromen-1-ylium

C25H25O14+ (549.124425)


Peonidin 3-(6-malonyl-glucoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)

   

Cyanidin 3-(6'-succinyl-glucoside)

3-{[(2S,3R,4S,5S,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium

C25H25O14+ (549.124425)


Cyanidin 3-(6-succinyl-glucoside) is found in strawberry. Cyanidin 3-(6-succinyl-glucoside) is a constituent of Phragmites australis [CCD] Constituent of Phragmites australis [CCD]. Cyanidin 3-(6-succinyl-glucoside) is found in strawberry.

   

Carboxy darafenib

2-{4-[3-(2,6-difluorobenzenesulphonamido)-2-fluorophenyl]-5-(2-imino-1,2-dihydropyrimidin-4-yl)-1,3-thiazol-2-yl}-2-methylpropanoic acid

C23H18F3N5O4S2 (549.0752264)


   

N-(2,6-Difluorophenyl)-2-oxoglycyl-N-((1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl)-L-alaninamide

3-[(2-{[(2,6-difluorophenyl)carbamoyl]formamido}-1-hydroxypropylidene)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate

C22H17F6N3O7 (549.0970643999999)


   

delphinidin 3-O-(6'-O-malonyl)-beta-glucoside

3-{[(3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-oxo-2-(3,4,5-trihydroxyphenyl)-7H-chromen-5-olic acid

C24H21O15 (549.0880416)


Delphinidin 3-o-(6-o-malonyl)-beta-glucoside is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Delphinidin 3-o-(6-o-malonyl)-beta-glucoside can be found in a number of food items such as lemon, other soy product, ceylon cinnamon, and gram bean, which makes delphinidin 3-o-(6-o-malonyl)-beta-glucoside a potential biomarker for the consumption of these food products.

   

Peonidin 3-(6-malonylglucoside)

Peonidin 3-(6-malonylglucoside)

C25H25O14 (549.124425)


   

Cyanidin 3-O-(6-O-succinyl-beta-glucopyranoside)

Cyanidin 3-O-(6-O-succinyl-beta-glucopyranoside)

C25H25O14 (549.124425)


   

Peonidin-3-(6-malonylglucoside)

Peonidin-3-(6-malonylglucoside)

[C25H25O14]+ (549.124425)


   

Cyanidin 3-(6-succinyl-glucoside)

3-{[(2S,3R,4S,5S,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1$l^{4}-chromen-1-ylium

C25H25O14 (549.124425)


   

Peonidin 3-(6-malonyl-glucoside)

3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1$l^{4}-chromen-1-ylium

C25H25O14 (549.124425)


   

acid yellow 25 (c.i. 18835)

acid yellow 25 (c.i. 18835)

C23H20N5NaO6S2 (549.075266)


   

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

C16H23F3N5O7PS2 (549.0728574000001)


   

N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide

N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide

C20H20BrN7O7 (549.060751)


   

(2S)-2-[(5-Benzofuran-2-YL-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid

(2S)-2-[(5-Benzofuran-2-YL-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid

C29H21Cl2NO4S (549.0568286)


   

delphinidin 3-O-(6'-O-malonyl)-beta-glucoside

3-{[(3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-oxo-2-(3,4,5-trihydroxyphenyl)-7H-chromen-5-olic acid

C24H21O15 (549.0880416)


Delphinidin 3-o-(6-o-malonyl)-beta-glucoside is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Delphinidin 3-o-(6-o-malonyl)-beta-glucoside can be found in a number of food items such as lemon, other soy product, ceylon cinnamon, and gram bean, which makes delphinidin 3-o-(6-o-malonyl)-beta-glucoside a potential biomarker for the consumption of these food products. Delphinidin 3-o-(6-o-malonyl)-β-glucoside is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Delphinidin 3-o-(6-o-malonyl)-β-glucoside can be found in a number of food items such as lemon, other soy product, ceylon cinnamon, and gram bean, which makes delphinidin 3-o-(6-o-malonyl)-β-glucoside a potential biomarker for the consumption of these food products.

   

delphinidin 3-O-(6'-O-malonyl)-beta-glucoside

3-{[(3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-7-oxo-2-(3,4,5-trihydroxyphenyl)-7H-chromen-5-olic acid

C24H21O15- (549.0880416)


Delphinidin 3-o-(6-o-malonyl)-beta-glucoside is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Delphinidin 3-o-(6-o-malonyl)-beta-glucoside can be found in a number of food items such as lemon, other soy product, ceylon cinnamon, and gram bean, which makes delphinidin 3-o-(6-o-malonyl)-beta-glucoside a potential biomarker for the consumption of these food products.

   

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate

C15H25N3O15P2 (549.076088)


   

[(2R,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

[(2R,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

C15H25N3O15P2 (549.076088)


   

3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-{[(S)-1-mesyl-2-piperidyl]carbonyl}-L-alanine

3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-{[(S)-1-mesyl-2-piperidyl]carbonyl}-L-alanine

C25H25Cl2N3O5S (549.08919)


   

7-hydroxy-5-oxido-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside

7-hydroxy-5-oxido-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-(carboxylatoacetyl)-beta-D-glucopyranoside

C24H21O15- (549.0880416)


   

Peonidin 3-(6-malonylglucoside)

Peonidin 3-(6-malonylglucoside)

C25H25O14+ (549.124425)


   

2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

C28H23NO11 (549.1271048)


   

KML29

KML29

C24H21F6NO7 (549.1222148)


KML29 is an extremely selective, orally active and irreversible MAGL inhibitor, with IC50 values of 15 nM, 43 nM and 5.9 nM for mouse, rat and human MAGL, respectively. KML29 exhibits minimal cross-reactivity toward other central and peripheral serine hydrolases, including no detectable activity against FAAH[1][2].

   

Cyanidin 3-O-(6'-O-succinyl-beta-glucopyranoside)

Cyanidin 3-O-(6'-O-succinyl-beta-glucopyranoside)

C25H25O14 (549.124425)


   

Peonidin-3-O-(6'-malonyl)-glucoside

Peonidin-3-O-(6'-malonyl)-glucoside

C25H25O14 (549.124425)