Exact Mass: 400.04958120000003
Exact Mass Matches: 400.04958120000003
Found 160 metabolites which its exact mass value is equals to given mass value 400.04958120000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Versiconal hemiacetal acetate
An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 2-acetoxyethyl group. An intermediate in the biosynthesis of aflatoxin.
Theaflagallin
Red pigment from black tea (Camellia sinensis variety assamica). Theaflagallin is found in tea. Epitheaflagallin is found in tea. Epitheaflagallin is a pigment from black tea.
5-(5-Iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
Nicousamide Pyrotinib Maleate
Pyrogallol Red
C19H12O8S (400.02528720000004)
TRICIRIBINE PHOSPHATE
C13H17N6O7P (400.08963020000004)
Paeciloquinone B
Dihydrogeodin
A member of the class of benzophenones that is sulochrin in which the hydrogens at positions 3 and 5 are substituted by chloro groups. It is isolated from several Aspergillus species.
(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone
3,5,7,4-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
3,5,8-Trimethoxy-6,7:3,4-bis(methylenedioxy)flavone
3,5,3-Trimethoxy-6,7:4,5-bis(methylenedioxy)flavone
1,2,8-triacetoxy-6-methoxy-xanthen-9-one|1,7,8-Triacetoxy-3-methoxyxanthon|gentiakochianin acetate
methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate
C18H21ClO8_1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,8,9,10-hexahydro-5,8,9,14,16-pentahydroxy-3-methyl-, (6E)
methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate
Theaflagallin
ethyl 2-[[4-bromo-3-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
C16H21BrN2O5 (400.06337560000003)
6-Amino-9H-purin-2-ol sulfate (2:1)
C10H12N10O6S (400.06619720000003)
Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(3-nitrophenyl)- (9CI)
2-(3-(benzo[d]thiazol-2-yl)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid
C22H12N2O4S (400.05177520000007)
Methyl 7-(benzyloxy)-8-bromo-4-methoxy-2-naphthoate
N-(4-((4-CHLORO-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)PYRIMIDIN-2-YL)THIO)PHENYL)CYCLOPROPANECARBOXAMIDE
Urea, N-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]- (9CI)
1-Naphthalenesulfonicacid, 5-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
C20H13N2NaO4S (400.0493698000001)
5-NITRO-2-(4-(5-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE
C20H12N6O4 (400.09199920000003)
1H,1H,7H-Dodecafluoroheptyl methacrylate
C11H8F12O2 (400.03326519999996)
5-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
(6-hydroxy-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) 2-methylprop-2-enoate
3-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
Rosabulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE SULFATE DIHYDRATE
C8H16N8O9S (400.07609260000004)
TRICIRIBINE PHOSPHATE
C13H17N6O7P (400.08963020000004)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor C471 - Enzyme Inhibitor > C2254 - Amidophosphoribosyltransferase Inhibitor
4-chlorophenylguanidine carbonate
C15H18Cl2N6O3 (400.08173780000004)
af-353
AF-353 (Ro-4) is a potent, selective and orally bioavailable P2X3/P2X2/3 receptor antagonist, with a pIC50 of 8.0 for both human and rat P2X3, and with a pIC50 of 7.3 for human P2X2/3[1][2].
sodium 2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate
C20H13N2NaO4S (400.0493698000001)
2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl methacrylate
C11H8F12O2 (400.03326519999996)
N-(2,2-DIMETHOXYETHYL)-6-(5-(PHENYLTHIO)THIOPHEN-2-YL)NICOTINAMIDE
Acamprosate calcium
D002491 - Central Nervous System Agents > D000427 - Alcohol Deterrents C26170 - Protective Agent > C1509 - Neuroprotective Agent
Benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C23H16N2O3S (400.08815860000004)
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
C17H13ClN6O2S (400.05091880000003)
2-chloro-1-{5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl}ethan-1-one
C17H15ClF2N2O3S (400.04599340000004)
1-(2,4-Dichlorobenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
2-(6-bromo-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
D-glycero-D-altro-Octulose 1,8-bisphosphate
C8H18O14P2 (400.01717879999995)
(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
C19H13ClN2O6 (400.04621080000004)
Oxacillin(1-)
C19H18N3O5S- (400.09671180000004)
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
grixazone A(1-)
C18H14N3O6S- (400.06032840000006)
An L-alpha-amino-acid anion that is the conjugate base of grixazone A, obtained by deprotonation of the carboxy group.
9,10-Anthracenedione, 2-(3-(acetyloxy)-1-(hydroxymethyl)propyl)-1,3,6,8-tetrahydroxy-, (-)-
4-deoxy-L-threo-hex-4-enopyranosiduronate-alpha-L-rhamnopyranose 3-sulfate
[1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-3-yl]methylcarbamodithioic acid
[(2R,3R,4S,5S)-6-[(1R,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-3,4,5-trihydroxyoxan-2-yl] dihydrogen phosphate
C8H18O14P2 (400.01717879999995)
2,3,4,6-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-5-one
2,6-Bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
5-[(5-Bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile
3-[(2-chlorophenyl)methyl]-7-oxo-N-(thiophen-2-ylmethyl)-2H-triazolo[4,5-d]pyrimidine-5-carboxamide
C17H13ClN6O2S (400.05091880000003)
4-[[2-[[5-(3-Methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid
C18H16N4O3S2 (400.06637859999995)
2-(3,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
C17H18Cl2N2O3S (400.0415138000001)
3-[(4-Chlorophenyl)sulfonylamino]propanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
C16H17ClN2O6S (400.04958120000003)
1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl ester
ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
C16H21ClN4O4S (400.0971976000001)
4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
C23H16N2O3S (400.08815860000004)
N-[4-chloro-2-[(2,4-dimethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide
1-[5-Hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-4-yl]propyl hydrogen sulate
1-[5-Hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-4-yl]propan-2-yl hydrogen sulate
3-Acetyl-4,4a,6,7,9,12a-hexahydroxy-1,12-dihydrotetracene-2,5-dione
(2S,3S)-versiconal hemiacetal acetate
An optically active form of versiconal hemiacetal acetate having 2S,3S-configuration.
MRK-898
C20H9F5N4 (400.07473339999996)
MRK-898 is an orally active GABA(A) receptor modulator. MRK-898 binds to α1, α2, α3 or α5 subunit of GABA(A) receptor with Ki values of 1.2 nM, 1.0 nM, 0.73 nM, and 0.50 nM, respectively. However, α1-containing GABA(A) receptors are identified as the "sedative" and α2- and/or α3-containing receptors as the "anxiolytic" subtype(s)[1].
3,5-dihydroxy-2,10-diphenyl-9h,10h-pyrano[2,3-h]chromene-4,8-dione
(3e)-7,8-dihydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-(hydroxymethyl)-tetrahydro-4ah-pyrano[3,2-b][1,4]oxathiin-2-one
3,5-dichloro-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoic acid
5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-3h,4h-pyrano[3,2-g]chromene-2,6-dione
5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexanoic acid
13-chloro-5,8,9,14,16-pentahydroxy-3-methyl-4,5,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
13-hydroxy-5,17-dimethoxy-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-carbaldehyde
6-(2h-1,3-benzodioxol-5-yl)-4,7,9-trimethoxy-2h-[1,3]dioxolo[4,5-g]chromen-8-one
3,4'-dihydroxy-6-methyl-12',16'-dioxaspiro[oxane-2,17'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1'(10'),3',5',7'-tetraene-2',4,9',13'-tetrone
14-ethoxy-5,18-dihydroxy-7,12-dimethyl-9,16-dioxo-2,10,15-trioxatetracyclo[9.7.0.0³,⁸.0¹³,¹⁷]octadeca-1(11),3,5,7,12,17-hexaene-4-carbaldehyde
(4s)-5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-3h,4h-pyrano[3,2-g]chromene-2,6-dione
7,9-dimethoxy-6-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
(6r,7r)-3-[(acetyloxy)methyl]-7-[(5-carboxy-1-hydroxypentylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(2s)-5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexanoic acid
4-oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl acetate
11-chloro-12,13-dihydroxy-5-(1-hydroxyethyl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione
(3r)-13-chloro-5,8,9,14,16-pentahydroxy-3-methyl-4,5,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
(10s)-5-hydroxy-2-(4-hydroxyphenyl)-10-phenyl-9h,10h-pyrano[2,3-h]chromene-4,8-dione
(3s,5s,7z,9e)-6,13-dichloro-5,14,16-trihydroxy-3-methyl-4,5,6,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
C18H18Cl2O6 (400.04803880000003)
15-hydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,16,18-pentaene-2,12-dione
5-hydroxy-2-(4-hydroxyphenyl)-10-phenyl-9h,10h-pyrano[2,3-h]chromene-4,8-dione
(17s)-13-hydroxy-5,17-dimethoxy-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-carbaldehyde
[(1s)-8-hydroxy-1-methyl-12-oxo-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl]oxidanesulfonic acid
2-(3,4-dihydroxyphenyl)-8-hydroxy-11-methoxynaphtho[2,1-f]chromen-9-one
3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate
7,8-bis(acetyloxy)-3-methoxy-9-oxoxanthen-1-yl acetate
(1r,11r,14s,15s)-15-hydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,16,18-pentaene-2,12-dione
2,3,4,5-tetrahydroxy-8-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzo[7]annulen-6-one
(2r,3r,6r,11'r,15'r)-3,4'-dihydroxy-6-methyl-12',16'-dioxaspiro[oxane-2,17'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1'(10'),3',5',7'-tetraene-2',4,9',13'-tetrone
(10s)-3,5-dihydroxy-2,10-diphenyl-9h,10h-pyrano[2,3-h]chromene-4,8-dione
6,13-dichloro-5,14,16-trihydroxy-3-methyl-4,5,6,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
C18H18Cl2O6 (400.04803880000003)
methyl 2-(6,8-dihydroxy-3-methyl-1-oxoisochromene-7-carbonyl)-3-hydroxy-5-methoxybenzoate
3-[5,6-dihydroxy-2-(methoxycarbonyl)-1-benzofuran-3-yl]-5,6-dihydroxy-1-benzofuran-2-carboxylic acid
(3r,5r,6s,7z,9e)-6,13-dichloro-5,14,16-trihydroxy-3-methyl-4,5,6,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
C18H18Cl2O6 (400.04803880000003)