Exact Mass: 420.02549380000005

Exact Mass Matches: 420.02549380000005

Found 94 metabolites which its exact mass value is equals to given mass value 420.02549380000005, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

(2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λ⁶-sulfanylium

(2,6-Dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-lambda-sulfanylium

C18H12O10S (420.0151172)


(2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λ⁶-sulfanylium is classified as a member of the 3-hydroxyflavonoids. 3-hydroxyflavonoids are flavonoids that bear one hydroxyl group at the C-3 position of the flavonoid skeleton (2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λ⁶-sulfanylium is considered to be a practically insoluble (in water) and a moderately acidic compound (2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λ⁶-sulfanylium can be found in humans.

   

Urolithin C 3-glucuronide

(2S,3S,4S,5R,6S)-6-({8,9-Dihydroxy-6-oxo-6H-benzo[C]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C19H16O11 (420.0692586)


Urolithin C 3-glucuronide belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. BioTransformer predicts that urolithin C 3-glucuronide is a product of urolithin C metabolism via an aromatic-OH-glucuronidation reaction catalyzed by the UDP-glucuronosyltransferase 1-1 (P22309) enzyme (PMID: 30612223).

   

1H-Perfluorooctane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane

C8HF17 (419.98067899999995)


   

Tiflamizole

4,5-Bis(4-fluorophenyl)-2-(1,1,2,2-tetrafluoroethanesulphonyl)-1H-imidazole

C17H10F6N2O2S (420.0367152)


   

Vismodegib

2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-methanesulfonylbenzamide

C19H14Cl2N2O3S (420.0102154)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XJ - Hedgehog pathway inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C188731 - Hedgehog Pathway Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor

   

4-methylthiobutyl glucosinolate

[5-(Methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}pentylidene]amino sulphuric acid

C12H22NO9S3 (420.0456662)


4-methylthiobutyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methylthiobutyl glucosinolate can be found in a number of food items such as arrowroot, ohelo berry, winged bean, and buffalo currant, which makes 4-methylthiobutyl glucosinolate a potential biomarker for the consumption of these food products.

   
   
   
   

bromotopsentin

bromotopsentin

C20H13BrN4O2 (420.0221818)


An aromatic ketone that is imidazole that is substituted at positions 2 and 5 by (6-hydroxy-1H-indol-3-yl)carbonyl and 6-bromo-1H-indol-3-yl groups respectively. Isolated from Mediterranean shallow-water sponges Topsentia genetrix, and from Caribbean deep-sea sponges of the Halichondriidae family, it has antitumour and antiviral properties. Toxic to fish.

   
   
   
   
   

Vismodegib

vismodegib(GDC-0449)

C19H14Cl2N2O3S (420.0102154)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XJ - Hedgehog pathway inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C188731 - Hedgehog Pathway Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor

   
   

2-(4-(8-BROMO-3-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)PHENYL)-2-METHYLPROPANENITRILE

2-(4-(8-BROMO-3-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)PHENYL)-2-METHYLPROPANENITRILE

C21H17BrN4O (420.0585652)


   

3-[2-(Perfluorohexyl)ethoxy]-1,2-epoxypropane

3-[2-(Perfluorohexyl)ethoxy]-1,2-epoxypropane

C11H9F13O2 (420.03949299999994)


   

4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid

4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid

C18H13ClN2O6S (420.01828280000007)


   
   

Benzeneacetic acid, a-(2,4-dinitrophenyl)-2,4-dinitro-,ethyl ester

Benzeneacetic acid, a-(2,4-dinitrophenyl)-2,4-dinitro-,ethyl ester

C16H12N4O10 (420.05534120000004)


   

1H-PERFLUORO-2,4,4-TRIMETHYLPENTANE 96

1H-PERFLUORO-2,4,4-TRIMETHYLPENTANE 96

C8HF17 (419.98067899999995)


   
   

1,4-Bis(bromomethyl)-2-methoxy-5-(2-ethylhexyloxy)benzene

1,4-Bis(bromomethyl)-2-methoxy-5-(2-ethylhexyloxy)benzene

C17H26Br2O2 (420.0299416)


   

dl-acetylmethionine calcium salt

dl-acetylmethionine calcium salt

C14H24CaN2O6S2 (420.0701634)


   

7-Benzenesulfonyl-5-bromo-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

7-Benzenesulfonyl-5-bromo-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

C17H17BrN4O2S (420.0255522)


   

Tiflamizole

Tiflamizole

C17H10F6N2O2S (420.0367152)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl- pyrazole-4-carboxylic acid

3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl- pyrazole-4-carboxylic acid

C12H13ClN6O7S (420.02549380000005)


   

5-(4-TERT-BUTYLBENZYLTHIO)-2-(3-CHLOROBENZYLTHIO)-1,3,4-THIADIAZOLE

5-(4-TERT-BUTYLBENZYLTHIO)-2-(3-CHLOROBENZYLTHIO)-1,3,4-THIADIAZOLE

C20H21ClN2S3 (420.05553360000005)


   

1,4-bis(bromomethyl)-2-methoxy-5-octoxybenzene

1,4-bis(bromomethyl)-2-methoxy-5-octoxybenzene

C17H26Br2O2 (420.0299416)


   
   
   

CHLORO(CYCLOPENTADIENYL)(TRIPHENYLPHOSPHINE)NICKEL(II)

CHLORO(CYCLOPENTADIENYL)(TRIPHENYLPHOSPHINE)NICKEL(II)

C23H20ClNiP (420.03445500000004)


   

3,3-Methylenebis(1-tert-butyl-3-imidazolium Bromide)

3,3-Methylenebis(1-tert-butyl-3-imidazolium Bromide)

C15H26Br2N4 (420.0524076)


   

4-chloro-6-(6-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1,3,5-triazin-2-amine

4-chloro-6-(6-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1,3,5-triazin-2-amine

C15H7ClF6N6 (420.0324884)


   
   

Dipotassium 2,2-biquinoline-4,4-dicarboxylate

Dipotassium 2,2-biquinoline-4,4-dicarboxylate

C20H10K2N2O4 (419.99147000000005)


   

Chlorocitalopram, Hydrobromide

Chlorocitalopram, Hydrobromide

C20H22BrClN2O (420.0603932)


   

5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethylbenzo[b]thiophene-3(2H)-one

5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethylbenzo[b]thiophene-3(2H)-one

C20H14Cl2O2S2 (419.9812244)


   

Astatine

Astatine

At2 (420)


   

N-(1-benzylpiperidin-4-yl)-4-iodobenzamide

N-(1-benzylpiperidin-4-yl)-4-iodobenzamide

C19H21IN2O (420.0698566)


   

5-(4-morpholinylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]-2-furancarboxamide

5-(4-morpholinylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]-2-furancarboxamide

C16H15F3N2O6S (420.06028860000004)


   

alpha,alpha-Trehalose 6-phosphate(2-)

alpha,alpha-Trehalose 6-phosphate(2-)

C12H21O14P-2 (420.0668896)


D004791 - Enzyme Inhibitors

   

6-O-phosphonato-beta-D-fructofuranosyl alpha-D-glucopyranoside

6-O-phosphonato-beta-D-fructofuranosyl alpha-D-glucopyranoside

C12H21O14P-2 (420.0668896)


   
   
   

beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate(2-)

beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate(2-)

C12H21O14P-2 (420.0668896)


   
   

alpha-Maltose 6-phosphate(2-)

alpha-Maltose 6-phosphate(2-)

C12H21O14P-2 (420.0668896)


   

6-phosphonato-beta-D-glucosyl-(1->4)-D-glucose(2-)

6-phosphonato-beta-D-glucosyl-(1->4)-D-glucose(2-)

C12H21O14P-2 (420.0668896)


   
   

(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate

(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate

C12H21O14P-2 (420.0668896)


   
   

alpha-Lactose 6-phosphate

alpha-Lactose 6-phosphate

C12H21O14P-2 (420.0668896)


   

Phosphoinositol-alpha-mannoside

Phosphoinositol-alpha-mannoside

C12H21O14P-2 (420.0668896)


   
   

beta-D-cellobiose 6-phosphate

beta-D-cellobiose 6-phosphate

C12H21O14P-2 (420.0668896)


   

alpha-D-glucopyranosyl-(1->3)-D-fructose 6-phosphate

alpha-D-glucopyranosyl-(1->3)-D-fructose 6-phosphate

C12H21O14P-2 (420.0668896)


   

alpha-D-cellobiose 6-phosphate

alpha-D-cellobiose 6-phosphate

C12H21O14P-2 (420.0668896)


   
   
   

alpha,beta-Trehalose 6-phosphate

alpha,beta-Trehalose 6-phosphate

C12H21O14P-2 (420.0668896)


   

(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C12H20O14S (420.05737400000004)


   

(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C12H20O14S (420.05737400000004)


   

Urolithin C 3-glucuronide

Urolithin C 3-glucuronide

C19H16O11 (420.0692586)


   

[(Z)-[5-methylsulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]amino] sulfate

[(Z)-[5-methylsulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]amino] sulfate

C12H22NO9S3- (420.0456662)


   

4-Methylthiobutylglucosinolate

4-Methylthiobutylglucosinolate

C12H22NO9S3- (420.0456662)


   

4-[[5-Chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide

4-[[5-Chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide

C20H18ClFN2O3S (420.071064)


   

4-bromo-N-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)benzamide

4-bromo-N-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)benzamide

C21H13BrN2O3 (420.01094880000005)


   

sucrose 6(G)-phosphate(2-)

sucrose 6(G)-phosphate(2-)

C12H21O14P-2 (420.0668896)


   

(2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester

(2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester

C19H17FN2O4S2 (420.06137340000004)


   

4-(4-morpholinylsulfonyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-(4-morpholinylsulfonyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C17H16N4O5S2 (420.0562086)


   

2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide

2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide

C21H16N4O2S2 (420.07146359999996)


   

Man-alpha-1->6-Ins-1-phosphate(2-)

Man-alpha-1->6-Ins-1-phosphate(2-)

C12H21O14P-2 (420.0668896)


   

2,5-anhydro-3-O-(2-O-sulfo-alpha-L-idopyranuronosyl)-D-glucitol

2,5-anhydro-3-O-(2-O-sulfo-alpha-L-idopyranuronosyl)-D-glucitol

C12H20O14S (420.05737400000004)


   

beta-D-GlcpA3S-(1->3)-2,5-anhydro-D-Glc-OH

beta-D-GlcpA3S-(1->3)-2,5-anhydro-D-Glc-OH

C12H20O14S (420.05737400000004)


   

alpha-L-IdopA-(1->3)-2,5-anhydro-D-Glc-OH4S

alpha-L-IdopA-(1->3)-2,5-anhydro-D-Glc-OH4S

C12H20O14S (420.05737400000004)


   

2-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-1,3,6,7-tetrahydroxyxanthen-9-one

2-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-1,3,6,7-tetrahydroxyxanthen-9-one

C19H16O11 (420.0692586)


   

alpha,alpha-Trehalose 6-phosphate(2-)

alpha,alpha-Trehalose 6-phosphate(2-)

C12H21O14P (420.0668896)


Dianion of alpha,alpha-trehalose 6-phosphate.

   

sucrose 6(F)-phosphate(2-)

sucrose 6(F)-phosphate(2-)

C12H21O14P (420.0668896)


Dianion of sucrose 6(F)-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.

   

Lactose 6-phosphate(2-)

Lactose 6-phosphate(2-)

C12H21O14P (420.0668896)


An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of lactose 6-phosphate; major species at pH 7.3.

   

alpha-Maltose 6-phosphate(2-)

alpha-Maltose 6-phosphate(2-)

C12H21O14P (420.0668896)


Dianion of maltose 6-phosphate arising from deprotonation of both OH groups of the phosphate.

   

(2,6-Dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-lambda-sulfanylium

(2,6-Dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-lambda-sulfanylium

C18H12O10S (420.0151172)


   

Glucoerucin(1-)

Glucoerucin(1-)

C12H22NO9S3 (420.0456662)


A thia-alkylglucosinolate that has a 4-(methylsulfanyl)butyl side chain attached to the sulfonated oxime group.

   

sucrose 6(G)-phosphate(2-)

sucrose 6(G)-phosphate(2-)

C12H21O14P (420.0668896)


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of sucrose 6(G)-phosphate; major species at pH 7.3.

   

mannose-1D-myo-inositol 1-phosphate(2-)

mannose-1D-myo-inositol 1-phosphate(2-)

C12H21O14P (420.0668896)


A phosphate monoester dianion obtained by deprotonation of the phosphate OH groups of mannose-1D-myo-inositol 1-phosphate; major species at pH 7.3.

   

3-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyloxy)-5-formyl-4,6-dihydroxy-2-methylbenzoic acid

3-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyloxy)-5-formyl-4,6-dihydroxy-2-methylbenzoic acid

C19H16O11 (420.0692586)