Exact Mass: 400.05091880000003

Exact Mass Matches: 400.05091880000003

Found 150 metabolites which its exact mass value is equals to given mass value 400.05091880000003, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

bis(glycerophospho)glycerol

Bis(glycerophospho)-glycerol

C9H22O13P2 (400.0535622)


   

4-Demethylpremithramycinone

4-Demethylpremithramycinone

C20H16O9 (400.0794286)


   

Versiconal hemiacetal acetate

(2S,3S)-versiconal hemiacetal acetate

C20H16O9 (400.0794286)


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

2,3,4,5-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-6H-benzo[7]annulen-6-one

C20H16O9 (400.0794286)


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-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide

(2S,3S,4S,5R)-6-{2,3-dihydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H20O11 (400.100557)


5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide

(2S,3S,4S,5R,6S)-6-{2,6-dihydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H20O11 (400.100557)


5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

Sinapinic acid-O-glucuronide isomer

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid

C17H20O11 (400.100557)


Sinapinic acid-O-glucuronide isomer is a conjugate of Sinapinic acid and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

Sinapic acid 4-O-glucuronide

(2S,3S,4S,5R,6S)-6-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2,6-dimethoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H20O11 (400.100557)


Sinapic acid 4-O-glucuronide is an endogenous phenolic acid metabolite. Sinapic acid 4-O-glucuronide was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).

   

Sinapic acid glucuronide

(2S,3S,4S,5R,6S)-6-[4-(2-carboxyeth-1-en-1-yl)-2,6-dimethoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H20O11 (400.100557)


   

5-(5-Iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

5-[5-iodo-4-methoxy-2-(propan-2-yl)phenoxy]pyrimidine-2,4-diamine

C14H17IN4O2 (400.0396212)


   

Nicousamide Pyrotinib Maleate

[2-carboxy-4-(8-methyl-6-nitro-7-oxido-2-oxo-2H-chromene-3-amido)phenyl]oxidanium

C18H12N2O9 (400.0542782)


   

Pyrogallol Red

3,4,5,6-tetrahydroxyspiro[2,1lambda6-benzoxathiole-3,9-xanthene]-1,1-dione

C19H12O8S (400.02528720000004)


   

TRICIRIBINE PHOSPHATE

[(5-{5-amino-7-methyl-2,6,7,9,11-pentaazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,5,8,10-pentaen-2-yl}-3,4-dihydroxyoxolan-2-yl)methoxy]phosphonic acid

C13H17N6O7P (400.08963020000004)


   

Paeciloquinone B

(+-)-9,10-Dihydro-1,3,6,8-tetrahydroxy-9,10-dioxo-a-(3-oxobutyl)-2-anthraceneacetic acid

C20H16O9 (400.0794286)


   

Dihydrogeodin

Dihydrogeodin

C17H14Cl2O7 (400.0116554)


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.

   
   

Xestoquinol sulfate

Xestoquinol sulfate

C20H16O7S (400.0616706)


   

Linderofruticoside A

Linderofruticoside A

C17H20O11 (400.100557)


   

(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone

(-)-9,10-Dihydro-3,5-dihydroxy-2,10-diphenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4,8-dione

C24H16O6 (400.0946836)


   

3,5,7,4-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone

3,5,7-Trihydroxy-2- (4-hydroxyphenyl) -alpha-methyl-gamma,4-dioxo-4H-1-benzopyran-8-butanoic acid

C20H16O9 (400.0794286)


   

3,5,8-Trimethoxy-6,7:3,4-bis(methylenedioxy)flavone

6- (1,3-Benzodioxol-5-yl) -4,7,9-trimethoxy-8H-1,3-dioxolo [ 4,5-g ] [ 1 ] benzopyran-8-one

C20H16O9 (400.0794286)


   

3,5,3-Trimethoxy-6,7:4,5-bis(methylenedioxy)flavone

3,5,3-Trimethoxy-6,7:4,5-bis(methylenedioxy)flavone

C20H16O9 (400.0794286)


   
   
   
   

5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C17H20O11 (400.100557)


   
   

2-[(2,3-di-O-acetyl-beta-D-glucopyranosyl)oxy]-6-hydroxybenzoic acid

2-[(2,3-di-O-acetyl-beta-D-glucopyranosyl)oxy]-6-hydroxybenzoic acid

C17H20O11 (400.100557)


   

Methylstictic acid

Methylstictic acid

C20H16O9 (400.0794286)


   

1,2,8-triacetoxy-6-methoxy-xanthen-9-one|1,7,8-Triacetoxy-3-methoxyxanthon|gentiakochianin acetate

1,2,8-triacetoxy-6-methoxy-xanthen-9-one|1,7,8-Triacetoxy-3-methoxyxanthon|gentiakochianin acetate

C20H16O9 (400.0794286)


   
   
   
   
   

4-dehydro-deacetylgriseusin A

4-dehydro-deacetylgriseusin A

C20H16O9 (400.0794286)


   
   
   

5,5-Dithiobis[1-methylhistidine]

5,5-Dithiobis[1-methylhistidine]

C14H20N6O4S2 (400.09874)


   

methyl 3-O-methylvariegatate

methyl 3-O-methylvariegatate

C20H16O9 (400.0794286)


   
   

2(E)-O-feruloyl-4-O-methoxyglucaric acid

2(E)-O-feruloyl-4-O-methoxyglucaric acid

C17H20O11 (400.100557)


   
   

Methyl-3.5-dichlor-lecanorat

Methyl-3.5-dichlor-lecanorat

C17H14Cl2O7 (400.0116554)


   

5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

NCGC00380471-01!5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C17H20O11 (400.100557)


   

methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate

NCGC00180582-03!methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate

C17H14Cl2O7 (400.0116554)


   

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)

NCGC00381414-01_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)-

C18H21ClO8 (400.0924896)


   

methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate

methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate

C17H14Cl2O7 (400.0116554)


   
   

4-O-Demethyladriamycinone

4-O-Demethyladriamycinone

C20H16O9 (400.0794286)


   

Theaflagallin

2,3,4,6-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-5-one

C20H16O9 (400.0794286)


   

5-Hydroxy-6,8-dimethoxy-2-oxo-2H-chromen-7-yl ?-D-glucopyranoside

5-Hydroxy-6,8-dimethoxy-2-oxo-2H-chromen-7-yl ?-D-glucopyranoside

C17H20O11 (400.100557)


   

3-hydroxypropyl(triphenyl)phosphanium,bromide

3-hydroxypropyl(triphenyl)phosphanium,bromide

C21H22BrOP (400.0591552)


   

ethyl 2-[[4-bromo-3-(phenylmethoxycarbonylamino)butanoyl]amino]acetate

ethyl 2-[[4-bromo-3-(phenylmethoxycarbonylamino)butanoyl]amino]acetate

C16H21BrN2O5 (400.06337560000003)


   

2-Phenyl-2-imidazoline pyromellitate

2-Phenyl-2-imidazoline pyromellitate

C19H16N2O8 (400.0906616)


   
   

Thallium(III) acetate hydrate

Thallium(III) acetate hydrate

C6H11O7Tl (400.0248856)


   

Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(3-nitrophenyl)- (9CI)

Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(3-nitrophenyl)- (9CI)

C19H16N2O4S2 (400.0551456)


   

2-(3-(benzo[d]thiazol-2-yl)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid

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

Methyl 7-(benzyloxy)-8-bromo-4-methoxy-2-naphthoate

C20H17BrO4 (400.0310142)


   

N-(4-((4-CHLORO-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)PYRIMIDIN-2-YL)THIO)PHENYL)CYCLOPROPANECARBOXAMIDE

N-(4-((4-CHLORO-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)PYRIMIDIN-2-YL)THIO)PHENYL)CYCLOPROPANECARBOXAMIDE

C18H17ClN6OS (400.0873022)


   

4-Amino-3-[(2-sulfatoethyl)-sulfonyl]-benzanilide

4-Amino-3-[(2-sulfatoethyl)-sulfonyl]-benzanilide

C15H16N2O7S2 (400.0398906)


   
   

Urea, N-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]- (9CI)

Urea, N-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]- (9CI)

C17H10F6N4O (400.0758762)


   

1-Naphthalenesulfonicacid, 5-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)

1-Naphthalenesulfonicacid, 5-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)

C20H13N2NaO4S (400.0493698000001)


   

4-Nitro-4-aminostilbene-2,2-disulfonic acid

4-Nitro-4-aminostilbene-2,2-disulfonic acid

C14H12N2O8S2 (400.0035072)


   
   

5-NITRO-2-(4-(5-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE

5-NITRO-2-(4-(5-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE

C20H12N6O4 (400.09199920000003)


   

pyrogallol red

pyrogallol red

C19H12O8S (400.02528720000004)


D004396 - Coloring Agents

   

phenyl mercuric benzoate

phenyl mercuric benzoate

C13H10HgO2 (400.038708)


   

1H,1H,7H-Dodecafluoroheptyl methacrylate

1H,1H,7H-Dodecafluoroheptyl methacrylate

C11H8F12O2 (400.03326519999996)


   

5-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE

5-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE

C16H25IN2Si (400.083168)


   

(6-hydroxy-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) 2-methylprop-2-enoate

(6-hydroxy-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) 2-methylprop-2-enoate

C24H16O6 (400.0946836)


   

3-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE

3-IODO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE

C16H25IN2Si (400.083168)


   

Rosabulin

Rosabulin

C22H16N4O2S (400.0993916)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent

   

2,3,7,8-Tetraacetoxydibenzofuran

2,3,7,8-Tetraacetoxydibenzofuran

C20H16O9 (400.0794286)


   
   

5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE SULFATE DIHYDRATE

5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE SULFATE DIHYDRATE

C8H16N8O9S (400.07609260000004)


   

TRICIRIBINE PHOSPHATE

1,4,5,6,8-Pentaazaacenaphthylen-3-amine

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

   
   

2,2-BIPYRIDINIUM-N,N-DI(PROPYLSULFONATE)

2,2-BIPYRIDINIUM-N,N-DI(PROPYLSULFONATE)

C16H20N2O6S2 (400.076274)


   

af-353

2,4-Pyrimidinediamine, 5-[5-iodo-4-methoxy-2-(1-methylethyl)phenoxy]-

C14H17IN4O2 (400.0396212)


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

sodium 2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate

C20H13N2NaO4S (400.0493698000001)


   

2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl methacrylate

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

N-(2,2-DIMETHOXYETHYL)-6-(5-(PHENYLTHIO)THIOPHEN-2-YL)NICOTINAMIDE

C20H20N2O3S2 (400.091529)


   

Rhodium (III) acetylacetonate

Rhodium (III) acetylacetonate

C15H21O6Rh (400.0393096)


   

4,4-Dihydrazinostilbene-2,2-disulphonic acid

4,4-Dihydrazinostilbene-2,2-disulphonic acid

C14H16N4O6S2 (400.0511236)


   

Acamprosate calcium

Acamprosate calcium

C10H20CaN2O8S2 (400.028695)


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

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

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

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

1-(2,4-Dichlorobenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile

C20H14Cl2N2OS (400.0203854)


   

2-(6-bromo-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide

2-(6-bromo-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide

C19H17BrN2O3 (400.0422472)


   

D-glycero-D-altro-Octulose 1,8-bisphosphate

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

(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate

C19H13ClN2O6 (400.04621080000004)


   

5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide

(2S,3S,4S,5R)-6-{2,3-dihydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H20O11 (400.100557)


5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide

(2S,3S,4S,5R,6S)-6-{2,6-dihydroxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H20O11 (400.100557)


5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

Oxacillin(1-)

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-)

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-, (-)-

9,10-Anthracenedione, 2-(3-(acetyloxy)-1-(hydroxymethyl)propyl)-1,3,6,8-tetrahydroxy-, (-)-

C20H16O9-2 (400.0794286)


   

Demethylpremithracinone

Demethylpremithracinone

C20H16O9 (400.0794286)


   

4-deoxy-L-threo-hex-4-enopyranosiduronate-alpha-L-rhamnopyranose 3-sulfate

4-deoxy-L-threo-hex-4-enopyranosiduronate-alpha-L-rhamnopyranose 3-sulfate

C12H16O13S-2 (400.0311606)


   

Desmethylanthrotainin

Desmethylanthrotainin

C19H14NO9- (400.0668534)


   

[1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-3-yl]methylcarbamodithioic acid

[1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-3-yl]methylcarbamodithioic acid

C16H20N2O6S2 (400.076274)


   

[(2R,3R,4S,5S)-6-[(1R,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-3,4,5-trihydroxyoxan-2-yl] dihydrogen phosphate

[(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

2,3,4,6-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-5-one

C20H16O9 (400.0794286)


   

Sinapic acid glucuronide

Sinapic acid glucuronide

C17H20O11 (400.100557)


   

2,6-Bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-Bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C22H12N2O6 (400.0695332)


   

5-[(5-Bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile

5-[(5-Bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile

C19H17BrN2O3 (400.0422472)


   

3-[(2-chlorophenyl)methyl]-7-oxo-N-(thiophen-2-ylmethyl)-2H-triazolo[4,5-d]pyrimidine-5-carboxamide

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

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

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

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

1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl ester

C19H17BrN2O3 (400.0422472)


   

ethyl 2-[7-[(Z)-3-chlorobut-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate

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

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

N-[4-chloro-2-[(2,4-dimethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide

C20H17ClN2O5 (400.0825942)


   
   

(2E)-2-fatty-enoyladenylate(1-)

(2E)-2-fatty-enoyladenylate(1-)

C13H15N5O8P- (400.065822)


   

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]propyl hydrogen sulate

C17H20O9S (400.082799)


   

1-[5-Hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-4-yl]propan-2-yl 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

C17H20O9S (400.082799)


   

3-Acetyl-4,4a,6,7,9,12a-hexahydroxy-1,12-dihydrotetracene-2,5-dione

3-Acetyl-4,4a,6,7,9,12a-hexahydroxy-1,12-dihydrotetracene-2,5-dione

C20H16O9 (400.0794286)


   

(2S,3S)-versiconal hemiacetal acetate

(2S,3S)-versiconal hemiacetal acetate

C20H16O9 (400.0794286)


An optically active form of versiconal hemiacetal acetate having 2S,3S-configuration.

   

Sinapinic acid-O-glucuronide isomer

Sinapinic acid-O-glucuronide isomer

C17H20O11 (400.100557)


   

5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide

5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide

C17H20O11 (400.100557)


   

5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide

5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide

C17H20O11 (400.100557)


   

Demethylpremithramycinone

Demethylpremithramycinone

C20H16O9 (400.0794286)


   

MRK-898

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

3,5-dihydroxy-2,10-diphenyl-9h,10h-pyrano[2,3-h]chromene-4,8-dione

C24H16O6 (400.0946836)


   

2-{[(2s,3r,4s,5r,6r)-3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxybenzoic acid

2-{[(2s,3r,4s,5r,6r)-3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxybenzoic acid

C17H20O11 (400.100557)


   

(3e)-7,8-dihydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-(hydroxymethyl)-tetrahydro-4ah-pyrano[3,2-b][1,4]oxathiin-2-one

(3e)-7,8-dihydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-(hydroxymethyl)-tetrahydro-4ah-pyrano[3,2-b][1,4]oxathiin-2-one

C17H20O9S (400.082799)


   

3,5-dichloro-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoic acid

3,5-dichloro-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoic acid

C17H14Cl2O7 (400.0116554)


   

5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-3h,4h-pyrano[3,2-g]chromene-2,6-dione

5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-3h,4h-pyrano[3,2-g]chromene-2,6-dione

C24H16O6 (400.0946836)


   

5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexanoic acid

5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexanoic acid

C20H16O9 (400.0794286)


   

13-chloro-5,8,9,14,16-pentahydroxy-3-methyl-4,5,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione

13-chloro-5,8,9,14,16-pentahydroxy-3-methyl-4,5,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione

C18H21ClO8 (400.0924896)


   

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

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

C20H16O9 (400.0794286)


   

6-(2h-1,3-benzodioxol-5-yl)-4,7,9-trimethoxy-2h-[1,3]dioxolo[4,5-g]chromen-8-one

6-(2h-1,3-benzodioxol-5-yl)-4,7,9-trimethoxy-2h-[1,3]dioxolo[4,5-g]chromen-8-one

C20H16O9 (400.0794286)