Exact Mass: 402.028

Exact Mass Matches: 402.028

Found 125 metabolites which its exact mass value is equals to given mass value 402.028, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP

{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid

C10H16N2O11P2 (402.0229)


Is an intermediate in the Thymidylate kinase (EC 2.7.4.9; ATP:dTMP phosphotransferase) catalyzes the phosphorylation of dTMP (to form dTDP) in the dTTP synthesis pathway for DNA synthesis. (OMIM 188345 ) [HMDB]. dTDP is found in many foods, some of which are bog bilberry, poppy, garden tomato, and chanterelle. Is an intermediate in the Thymidylate kinase (EC 2.7.4.9; ATP:dTMP phosphotransferase) catalyzes the phosphorylation of dTMP (to form dTDP) in the dTTP synthesis pathway for DNA synthesis. (OMIM 188345 ) Acquisition and generation of the data is financially supported in part by CREST/JST. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents

   
   

Cytidine diphosphoramidate

Cytidine diphosphoramidate

C9H16N4O10P2 (402.0342)


   

Shoyuflavone B

2-hydroxy-3-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}butanedioic acid

C19H14O10 (402.0587)


Shoyuflavone B is found in herbs and spices. Shoyuflavone B is isolated from fermented soy sauce. Shoyuflavone B is produced by Aspergillus oryza Isolated from fermented soy sauce. Production by Aspergillus oryzae. Shoyuflavone B is found in herbs and spices.

   

N-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide

N-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide

C17H14Cl2F2N2O3 (402.0349)


   

2,7-Dichlorofluorescin

2-(2,7-dichloro-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid

C20H12Cl2O5 (402.0062)


   

dichlorodihydrofluorescein

1,2-dichloro-3,6-dihydroxy-1,2-dihydro-3H-spiro[2-benzofuran-1,9-xanthene]-3-one

C20H12Cl2O5 (402.0062)


   

Dichlorofluorescin

2-(1,2-dichloro-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid

C20H12Cl2O5 (402.0062)


D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins

   

Roflumilast

3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide

C17H14Cl2F2N2O3 (402.0349)


R - Respiratory system > R03 - Drugs for obstructive airway diseases C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor

   

7,7a-Dichloro-3',6'-dihydroxyspiro[7H-2-benzofuran-3,9'-xanthene]-1-one

3a,4-dichloro-3,6-dihydroxy-3a,4-dihydro-3H-spiro[2-benzofuran-1,9-xanthene]-3-one

C20H12Cl2O5 (402.0062)


   

Psoberan

4-methoxy-7H-furo[3,2-g]chromen-7-one; 7H-furo[3,2-g]chromen-7-one

C23H14O7 (402.0739)


Psoberan can be found in fig, which makes psoberan a potential biomarker for the consumption of this food product. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins

   

4-O-Methyldechlorodiploicin

4-O-Methyldechlorodiploicin

C17H13Cl3O5 (401.9829)


   
   
   
   
   
   

4,6-Diformyl-8-hydroxy-9-hydroxymethyl-3-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-8-hydroxy-9-hydroxymethyl-3-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

4,6-Diformyl-8-hydroxy-9-hydroxymethyl-3-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-8-hydroxy-9-hydroxymethyl-3-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

C19H14O10 (402.0587)


   

2,3,6-tricarboxy-6,7-dihydroxy-1(3)-2-pyranonyl-1,2-dihydronaphthalene-10-methyl ester

2,3,6-tricarboxy-6,7-dihydroxy-1(3)-2-pyranonyl-1,2-dihydronaphthalene-10-methyl ester

C19H14O10 (402.0587)


   

Constictic acid

Constictic acid

C19H14O10 (402.0587)


   

(7E,13E,15Z)-14,16-dibromohexadeca-7,13,15-trien-5-ynoic acid|14,16-Dibromo-7,13,15-hexadecatrien-5-ynoic acid-(7E,15Z)-form

(7E,13E,15Z)-14,16-dibromohexadeca-7,13,15-trien-5-ynoic acid|14,16-Dibromo-7,13,15-hexadecatrien-5-ynoic acid-(7E,15Z)-form

C16H20Br2O2 (401.983)


   

2,3,6-tricarboxy-6,7-dihydroxy-1(3)-2-pyranonyl-1,2-dihydronaphthalene-9-methyl ester

2,3,6-tricarboxy-6,7-dihydroxy-1(3)-2-pyranonyl-1,2-dihydronaphthalene-9-methyl ester

C19H14O10 (402.0587)


   

1-(alpha-Hydroxybenzyl)-3,7-dihydroxy-8-methoxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid 2,1-lactone

1-(alpha-Hydroxybenzyl)-3,7-dihydroxy-8-methoxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid 2,1-lactone

C23H14O7 (402.0739)


   

3-Dechloro-4-O-methyldiploicin

3-Dechloro-4-O-methyldiploicin

C17H13Cl3O5 (401.9829)


   
   

Peristictic acid

Peristictic acid

C19H14O10 (402.0587)


   

4,6-Diformyl-3,8-dihydroxy-9-methoxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-3,8-dihydroxy-9-methoxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

4,6-Diformyl-3,8-dihydroxy-9-methoxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-3,8-dihydroxy-9-methoxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid

C19H14O10 (402.0587)


   

3,4,4,5-tetrahydroxy-3-methoxypulvinic acid|retiboletic acid

3,4,4,5-tetrahydroxy-3-methoxypulvinic acid|retiboletic acid

C19H14O10 (402.0587)


   

erimopyrone 9-methyl ester

erimopyrone 9-methyl ester

C19H14O10 (402.0587)


   
   

3,4,5,5-O-Tetramethyl-3,4-O,O-methylidenecoruleoellagic acid d

3,4,5,5-O-Tetramethyl-3,4-O,O-methylidenecoruleoellagic acid d

C19H14O10 (402.0587)


   

1,3,6-tri-O-methylarthothelin

1,3,6-tri-O-methylarthothelin

C17H13Cl3O5 (401.9829)


   

Roflumilast

Roflumilast (Daxas)

C17H14Cl2F2N2O3 (402.0349)


R - Respiratory system > R03 - Drugs for obstructive airway diseases C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor

   

Thymidine-5-diphosphate sodium salt

Thymidine-5-diphosphate sodium salt

C10H16N2O11P2 (402.0229)


   
   
   

Hydroxylated discorhabdin V

Hydroxylated discorhabdin V

[C18H17BrN3O3]+ (402.0453)


   

1,3,6-tri-O-methylarthothelin

"1,3,6-tri-O-methylarthothelin"

C17H13Cl3O5 (401.9829)


   

Ticarcillin penicilloate

Ticarcillin penicilloate

C15H18N2O7S2 (402.0555)


   

Shoyuflavone B

2-hydroxy-3-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}butanedioic acid

C19H14O10 (402.0587)


   

14,16-dibromo-7E,13E,15Z-hexadecatrien-5-ynoic acid

14,16-dibromo-7E,13E,15Z-hexadecatrien-5-ynoic acid

C16H20Br2O2 (401.983)


   

Aspergillusether F

Aspergillusether F

C18H17O4Cl3 (402.0192)


   

(OCTAHYDRO-INDOLIZIN-8-YL)-METHANOL

(OCTAHYDRO-INDOLIZIN-8-YL)-METHANOL

C18H26Cl2Zr (402.0459)


   

ethylene di(thiotosylate)

ethylene di(thiotosylate)

C16H18O4S4 (402.0088)


   

2,4-Pentanedione - ruthenium (3:1)

2,4-Pentanedione - ruthenium (3:1)

C15H24O6Ru (402.0616)


   

1-TERT-BUTYL 3-METHYL 5-IODO-1H-INDAZOLE-1,3-DICARBOXYLATE

1-TERT-BUTYL 3-METHYL 5-IODO-1H-INDAZOLE-1,3-DICARBOXYLATE

C14H15IN2O4 (402.0077)


   

Bis(1-propyl-3-methylcyclopentadienyl)zirconium dichloride

Bis(1-propyl-3-methylcyclopentadienyl)zirconium dichloride

C18H26Cl2Zr (402.0459)


   
   

bis(tert-butylcyclopentadienyl)zirconium dichloride

bis(tert-butylcyclopentadienyl)zirconium dichloride

C18H26Cl2Zr (402.0459)


   

phenethicillin potassium

phenethicillin potassium

C17H19KN2O5S (402.0652)


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

   

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

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

C8H2F16 (401.9901)


   

1-(2-BROMOPHENYL)-5-ETHYL-3,4-DIPHENYL-1H-PYRAZOLE

1-(2-BROMOPHENYL)-5-ETHYL-3,4-DIPHENYL-1H-PYRAZOLE

C23H19BrN2 (402.0732)


   

1-(4-chlorophenyl)sulfanyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

1-(4-chlorophenyl)sulfanyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

C17H20ClO3PS2 (402.028)


   

disodium,5-[2-(1,4,6,9-tetraoxa-5-silanuidaspiro[4.4]nonan-5-yloxy)ethoxy]-1,4,6,9-tetraoxa-5-silanuidaspiro[4.4]nonane

disodium,5-[2-(1,4,6,9-tetraoxa-5-silanuidaspiro[4.4]nonan-5-yloxy)ethoxy]-1,4,6,9-tetraoxa-5-silanuidaspiro[4.4]nonane

C10H20Na2O10Si2 (402.039)


   
   

1-O-tert-butyl 5-O-methyl 3-iodoindazole-1,5-dicarboxylate

1-O-tert-butyl 5-O-methyl 3-iodoindazole-1,5-dicarboxylate

C14H15IN2O4 (402.0077)


   

S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate

S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate

C14H8F6O3S2 (401.9819)


   

(2S,4R)-2-METHYL 1-(4-NITROBENZYL) 4-((METHYLSULFONYL)OXY)PYRROLIDINE-1,2-DICARBOXYLATE

(2S,4R)-2-METHYL 1-(4-NITROBENZYL) 4-((METHYLSULFONYL)OXY)PYRROLIDINE-1,2-DICARBOXYLATE

C15H18N2O9S (402.0733)


   

methyl 8-iodo-4,5,7-trimethoxynaphthalene-2-carboxylate

methyl 8-iodo-4,5,7-trimethoxynaphthalene-2-carboxylate

C15H15IO5 (401.9964)


   

1-ETHYL-3-METHYLPYRIDINIUM BIS(TRIFLUOROMETHANESULFONYL)IMIDE

1-ETHYL-3-METHYLPYRIDINIUM BIS(TRIFLUOROMETHANESULFONYL)IMIDE

C10H12F6N2O4S2 (402.0143)


   

2,3-BIS(3-CHLOROPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE

2,3-BIS(3-CHLOROPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE

C19H13Cl3N4 (402.0206)


   

2,3-BIS(4-CHLOROPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE

2,3-BIS(4-CHLOROPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE

C19H13Cl3N4 (402.0206)


   

2,5-Bis(hexyl)-1,4-dibromobenzene

2,5-Bis(hexyl)-1,4-dibromobenzene

C18H28Br2 (402.0558)


   
   

Methanesulfonic acid, 1,1,1-trifluoro-, 2-chloro-3-[4-(2-methoxyethyl)-1-piperazinyl]phenyl ester

Methanesulfonic acid, 1,1,1-trifluoro-, 2-chloro-3-[4-(2-methoxyethyl)-1-piperazinyl]phenyl ester

C14H18ClF3N2O4S (402.0628)


   

Bis(n-butylcyclopentadienyl)zirconium dichloride

Bis(n-butylcyclopentadienyl)zirconium dichloride

C18H26Cl2Zr (402.0459)


   

Aspirin Aluminum

Aspirin Aluminum

C18H15AlO9 (402.0531)


   

1 1-bis(diphenylphosphino)ferrocene

1 1-bis(diphenylphosphino)ferrocene

C22H20FeP2 (402.039)


   

4-(Cyclopropylmethoxy)-3-(difluoromethoxy) Roflumilast

4-(Cyclopropylmethoxy)-3-(difluoromethoxy) Roflumilast

C17H14Cl2F2N2O3 (402.0349)


   

1,2,3,5-tetramethylcyclopenta-1,3-diene,zirconium(4+),dichloride

1,2,3,5-tetramethylcyclopenta-1,3-diene,zirconium(4+),dichloride

C18H26Cl2Zr (402.0459)


   

Hydroquinone diphthalic anhydride

Hydroquinone diphthalic anhydride

C22H10O8 (402.0376)


   

(S)-5-(((4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)sulfonyl)methyl)-5-methylimidazolidine-2,4-dione

(S)-5-(((4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)sulfonyl)methyl)-5-methylimidazolidine-2,4-dione

C15H19ClN4O5S (402.0765)


   

Thymidine-3,5-diphosphate

Thymidine-3,5-diphosphate

C10H16N2O11P2 (402.0229)


   

Parconazole hydrochloride

Parconazole hydrochloride

C17H17Cl3N2O3 (402.0305)


C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

2,7-Dichlorodihydrofluorescein

2,7-Dichlorodihydrofluorescein

C20H12Cl2O5 (402.0062)


D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins

   

4-[(3-Chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide

4-[(3-Chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide

C16H11ClN6O3S (402.0302)


   

5-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-2H-pyrrolo[3,4-d]isoxazole-3,3-dicarboxylic acid dimethyl ester

5-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-2H-pyrrolo[3,4-d]isoxazole-3,3-dicarboxylic acid dimethyl ester

C15H12Cl2N2O7 (402.0022)


   

N-((E)-{4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl}methylidene)isonicotinohydrazide

N-((E)-{4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl}methylidene)isonicotinohydrazide

C18H15ClN4O3S (402.0553)


   

2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid

2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid

C18H14N2O7S (402.0522)


   
   

(2s)-N-[(3s)-1-(2-Amino-2-Oxoethyl)-2-Oxo-1,2,3,4-Tetrahydroquinolin-3-Yl]-2-Chloro-2h-Thieno[2,3-B]pyrrole-5-Carboxamide

(2s)-N-[(3s)-1-(2-Amino-2-Oxoethyl)-2-Oxo-1,2,3,4-Tetrahydroquinolin-3-Yl]-2-Chloro-2h-Thieno[2,3-B]pyrrole-5-Carboxamide

C18H15ClN4O3S (402.0553)


   

2,5-Bis(2-chloro-4-guanidinophenyl)furan

2,5-Bis(2-chloro-4-guanidinophenyl)furan

C18H16Cl2N6O (402.0763)


   

acs.jmedchem.1c00409_ST.421

acs.jmedchem.1c00409_ST.421

C18H16Cl2N6O (402.0763)


   

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

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

C20H17ClNO6- (402.0744)


   

Uridine 5-diphosphate sodium

Uridine 5-diphosphate sodium

C9H12N2O12P2-2 (401.9865)


   

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

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

C12H18O13S (402.0468)


   

4-Fluorobenzoic acid 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

4-Fluorobenzoic acid 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C19H12ClFN2O3S (402.0241)


   

4-{[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-fluorobenzoate

4-{[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-fluorobenzoate

C19H12ClFN2O3S (402.0241)


   

1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamide

1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamide

C18H15ClN4OS2 (402.0376)


   

4-[(1-Methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine

4-[(1-Methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine

C20H14N6S2 (402.0721)


   

(17S)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde

(17S)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde

C19H14O10 (402.0587)


   

2-Hydroxy-4-pentenylglucosinolate

2-Hydroxy-4-pentenylglucosinolate

C12H20NO10S2- (402.0529)


   

[4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulate

[4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulate

C15H14O11S (402.0257)


   

4-Acetyl-1-(5-bromopyridin-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione

4-Acetyl-1-(5-bromopyridin-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione

C18H15BrN2O4 (402.0215)


   

3,7-dihydroxy-2-(3-sulooxyphenyl)-3,4-dihydro-2H-chromene-5-sulinic acid

3,7-dihydroxy-2-(3-sulooxyphenyl)-3,4-dihydro-2H-chromene-5-sulinic acid

C15H14O9S2 (402.0079)


   

[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl] hydrogen sulate

[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl] hydrogen sulate

C15H14O11S (402.0257)


   

18-Bromo-4,10-diaza-15-azoniahexacyclo[14.3.1.15,9.01,6.07,15.08,12]henicosa-5,7(15),8(12),9(21),10,18-hexaene-17,20,21-triol

18-Bromo-4,10-diaza-15-azoniahexacyclo[14.3.1.15,9.01,6.07,15.08,12]henicosa-5,7(15),8(12),9(21),10,18-hexaene-17,20,21-triol

C18H17BrN3O3+ (402.0453)


   

Thymidine-5-diphosphate

Thymidine-5-diphosphate

C10H16N2O11P2 (402.0229)


A thymidine phosphate having a diphosphate group at the 5-position. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents

   

ochratoxin A(1-)

ochratoxin A(1-)

C20H17ClNO6 (402.0744)


A monocarboxylic acid anion that is conjugate base of ochratoxin A, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.

   

gluconapoleiferin(1-)

gluconapoleiferin(1-)

C12H20NO10S2 (402.0529)


A glucosinolate that is glucobrassicanapin which has been hydroxylated at the 3-position of the hex-5-enimidoyl chain.

   

GKT136901 (hydrochloride)

GKT136901 (hydrochloride)

C19H16Cl2N4O2 (402.065)


GKT136901 hydrochloride is a potent, selective and orally active inhibitor of NADPH oxidase (NOX1/4), with Kis of 160 and 165 nM, respectively. GKT136901 hydrochloride is also a selective and direct scavenger of peroxynitrite. GKT136901 hydrochloride can be used for the research of diabetic nephropathy, stroke, and neurodegeneration. GKT136901 hydrochloride also has anti-inflammatory activity[1][2][3].

   

PEPA

PEPA

C16H16F2N2O4S2 (402.052)


PEPA is an allosteric modulator of AMPA receptors; binds to the GluA2o and GluA3o LBDs and can be utilized as an indicator of AMPA receptor heterogeneity. IC50 value: Target: AMPAR modulator in vitro: PEPA dose-dependently potentiated AMPA-induced increase of [Ca2+]i. In 90\% (72 out of 80) of the cells in which cyclothiazide acts, PEPA potentiated the increased [Ca2+]i induced by AMPA with pronounced cell-to-cell variation in rat hippocampal cultures [1]. PEPA bound to the binding domains of the GluA2 and GluA3 flop isoforms of AMPA receptors [2]. coapplication of AMPA with PEPA protected hippocampal CA1 neurons from brain ischemia-induced death. Coapplication of AMPA with PEPA could prevent downregulated expression of GluR2 subunit caused by ischemia and increase BDNF expression via Lyn-ERK1/2-CREB signaling [4]. in vivo: PEPA (3, 10, 30mg/kg body weight) or vehicle was intraperitoneally administered into stressed mice once before the first extinction session. The significant decrease of the freezing response in the extinction sessions was only seen in the 30mg/kg PEPA-administered stressed mice, compared with vehicle-administered stressed mice [3].

   

Pomaglumetad methionil (hydrochloride)

Pomaglumetad methionil (hydrochloride)

C12H19ClN2O7S2 (402.0322)


Pomaglumetad methionil hydrochloride (LY2140023 hydrochloride) is an orally active, methionine prodrug of the selective mGlu2/3 receptor agonist LY404039. Pomaglumetad methionil hydrochloride has the potential for schizophrenia research[1][2].

   

13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde

13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde

C19H14O10 (402.0587)


   

5,7,13-trichloro-6,14-dimethoxy-4,12-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

5,7,13-trichloro-6,14-dimethoxy-4,12-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

C17H13Cl3O5 (401.9829)


   

(7e,13z,15z)-14,16-dibromohexadeca-7,13,15-trien-5-ynoic acid

(7e,13z,15z)-14,16-dibromohexadeca-7,13,15-trien-5-ynoic acid

C16H20Br2O2 (401.983)


   

3,4-methylenedioxy-3',4'-o-dimethyl-5,5'-di-methoxyellagicacid

NA

C19H14O10 (402.0587)


{"Ingredient_id": "HBIN007496","Ingredient_name": "3,4-methylenedioxy-3',4'-o-dimethyl-5,5'-di-methoxyellagicacid","Alias": "NA","Ingredient_formula": "C19H14O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14358","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

5-[2-carboxy-6,7-dihydroxy-3-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid

5-[2-carboxy-6,7-dihydroxy-3-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid

C19H14O10 (402.0587)


   

(1r)-4,9-dihydroxy-10-methoxy-1-phenyl-1h-anthra[1,2-c]furan-3,6,11-trione

(1r)-4,9-dihydroxy-10-methoxy-1-phenyl-1h-anthra[1,2-c]furan-3,6,11-trione

C23H14O7 (402.0739)


   

deoxythymidine 5'-diphosphate

deoxythymidine 5'-diphosphate

C10H16N2O11P2 (402.0229)


   

13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carboxylic acid

13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carboxylic acid

C19H14O10 (402.0587)


   

2-bromo-5-[(3-bromo-2,2-dimethyl-6-methylidenecyclohexyl)methyl]benzene-1,4-diol

2-bromo-5-[(3-bromo-2,2-dimethyl-6-methylidenecyclohexyl)methyl]benzene-1,4-diol

C16H20Br2O2 (401.983)


   

5-[(1r,2r)-2-carboxy-6,7-dihydroxy-3-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid

5-[(1r,2r)-2-carboxy-6,7-dihydroxy-3-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid

C19H14O10 (402.0587)


   

(7s,8as,10as)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-ol

(7s,8as,10as)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-ol

C16H20Br2O2 (401.983)


   

(17s)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde

(17s)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde

C19H14O10 (402.0587)


   

7,12,13,14-tetramethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1,6,8(18),11(19),12,14-hexaene-9,16-dione

7,12,13,14-tetramethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1,6,8(18),11(19),12,14-hexaene-9,16-dione

C19H14O10 (402.0587)


   

(7s,8as,10ar)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-ol

(7s,8as,10ar)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-ol

C16H20Br2O2 (401.983)


   

5-[3-carboxy-6,7-dihydroxy-2-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid

5-[3-carboxy-6,7-dihydroxy-2-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid

C19H14O10 (402.0587)


   

2-bromo-5-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}benzene-1,4-diol

2-bromo-5-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}benzene-1,4-diol

C16H20Br2O2 (401.983)


   

(17s)-13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carboxylic acid

(17s)-13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carboxylic acid

C19H14O10 (402.0587)


   

2-bromo-5-{[(1r,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}benzene-1,4-diol

2-bromo-5-{[(1r,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}benzene-1,4-diol

C16H20Br2O2 (401.983)


   

(7e,13e,15z)-14,16-dibromohexadeca-7,13,15-trien-5-ynoic acid

(7e,13e,15z)-14,16-dibromohexadeca-7,13,15-trien-5-ynoic acid

C16H20Br2O2 (401.983)


   

14,16-dibromohexadeca-7,13,15-trien-5-ynoic acid

14,16-dibromohexadeca-7,13,15-trien-5-ynoic acid

C16H20Br2O2 (401.983)


   

5-[(1r,2r)-3-carboxy-6,7-dihydroxy-2-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid

5-[(1r,2r)-3-carboxy-6,7-dihydroxy-2-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid

C19H14O10 (402.0587)