Exact Mass: 517.1097554

Exact Mass Matches: 517.1097554

Found 65 metabolites which its exact mass value is equals to given mass value 517.1097554, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP-4-amino-2,4-dideoxy-beta-L-xylose

dTDP-4-amino-2,4-dideoxy-beta-L-xylose

C15H25N3O13P2 (517.086258)


   

4beta-(2-Aminoethylthio)epicatechin 3-gallate

4-[(2-Aminoethyl)sulphanyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C24H23NO10S (517.1042618)


4beta-(2-Aminoethylthio)epicatechin 3-gallate is found in alcoholic beverages. 4beta-(2-Aminoethylthio)epicatechin 3-gallate is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). 4beta-(2-Aminoethylthio)epicatechin 3-gallate is found in alcoholic beverages and fruits.

   

Neoacrimarine J

1,6-dihydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-14-yl}oxy)-3-methoxy-9,10-dihydroacridin-9-one

C28H23NO9 (517.1372748)


Neoacrimarine J is found in citrus. Neoacrimarine J is an alkaloid from the roots of Citrus paradisi (grapefruit Alkaloid from the roots of Citrus paradisi (grapefruit). Neoacrimarine J is found in citrus.

   

Vitisin B

11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium

C25H25O12 (517.134595)


Vitisin B is found in alcoholic beverages. Vitisin B is a constituent of some red wines.

   

Mdz-glucuronide

6-{[12-chloro-9-(2-fluorophenyl)-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H21ClFN3O7 (517.1051998)


   

5-Carboxypyranocyanidin 3-O-beta-glucopyranoside

7-carboxy-3-(3,4-dihydroxyphenyl)-11-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C24H21O13 (517.0982116)


5-carboxypyranocyanidin 3-o-beta-glucopyranoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. 5-carboxypyranocyanidin 3-o-beta-glucopyranoside is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 5-carboxypyranocyanidin 3-o-beta-glucopyranoside can be found in garden onion, which makes 5-carboxypyranocyanidin 3-o-beta-glucopyranoside a potential biomarker for the consumption of this food product.

   
   

5-Carboxypyranocyanidin 3-O-beta-glucopyranoside

2- (3,4-Dihydroxyphenyl) -3- (beta-D-glucopyranosyloxy) -7-hydroxy-10-carboxy-5,4- (epoxyetheno) -1-benzopyrylium

C24H21O13 (517.0982116)


   
   

methyl (2S)-6-[(beta-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-1-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1H-indole-2-carboxylate|oleracein G

methyl (2S)-6-[(beta-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-1-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1H-indole-2-carboxylate|oleracein G

C25H27NO11 (517.1584032000001)


   
   

Fenticonazole nitrate

Fenticonazole nitrate

C24H21Cl2N3O4S (517.0629766000001)


D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

4-Hydroxymidazolam glucuronide

4-Hydroxymidazolam beta-D-Glucuronide

C24H21ClFN3O7 (517.1051998)


   

α-Hydroxymidazolam glucuronide

α-Hydroxymidazolam glucuronide

C24H21ClFN3O7 (517.1051998)


   
   

Neoacrimarine J

1,6-dihydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,5,7,9-tetraen-14-yl}oxy)-3-methoxy-9,10-dihydroacridin-9-one

C28H23NO9 (517.1372748)


   

Vitisin B

11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2$l^{4},8-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(12),2,4,6,9(13),10-hexaen-2-ylium

C25H25O12 (517.134595)


   

4beta-(2-Aminoethylthio)epicatechin 3-gallate

4-[(2-aminoethyl)sulfanyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C24H23NO10S (517.1042618)


   

5-Carboxypyranocyanidin 3-O-beta-glucopyranoside

5-Carboxypyranocyanidin 3-O-beta-glucopyranoside

C24H21O13+ (517.0982116)


   

9,10-Dihydro-9,10-bis(2-carboxyethyl)-N-(4-nitrophenyl)-10,9-(epoxyimino)anthracene-12-carboxamide

9,10-Dihydro-9,10-bis(2-carboxyethyl)-N-(4-nitrophenyl)-10,9-(epoxyimino)anthracene-12-carboxamide

C27H23N3O8 (517.1485078000001)


   

3-Iodo-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluor omethyl)phenyl}benzamide

3-Iodo-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluor omethyl)phenyl}benzamide

C21H23F3IN3O (517.0837894)


   
   

MGCD-265

N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

C26H20FN5O2S2 (517.1042392)


   

Tegobuvir

Tegobuvir

C25H14F7N5 (517.1137368)


C254 - Anti-Infective Agent > C281 - Antiviral Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

   
   

DISODIUM FOLINATE

Levoleucovorin disodium

C20H21N7Na2O7 (517.1297796)


V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AF - Detoxifying agents for antineoplastic treatment

   

Agerafenib

Agerafenib

C24H22F3N5O5 (517.1572958)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors Agerafenib (CEP-32496; RXDX-105) is a highly potent and orally efficacious inhibitor of BRAFV600E with a Kd of 14 nM.

   

Talampicillin hydrochloride

Talampicillin hydrochloride

C24H24ClN3O6S (517.1074274)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   
   

(E)-N-(2-(2-(1-(3-Bromophenyl)ethylidene)hydrazinyl)-2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)ethyl)benzamide

(E)-N-(2-(2-(1-(3-Bromophenyl)ethylidene)hydrazinyl)-2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)ethyl)benzamide

C25H20BrN5O3 (517.0749430000001)


   

N-4-(2,3-Bis(bis(carboxymethyl)amino)propyl)phenyl bromoacetamide

N-4-(2,3-Bis(bis(carboxymethyl)amino)propyl)phenyl bromoacetamide

C19H24BrN3O9 (517.0695834)


   

(7R)-9-acetyl-1-allyl-2,7-difluoro-10-methyl-6H-spiro[chromeno[3,4:5,6]pyrano[2,3-d]pyrimidine-7,3-indole]-2,6,8(1H,9H)-trione

(7R)-9-acetyl-1-allyl-2,7-difluoro-10-methyl-6H-spiro[chromeno[3,4:5,6]pyrano[2,3-d]pyrimidine-7,3-indole]-2,6,8(1H,9H)-trione

C27H17F2N3O6 (517.1085366)


   

2-[Bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester

2-[Bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester

C20H31F3NO7PS (517.1510862)


   

Vitisin B (vitis vinifera)

Vitisin B (vitis vinifera)

C25H25O12+ (517.134595)


   
   
   

N6-Benzyl adenosine-5-diphosphate

N6-Benzyl adenosine-5-diphosphate

C17H21N5O10P2 (517.0763626)


   

5-((4-((6-Chlorothieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-2-fluorobenzonitrile fumarate

5-((4-((6-Chlorothieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-2-fluorobenzonitrile fumarate

C23H21ClFN5O4S (517.0986748)


   
   

(-)-medicarpin-3-O-glucoside-6-malonate

(-)-medicarpin-3-O-glucoside-6-malonate

C25H25O12- (517.134595)


   

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoate

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoate

C24H21O13- (517.0982116)


   

pelargonidin-3-O-(6-O-malonyl-beta-D-glucoside)

pelargonidin-3-O-(6-O-malonyl-beta-D-glucoside)

C24H21O13- (517.0982116)


   

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoate

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoate

C24H21O13- (517.0982116)


   

2-N,N-dihydroxy-nocardicin c

2-N,N-dihydroxy-nocardicin c

C23H25N4O10- (517.157061)


   

(2S)-2-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-(8-hydroxy-2,4-dioxo-1,5-dihydropyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoic acid

(2S)-2-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-(8-hydroxy-2,4-dioxo-1,5-dihydropyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoic acid

C19H24N3O12P (517.1097554)


   

[3-(4-Hydroxy-3,5-dimethoxyphenyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium

[3-(4-Hydroxy-3,5-dimethoxyphenyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium

C25H25O12+ (517.134595)


   

[7-carboxy-3-(3,4-dihydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium

[7-carboxy-3-(3,4-dihydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium

C24H21O13+ (517.0982116)


   
   

Talampicillin HCl

Talampicillin HCl

C24H24ClN3O6S (517.1074274)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   
   

8-[4-(4-Fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione

8-[4-(4-Fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione

C26H20FN5O6 (517.1397552000001)


   

[7-(Ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate

[7-(Ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate

C23H23N3O9S (517.1154948000001)


   

1-[[(4R,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]-3-cyclopentyl-1-methylurea

1-[[(4R,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]-3-cyclopentyl-1-methylurea

C21H32BrN3O5S (517.1245922)


   

1-[[(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]-3-cyclopentyl-1-methylurea

1-[[(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]-3-cyclopentyl-1-methylurea

C21H32BrN3O5S (517.1245922)


   

benzyl (2S)-2-[[[(E)-4-(5-chloro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-phenoxyphosphoryl]amino]propanoate

benzyl (2S)-2-[[[(E)-4-(5-chloro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-phenoxyphosphoryl]amino]propanoate

C24H25ClN3O6P (517.116943)


   

3,6-diamino-10-(4-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]amino}-4-oxobutyl)acridinium perchlorate

3,6-diamino-10-(4-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]amino}-4-oxobutyl)acridinium perchlorate

C23H24ClN5O7 (517.1364184)


   

(3R,3R,4S,5R)-7-bromo-5-(2-hydroxyethyl)-4-[(4-methoxyphenyl)-dimethylsilyl]-1,3,5-trimethyl-2-spiro[indole-3,2-oxolane]one

(3R,3R,4S,5R)-7-bromo-5-(2-hydroxyethyl)-4-[(4-methoxyphenyl)-dimethylsilyl]-1,3,5-trimethyl-2-spiro[indole-3,2-oxolane]one

C25H32BrNO4Si (517.1283852)


   

4-(5-carboxypentyl)-N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-L-phenylalanine

4-(5-carboxypentyl)-N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-L-phenylalanine

C26H28ClNO8 (517.1503358000001)


   

Mycothiol sulfinamide

Mycothiol sulfinamide

C17H31N3O13S (517.1577516)


The sulfinamide of mycothiol.

   

(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5-adenosine(1-)

(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5-adenosine(1-)

C17H26N8O9P- (517.1560296)


   

1-hydroxymidazolam beta-D-glucuronide

1-hydroxymidazolam beta-D-glucuronide

C24H21ClFN3O7 (517.1051998)


A beta-D-glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl group. It is the glucuronidated conjugate of the midazolam metabolite, 1-hydroxymidazolam.

   

4-Hydroxymidazolam beta-D-Glucuronide

4-Hydroxymidazolam beta-D-Glucuronide

C24H21ClFN3O7 (517.1051998)


A beta-D-glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl group. It is the glucuronidated conjugate of the midazolam metabolite, 4-hydroxymidazolam.

   

(-)-GSK598809 (hydrochloride)

(-)-GSK598809 (hydrochloride)

C22H24ClF4N5OS (517.1326132)


(-)-GSK598809 is an isomer of GSK598809. GSK598809 is a potent and selective dopamine D3 Receptor (DRD3) antagonist. (-)-GSK598809 is an isomer of GSK598809. GSK598809 is a potent and selective dopamine D3 Receptor (DRD3) antagonist.

   

1,6-dihydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3-methoxy-10h-acridin-9-one

1,6-dihydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3-methoxy-10h-acridin-9-one

C28H23NO9 (517.1372748)