Exact Mass: 512.0874046

Exact Mass Matches: 512.0874046

Found 72 metabolites which its exact mass value is equals to given mass value 512.0874046, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate

6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate

C23H30Br2O3 (512.056155)


   

Cefamandole nafate

Cefamandole nafate

C19H17N6NaO6S2 (512.0548662000001)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Temocapril hydrochloride

Temocapril (hydrochloride)

C23H29ClN2O5S2 (512.1206334000001)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

   

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

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

C21H20O13S (512.062459)


   

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

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

C21H20O13S (512.062459)


   

I-Bop

7-{3-[3-hydroxy-4-(4-iodophenoxy)but-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl}hept-5-enoic acid

C23H29IO5 (512.1059654)


   
   
   
   

Vitexin 7-O-sulfate

Vitexin 7-O-sulfate

C21H20O13S (512.062459)


   

Isovitexin 7-O-sulfate

5,7,4-Trihydroxyflavone 6-C-glucoside 7-O-sulfate

C21H20O13S (512.062459)


   

3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate

3- (beta-D-Glucopyranosyloxy) -5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid

C21H20O13S (512.062459)


   

Indocarbazostatin D

Indocarbazostatin D

C27H20N4O7 (512.133193)


   

Tuberculatin

9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one

C26H24O11 (512.1318554)


Diphyllin apioside is a natural product found in Justicia patentiflora, Garcinia subelliptica, and other organisms with data available.

   

Galangin 3-O-beta-D-glucoside-8-sulfonate

(-)-Galangin 3-O-beta-D-glucoside-8-sulfonate

C21H20O13S (512.062459)


   

Quercetin pentaacetate

Quercetin pentaacetate

C25H20O12 (512.095472)


   

Sulfemodin-8-O-??-D-glucoside

Sulfemodin-8-O-??-D-glucoside

C21H20O13S (512.062459)


   

apigenin 7-beta-D-glucopyranosyl-2-sulfate|thalassiolin C

apigenin 7-beta-D-glucopyranosyl-2-sulfate|thalassiolin C

C21H20O13S (512.062459)


   
   
   

1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxy)benzoyl-beta-D-glucose|1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-beta-D-glucose

1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxy)benzoyl-beta-D-glucose|1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-beta-D-glucose

C22H24O14 (512.1166003999999)


   
   

(-)-hopeanol|hopeanol

(-)-hopeanol|hopeanol

C29H20O9 (512.110727)


   

3,5-Dichloro-2-O-methylanziaic acid

3,5-Dichloro-2-O-methylanziaic acid

C25H30Cl2O7 (512.136849)


   

4,5-Di-O-methylhiascic acid

4,5-Di-O-methylhiascic acid

C26H24O11 (512.1318554)


   

6-sulfooxy-chrysin 7-glucopyranoside

6-sulfooxy-chrysin 7-glucopyranoside

C21H20O13S (512.062459)


   

O鈥樎?Sulfate-Afzelin

O鈥樎?Sulfate-Afzelin

C21H20O13S (512.062459)


   

3,5-Dichloranziasaeuremethylester

3,5-Dichloranziasaeuremethylester

C25H30Cl2O7 (512.136849)


   

5,6,7,3,4-pentaacetoxyflavone

5,6,7,3,4-pentaacetoxyflavone

C25H20O12 (512.095472)


   

7-(3,5-dihydroxyphenoxy)-3-(2,4,6-trihydroxyphenoxy)dibenzo-p-dioxin-1,2,6,8-tetrol

7-(3,5-dihydroxyphenoxy)-3-(2,4,6-trihydroxyphenoxy)dibenzo-p-dioxin-1,2,6,8-tetrol

C24H16O13 (512.0590886)


   

(-)-tuberculatin|(?)-4-[(D-apio-beta-D-furanosyl)oxy]-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-naphtho[2,3-c]furan-3-one|diphyllin apioside|diphyllin-1-O-beta-D-apiofuranoside|tuberculatin

(-)-tuberculatin|(?)-4-[(D-apio-beta-D-furanosyl)oxy]-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-naphtho[2,3-c]furan-3-one|diphyllin apioside|diphyllin-1-O-beta-D-apiofuranoside|tuberculatin

C26H24O11 (512.1318554)


   

3-methoxyumbilicaric acid|3-Methoxyumilicaric acid

3-methoxyumbilicaric acid|3-Methoxyumilicaric acid

C26H24O11 (512.1318554)


   

alpha-Oxo-2,4,6-trihydroxy-3-[2-(3,4-dihydroxyphenyl)-4-oxo-5,7-dihydroxy-2,3-epoxy-3,4-dihydro-2H-1-benzopyran-3-yl]benzeneacetic acid methyl ester

alpha-Oxo-2,4,6-trihydroxy-3-[2-(3,4-dihydroxyphenyl)-4-oxo-5,7-dihydroxy-2,3-epoxy-3,4-dihydro-2H-1-benzopyran-3-yl]benzeneacetic acid methyl ester

C24H16O13 (512.0590886)


   

daurinol beta-D-glucoside|Daurinol glucoside

daurinol beta-D-glucoside|Daurinol glucoside

C26H24O11 (512.1318554)


   
   

Quercetin acetate

Quercetin acetate

C25H20O12 (512.095472)


   

Peracetate Quercetin

Quercetin pentaacetate

C25H20O12 (512.095472)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.197 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.201

   

3,5-Dichloro-2-O-methylanziaic acid

"3,5-Dichloro-2-O-methylanziaic acid"

C25H30Cl2O7 (512.136849)


   

I-Bop

[1S-[1α,2α(Z),3β(1E,3S*),4α]]-7-[3-[3-hydroxy-4-(4-iodophenoxy)-1-butenyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid

C23H29IO5 (512.1059654)


   

PU-H71

9H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-

C18H21IN6O2S (512.0491396)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents

   

BMS-777607

N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

C25H19ClF2N4O4 (512.1062828)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

3,3-diethyl-2,2-oxathiacarbocyanine iodide

3,3-diethyl-2,2-oxathiacarbocyanine iodide

C25H25IN2O2 (512.0960699999999)


   

9,10-Anthracenedione,2,2-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-

9,10-Anthracenedione,2,2-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-

C30H16N4O5 (512.1120645999999)


   

2-CHLORO-N-(2-(PYRIDIN-3-YLAMINO)PYRIMIDIN-5-YL)-5-(3-(TRIFLUOROMETHYL)BENZAMIDO)BENZAMIDE

2-CHLORO-N-(2-(PYRIDIN-3-YLAMINO)PYRIMIDIN-5-YL)-5-(3-(TRIFLUOROMETHYL)BENZAMIDO)BENZAMIDE

C24H16ClF3N6O2 (512.0975302)


   
   

BIS(3-ISOPROPYL-4-METHOXYPHENYL)IODONIUM TETRAFLUOROBORATE

BIS(3-ISOPROPYL-4-METHOXYPHENYL)IODONIUM TETRAFLUOROBORATE

C20H26BF4IO2 (512.1006644)


   

2-amino-6-(4-chlorophenyl)sulfanyl-4-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]pyridine-3,5-dicarbonitrile

2-amino-6-(4-chlorophenyl)sulfanyl-4-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]pyridine-3,5-dicarbonitrile

C22H17ClN6O5S (512.0669622)


   

[(2R,5R)-3-acetyloxy-5-[[5-cyano-6-(4-methylphenyl)sulfanylpyridine-3-carbonyl]carbamoylamino]oxolan-2-yl]methyl acetate

[(2R,5R)-3-acetyloxy-5-[[5-cyano-6-(4-methylphenyl)sulfanylpyridine-3-carbonyl]carbamoylamino]oxolan-2-yl]methyl acetate

C24H24N4O7S (512.1365634)


   

Trovafloxacin Mesylate

Trovafloxacin Mesylate

C21H19F3N4O6S (512.0977350000001)


A methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors

   

1,1,2,2-tetrakis(4-nitrophenyl)ethene

1,1,2,2-tetrakis(4-nitrophenyl)ethene

C26H16N4O8 (512.0968096)


   

Uranium tricarbide

Uranium tricarbide

U2C3 (512.101572)


   

3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate

3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate

C14H11F15O3 (512.0468635999999)


   
   

5-Chloro-4-((1-(5-chloro-2-pyrimidinyl)-4-piperidinyl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)-2(1H)-pyridinone

5-Chloro-4-((1-(5-chloro-2-pyrimidinyl)-4-piperidinyl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)-2(1H)-pyridinone

C21H19Cl2FN4O4S (512.0488046)


   

C.I. Acid Red 73, disodium salt

C.I. Acid Red 73, disodium salt

C22H16N4O7S2 (512.0460386)


   

Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester

Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester

C25H30Cl2O7 (512.136849)


   

dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-hexopyranose

dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-hexopyranose

C16H22N2O13P2-2 (512.0597102)


   

5-O-{[(1S)-1-carboxylatoethoxy]phosphinato}-1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol

5-O-{[(1S)-1-carboxylatoethoxy]phosphinato}-1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol

C19H19N3O12P-3 (512.0706324)


   

(E)-7-[3-[(E)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

(E)-7-[3-[(E)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

C23H29IO5 (512.1059654)


   

2-[(2-Hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfophenyl)diazenyl]benzene-1-sulfonic acid

2-[(2-Hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfophenyl)diazenyl]benzene-1-sulfonic acid

C22H16N4O7S2 (512.0460386)


   

N-[4-[[3-(4-sulfamoylanilino)-2-quinoxalinyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(4-sulfamoylanilino)-2-quinoxalinyl]sulfamoyl]phenyl]acetamide

C22H20N6O5S2 (512.093655)


   

N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

C23H24N6O4S2 (512.1300384)


   

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

C23H20N4O4S3 (512.064664)


   

ustilaginoidin A dianion

ustilaginoidin A dianion

C28H16O10-2 (512.0743436)


   

(4-{(E)-[5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid

(4-{(E)-[5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid

C25H21ClN2O6S (512.0808796)


   

ustilaginoidin A(2-)

ustilaginoidin A(2-)

C28H16O10 (512.0743436)


A phenolate anion that is the conjugate base of ustilaginoidin A, obtained by deprotonation of the two hydroxy groups at positions 5 and 5. It is the major microspecies at pH 7.3.

   

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

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

C16H22N2O13P2 (512.0597102)


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose; major species at pH 7.3.

   
   

GSK-25

GSK-25

C24H16Cl2F2N6O (512.073065)


GSK-25 is a potent, selective and orally bioavailable ROCK1 inhibitor (IC50=7 nM). GSK-25 maintains good selectivity against a panel of 31 kinases (>100 fold), as well as RSK1 and p70S6K (RSK1: IC50=398 nM, p70S6K: IC50=1 μM). GSK-25 inhibits P450 profile (IC50s of 2.5, 5.2, 2.5 μM for CYP2C9, CYP2D6, CYP3A4, respectively)[1].