Exact Mass: 549.1271

Exact Mass Matches: 549.1271

Found 43 metabolites which its exact mass value is equals to given mass value 549.1271, 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 (549.1271)


   

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+ (549.1244)


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+ (549.1244)


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.

   

o-O-glucuronide rosiglitazone

6-({2-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)(methyl)amino]pyridin-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H27N3O10S (549.1417)


o-O-glucuronide rosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)

   

p-O-glucuronide rosiglitazone

6-({6-[(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)(methyl)amino]pyridin-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H27N3O10S (549.1417)


p-O-glucuronide rosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)

   

N-(S-Nitroso-N-acetyl-D,L-penicillamine)-2-amino-2-deoxy-1,3,4,6-tetra-O-acetyl-beta-D-glucopyranose

[3,4,6-tris(acetyloxy)-5-[2-acetamido-3-methyl-3-(nitrososulfanyl)butanamido]oxan-2-yl]methyl acetate

C21H31N3O12S (549.1628)


   

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 (549.0971)


   

Apigeninidin 5-(5'-caffeylarabinoside)

5-{[(2S,3R,4R,5S)-5-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

C29H25O11 (549.1397)


Apigeninidin 5-(5-caffeylarabinoside) is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Apigeninidin 5-(5-caffeylarabinoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Apigeninidin 5-(5-caffeylarabinoside) can be found in sorghum, which makes apigeninidin 5-(5-caffeylarabinoside) a potential biomarker for the consumption of this food product.

   

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 (549.088)


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 (549.1244)


   

Apigeninidin 5-(5-caffeylarabinoside)

5,7,4-Trihydroxyflavylium 5- (5"-caffeylarabinoside)

C29H25O11 (549.1397)


   

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

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

C25H25O14 (549.1244)


   
   

(8RS)-O3-(3-amino-beta-D-xylo-3,4-dideoxy-hexopyranuronosyl)-8-(2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-4-ureido-L-erythro-L-gluco-2,6-anhydro-4-deoxy-octonic acid|Ezomycin D2|ezomycin-D2

(8RS)-O3-(3-amino-beta-D-xylo-3,4-dideoxy-hexopyranuronosyl)-8-(2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-4-ureido-L-erythro-L-gluco-2,6-anhydro-4-deoxy-octonic acid|Ezomycin D2|ezomycin-D2

C19H27N5O14 (549.1554)


   

Peonidin-3-(6-malonylglucoside)

Peonidin-3-(6-malonylglucoside)

[C25H25O14]+ (549.1244)


   

Asp Asp Asp Trp

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

C23H27N5O11 (549.1707)


   

Asp Asp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C23H27N5O11 (549.1707)


   

Asp Trp Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]butanedioic acid

C23H27N5O11 (549.1707)


   

Trp Asp Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-carboxypropanamido]butanedioic acid

C23H27N5O11 (549.1707)


   

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 (549.1244)


   

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 (549.1244)


   

Carubicin Hydrochloride

Carubicin Hydrochloride

C26H28ClNO10 (549.1402)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors Carubicin hydrochloride is a microbially-derived compound. Carubicin hydrochloride is an effective inhibitor of VHL-defective (VHL?/?) CCRCC cell proliferation. Carubicin hydrochloride also induces apoptosis by a mechanism independent of p53 or hypoxia-inducible factor HIF2. Carubicin hydrochloride has the potential for the research of cancer diseases[1][2].

   

TERT-BUTYL 4-(4-(6-AMINO-5-((R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)PYRIDIN-3-YL)-1H-PYRAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE

TERT-BUTYL 4-(4-(6-AMINO-5-((R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)PYRIDIN-3-YL)-1H-PYRAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE

C26H30Cl2FN5O3 (549.171)


   

[5-[(2-Acetamido-3-methyl-3-nitrososulfanylbutanoyl)amino]-3,4,6-triacetyloxyoxan-2-yl]methyl acetate

[5-[(2-Acetamido-3-methyl-3-nitrososulfanylbutanoyl)amino]-3,4,6-triacetyloxyoxan-2-yl]methyl acetate

C21H31N3O12S (549.1628)


   

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 (549.088)


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- (549.088)


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.

   

Apigeninidin 5-(5-caffeylarabinoside)

Apigeninidin 5-(5-caffeylarabinoside)

C29H25O11+ (549.1397)


   

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 (549.0892)


   

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- (549.088)


   

Peonidin 3-(6-malonylglucoside)

Peonidin 3-(6-malonylglucoside)

C25H25O14+ (549.1244)


   

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 (549.1271)


   

p-O-glucuronide rosiglitazone

p-O-glucuronide rosiglitazone

C24H27N3O10S (549.1417)


   

o-O-glucuronide rosiglitazone

o-O-glucuronide rosiglitazone

C24H27N3O10S (549.1417)


   

KML29

KML29

C24H21F6NO7 (549.1222)


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 (549.1244)


   

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

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

C25H25O14 (549.1244)


   

(2r)-2-({hydroxy[(5s,6s)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl]methylidene}amino)propanoic acid

(2r)-2-({hydroxy[(5s,6s)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl]methylidene}amino)propanoic acid

C28H23NO11 (549.1271)


   

24-ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(29),2(15),3,6(11),13,21,23,27-octaene-5,26-dione

24-ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(29),2(15),3,6(11),13,21,23,27-octaene-5,26-dione

C29H27NO10 (549.1635)


   

5-chloro-3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

5-chloro-3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

C28H24ClN3O7 (549.1303)


   

2-({hydroxy[(5s,6s)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl]methylidene}amino)propanoic acid

2-({hydroxy[(5s,6s)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5h,6h-naphtho[1,2-b]anthracen-2-yl]methylidene}amino)propanoic acid

C28H23NO11 (549.1271)


   

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-1λ⁴-chromen-1-ylium

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-1λ⁴-chromen-1-ylium

[C25H25O14]+ (549.1244)


   

(7r,10s,17s)-24-ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(29),2(15),3,6(11),13,21,23,27-octaene-5,26-dione

(7r,10s,17s)-24-ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(29),2(15),3,6(11),13,21,23,27-octaene-5,26-dione

C29H27NO10 (549.1635)


   

5-chloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

5-chloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione

C28H24ClN3O7 (549.1303)