Exact Mass: 422.0549

Exact Mass Matches: 422.0549

Found 41 metabolites which its exact mass value is equals to given mass value 422.0549, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Carbenicillin sodium

Carbenicillin disodium

C17H16N2O6S. 2Na (422.0524)


Same as: D02190

   

1-O-Caffeoyl-(b-D-glucose 6-O-sulfate)

[(6-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulphonic acid

C15H18O12S (422.0519)


1-O-Caffeoyl-(b-D-glucose 6-O-sulfate) is found in green vegetables. 1-O-Caffeoyl-(b-D-glucose 6-O-sulfate) is isolated from Pteridium aquilinum (bracken fern).

   

2-(2-Chloro-4-fluorobenzyl)-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole

2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole

C21H12ClF5N2 (422.0609)


LXR-623 is a brain-penetrant partial LXRα and full LXRβ agonist, with IC50s of 24 nM and 179 nM, respectively.

   

Aurintricarboxylic acid

5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid

C22H14O9 (422.0638)


Aurintricarboxylic acid is a nanomolar-potency, allosteric antagonist with selectivity towards αβ-methylene-ATP-sensitive P2X1Rs and P2X3Rs, with IC50s of 8.6 nM and 72.9 nM for rP2X1R and rP2X3R, respectively[1]. Aurintricarboxylic acid is a potent anti-influenza agent by directly inhibiting the neuraminidase[2]. Aurintricarboxylic acid is an inhibitor of topoisomerase II and apoptosis[3]. Aurintricarboxylic acid is a selective inhibitor of the TWEAK-Fn14 signaling pathway[4]. Aurintricarboxylic acid also acts as a cystathionine-lyase (CSE) inhibitor with an IC50 of 0.6 μM[5]. Aurintricarboxylic acid is a modifier of miRNAs that regulate miRNA function, with an IC50 of 0.47 μM[6].

   
   

Antibiotic C 19393S2

Antibiotic C 19393S2

C14H18N2O9S2 (422.0454)


   
   
   

1,2-Diacetoxy-7,8-dihydro-4-hydroxy-3-(4-hydroxyphenyl)dibenzofuran-7,8-dion

1,2-Diacetoxy-7,8-dihydro-4-hydroxy-3-(4-hydroxyphenyl)dibenzofuran-7,8-dion

C22H14O9 (422.0638)


   

preussomerin J

preussomerin J

C22H14O9 (422.0638)


   

Anthracophyllin

Anthracophyllin

C22H14O9 (422.0638)


   

Asp-Phe4Cl-OH

(S)-2-(3-(carboxymethoxy)-4-nitrobenzamido)-3-(4-chlorophenyl)propanoic acid

C18H15ClN2O8 (422.0517)


   

Phe4Cl-Asp-OH

(S)-2-(3-((4-chlorobenzyl)oxy)-4-nitrobenzamido)pentanedioic acid

C18H15ClN2O8 (422.0517)


   

Carbenicillin sodium

Carbenicillin disodium

C17H16N2Na2O6S (422.0524)


   

1-O-Caffeoyl-(b-D-glucose 6-O-sulfate)

[(6-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid

C15H18O12S (422.0519)


   

(+)-5,6-O-CYCLOHEXYLIDENE-L-ASCORBICACID

(+)-5,6-O-CYCLOHEXYLIDENE-L-ASCORBICACID

C18H12F6O5 (422.0589)


   

2-(3-(5-BROMOPYRIMIDIN-2-YL)BENZYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)PYRIDAZIN-3(2H)-ONE

2-(3-(5-BROMOPYRIMIDIN-2-YL)BENZYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)PYRIDAZIN-3(2H)-ONE

C19H15BrN6O (422.0491)


   

3-iodo-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide

3-iodo-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide

C18H19IN2O2 (422.0491)


   

4-Nitrophenyl2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfatepotassiumsalt

4-Nitrophenyl2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfatepotassiumsalt

C14H18N2O11S (422.0631)


   

7-(2,5-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2,3:4,5]thieno[2,3-b]pyridin-2(1H)-one

7-(2,5-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2,3:4,5]thieno[2,3-b]pyridin-2(1H)-one

C19H13F3N2O4S (422.0548)


   

N-[4-(Aminosulfonyl)benzyl]-5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxamide

N-[4-(Aminosulfonyl)benzyl]-5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxamide

C17H15ClN4O5S (422.0452)


   

Carbenicillin disodium

Carbenicillin disodium

C17H16N2Na2O6S (422.0524)


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

   

Cephapirin(1-)

Cephapirin(1-)

C17H16N3O6S2- (422.048)


The anion of cephapirin obtained by removal of a proton form the carboxylic acid group.

   

[(E)-[3-phenyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate

[(E)-[3-phenyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] sulfate

C15H20NO9S2- (422.0579)


   
   

2-Phenylethylglucosinolate

2-Phenylethylglucosinolate

C15H20NO9S2- (422.0579)


   

5-Chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester

5-Chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester

C18H16Cl2N4O4 (422.0549)


   

Aurintricarboxylic acid

Aurintricarboxylic acid

C22H14O9 (422.0638)


Aurintricarboxylic acid is a nanomolar-potency, allosteric antagonist with selectivity towards αβ-methylene-ATP-sensitive P2X1Rs and P2X3Rs, with IC50s of 8.6 nM and 72.9 nM for rP2X1R and rP2X3R, respectively[1]. Aurintricarboxylic acid is a potent anti-influenza agent by directly inhibiting the neuraminidase[2]. Aurintricarboxylic acid is an inhibitor of topoisomerase II and apoptosis[3]. Aurintricarboxylic acid is a selective inhibitor of the TWEAK-Fn14 signaling pathway[4]. Aurintricarboxylic acid also acts as a cystathionine-lyase (CSE) inhibitor with an IC50 of 0.6 μM[5]. Aurintricarboxylic acid is a modifier of miRNAs that regulate miRNA function, with an IC50 of 0.47 μM[6].

   

gluconasturtiin(1-)

gluconasturtiin(1-)

C15H20NO9S2 (422.0579)


A aralkylglucosinolate that is the conjugate base of gluconasturtiin.

   

HIF-1 inhibitor-4

HIF-1 inhibitor-4

C18H19IN2O2 (422.0491)


HIF-1 inhibitor-4 is a HIF-1 inhibitor (IC50: 560 nM). HIF-1 inhibitor-4 reduces the HIF-1α protein level without affecting its mRNA level[1].

   

(1r,4s,5r,6r,9r,11r,14s,15r,16r,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

(1r,4s,5r,6r,9r,11r,14s,15r,16r,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)


   

(5r,6r)-3-[(r)-(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-7-oxo-6-[2-(sulfooxy)propan-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5r,6r)-3-[(r)-(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-7-oxo-6-[2-(sulfooxy)propan-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C14H18N2O9S2 (422.0454)


   

(1s,4r,5s,6s,9s,11s,14r,15s,16s,19s)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

(1s,4r,5s,6s,9s,11s,14r,15s,16s,19s)-5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)


   

1-o-p-coumaroylglucose; beta-d-form,3'-hydroxy,6-o-sulfate

NA

C15H18O12S (422.0519)


{"Ingredient_id": "HBIN002929","Ingredient_name": "1-o-p-coumaroylglucose; beta-d-form,3'-hydroxy,6-o-sulfate","Alias": "NA","Ingredient_formula": "C15H18O12S","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9123","PubChem_id": "NA","DrugBank_id": "NA"}

   

5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

5,15-dihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁶,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)


   

5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)


   

(5r,6r)-3-[(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-7-oxo-6-[2-(sulfooxy)propan-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5r,6r)-3-[(1e)-2-[(1-hydroxyethylidene)amino]ethenesulfinyl]-7-oxo-6-[2-(sulfooxy)propan-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C14H18N2O9S2 (422.0454)


   

(1r,4s,5s,9s,11r,14s,15s,18s,19s)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,8,12-trione

(1r,4s,5s,9s,11r,14s,15s,18s,19s)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,8,12-trione

C18H18N2O6S2 (422.0606)


   

5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,8,12-trione

5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,16-diene-2,8,12-trione

C18H18N2O6S2 (422.0606)


   

17-bromo-5,10,10-trimethyl-8,12-dioxo-5,10,20-triazapentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,3,6,9(21),13,15,17,19-octaen-10-ium

17-bromo-5,10,10-trimethyl-8,12-dioxo-5,10,20-triazapentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,3,6,9(21),13,15,17,19-octaen-10-ium

[C21H17BrN3O2]+ (422.0504)


   

(1r,4s,5s,9s,11r,14s,15s,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

(1r,4s,5s,9s,11r,14s,15s,19r)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

C18H18N2O6S2 (422.0606)