Exact Mass: 400.09199920000003
Exact Mass Matches: 400.09199920000003
Found 278 metabolites which its exact mass value is equals to given mass value 400.09199920000003
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4'-Demethylepipodophyllotoxin
4-demethylepipodophyllotoxin is an organic heterotetracyclic compound that is the 9- epimer of 4-demethylpodophyllotoxin. It has a role as an antineoplastic agent. It is a furonaphthodioxole, an organic heterotetracyclic compound and a member of phenols. An organic heterotetracyclic compound that is the 9- epimer of 4-demethylpodophyllotoxin. 4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly. 4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly.
alpha-Peltatin
An organic heterotetracyclic compound that is 4-demethylpodophyllotoxin which is substituted by a hydroxy group at position 10 but which is lacking the hydroxy group at position 9. It is found as a glucoside in the rhizomes of Podophyllum peltatum. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.898 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.899 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.887 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.886
Flavonol 3-O-D-galactoside
4-Demethylpodophyllotoxin
4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2]. 4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2].
4-(5,6,7,8-Tetramethoxy-4-oxo-4H-chromen-2-yl)phenyl acetate
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.
Zuclopenthixol
Zuclopenthixol is only found in individuals that have used or taken this drug. It is a thioxanthene with therapeutic actions similar to the phenothiazine antipsychotics. It is an antagonist at D1 and D2 dopamine receptors. [PubChem]Zuclopenthixol is a typical antipsychotic neuroleptic drug of the thioxanthene group. It mainly acts by antagonism of D1 and D2 dopamine receptors. Zuclopenthixol also has high affinity for alpha1-adrenergic and 5-HT2 receptors. It has weaker histamine H1 receptor blocking activity, and even lower affinity for muscarinic cholinergic and alpha2-adrenergic receptors. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Zuclopenthixol ((Z)-Clopenthixol) is a thioxanthene derivative which acts as a mixed dopamine D1/D2 receptor antagonist[1][2].
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-Hydroxyflavone
5-Hydroxyflavone is found in pulses. 5-Hydroxyflavone is a constituent of Medicago sativa. Constituent of Medicago sativa. 5-Hydroxyflavone is found in pulses.
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
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
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
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
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
Aglycone C
4'-Demethylepipodophyllotoxin
Cbmida
C16H20N2O10 (400.11179000000004)
Flavonol 3-O-D-glucoside
1H-Pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent MKC-1 (Ro-31-7453) is an orally active and potent cell cycle inhibitor with broad antitumor activity. MKC-1 inhibits the Akt/mTOR pathway. MKC-1 arrests cellular mitosis and induces cell apoptosis by binding to a number of different cellular proteins including tubulin and members of the importin β family[1][2][3].
Nicousamide Pyrotinib Maleate
TRICIRIBINE PHOSPHATE
C13H17N6O7P (400.08963020000004)
7N5E50463V
4-demethylpodophyllotoxin is an organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. It has a role as a metabolite. It is a furonaphthodioxole, an organic heterotetracyclic compound and a member of phenols. 4-Demethylpodophyllotoxin is a natural product found in Diphylleia grayi, Podophyllum peltatum, and other organisms with data available. An organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. 4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2]. 4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2].
Stemonacetal
Paeciloquinone B
Torosaflavone A
3-O-beta-Glucopyranosyl plumbagic acid methyl ester
C18H24O10 (400.13694039999996)
Piscerisoflavone B
(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone
6-Hydroxy-4-methoxyflavone 6-O-alpha-L-arabinopyranoside
3,5,7,4-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
3,5,7,4-Tetrahydroxy-8-methoxyflavanone 3-angelate
Thymusin 6-isobutyrate
3,5,8-Trimethoxy-6,7:3,4-bis(methylenedioxy)flavone
3,5,3-Trimethoxy-6,7:4,5-bis(methylenedioxy)flavone
[3,4,5-triacetyloxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl Acetate
5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
2-[(2,3-di-O-acetyl-beta-D-glucopyranosyl)oxy]-6-hydroxybenzoic acid
2,2-diamino-7,8,5,6,7,8-hexahydro-3H,3H-6,6-(3-hydroxy-2-oxo-propan-1-yl-1-ylidene)-bis-pteridin-4-one|Neodrosopterin
C15H16N10O4 (400.13559360000005)
4beta-(chloromethyl)-3beta,4alpha-dihydroxy,8alpha-[(S)-3-hydroxy-2-methylpropionyloxy]-1alphaH,5alphaH,6betaH,7alphaH-guaia-10(14),11(13)-dien-6,12-olide
7,10-Di-Me ether-3,7,9,10-Tetrahyedroxypterocarpan
3-epi-welwitindolinone B isothiocyanate
C21H21ClN2O2S (400.10121960000004)
1,2,8-triacetoxy-6-methoxy-xanthen-9-one|1,7,8-Triacetoxy-3-methoxyxanthon|gentiakochianin acetate
uvarirufone A|{(1S,2S,3R,4R)-1,2,4-trihydroxy-6-oxo-3-[(benzoyl)oxy]cyclohexyl}methyl benzoate
3-deoxy-7-O-alpha-D-galactopyranosyl-D-manno-2-octulopyranosonate
Regaloside D
C18H24O10 (400.13694039999996)
5-acetoxy-3,3,4,5-tetramethoxyflavone|5-Acetoxy-3-methoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-on|5-acetoxy-3-methoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one
(-)-(1S*,2S*,3R*,4R*,5R*,6R*)-3-O-benzoyl-1-benzoyloxymethyl-1,6-epoxycyclohexane-2,3,4,5-tetrol|(-)-rotepoxide A
(-)-(1S*,2S*,3S*,4S*,5R*,6R*)-4-O-benzoyl-1-benzoyloxymethyl-1,6-epoxycyclohexane-2,3,4,5-tetrol|(-)-rotepoxide B
4-O-beta-D-glucopyranosylsinapic acid methyl ester
C18H24O10 (400.13694039999996)
(3S,4S)-4-[(7-hydroxy-1,3-benzodioxol-5-yl)(7-methoxy-1,3-benzodioxol-5-yl)-methyl]-3-methyldihydrofuran-2(3H)-one|peperomin H
3,8,9,10,11-Pentamethoxy-5,7-dihydro[2]benzopyrano[4,3-b][1]benzopyran-7-one
7R,7S,8S,8R-8-hydroxy-6-methoxy-3,4:3,4-bis(methylenedioxy)-7,9:7,9-diepoxylignan|palatiferin A
Regaloside H
C18H24O10 (400.13694039999996)
Regaloside H is a natural product found in Lilium auratum, Lilium pensylvanicum, and Lilium mackliniae with data available. Regaloside H, a phenylpropanoid glycerol glucoside, is a gluconeogenesis inhibitor. Regaloside H can reduce glucose production in Hepatocytes[1].
3,3-bis-(1,1-dimethyl-2,2-dioxo-4,4-dimethoxy-5,5-dihydroxy-5,5-dimethoxycarbonyl-3-pyrroline)
C16H20N2O10 (400.11179000000004)
(10R*,11S*)-11-bromo-10-hydroxychromomoric acid F methyl ester
C19H29BrO4 (400.12490940000004)
Regaloside A
C18H24O10 (400.13694039999996)
Regaloside A is a natural product found in Lilium tenuifolium, Lilium auratum, and other organisms with data available. Regaloside A, a phenylpropanoid, shows significant DPPH radical scavenging activity of 58.0\\% at 160 ppm. Regaloside A has anti-inflammatory activity[1]. Regaloside A, a phenylpropanoid, shows significant DPPH radical scavenging activity of 58.0\% at 160 ppm. Regaloside A has anti-inflammatory activity[1].
5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
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)
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
3,8-dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaen-5-one
Zuclopenthixol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Zuclopenthixol ((Z)-Clopenthixol) is a thioxanthene derivative which acts as a mixed dopamine D1/D2 receptor antagonist[1][2].
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000845720]
5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based on: CCMSLIB00000847323]
5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one [IIN-based: Match]
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one_major
3,8-dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6,8,10,14-hexaen-5-one_major
3,8-dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.0²,¹?.0?,¹³.0?,¹¹]henicosa-2,4(13),6,8,10,14-hexaen-5-one
4-Demethylepipodophyllotoxin
4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly. 4'-Demethylepipodophyllotoxin (4'-DMEP) is an intermediate compound that inhibits microtubule assembly.
Elesclomol
C274 - Antineoplastic Agent > C177298 - Mitochondrial Targeting Antineoplastic Agent
Theaflagallin
5-Hydroxy-6,8-dimethoxy-2-oxo-2H-chromen-7-yl ?-D-glucopyranoside
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)
N-(4-((4-CHLORO-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)PYRIMIDIN-2-YL)THIO)PHENYL)CYCLOPROPANECARBOXAMIDE
3,5-bis[(4-azidophenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid
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)
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
C20H18F2N4O3 (400.1346901999999)
6-fluoro-1-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
C20H18F2N4O3 (400.1346901999999)
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
METHYL 4-(4-[(4-METHOXYBENZOYL)AMINO]-3-NITROPHENYL)-3-METHYL-4-OXOBUTANOATE
4-chlorophenylguanidine carbonate
C15H18Cl2N6O3 (400.08173780000004)
sodium 2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate
C20H13N2NaO4S (400.0493698000001)
3(or5)-[[4-[benzylmethylamino]phenyl]azo]-1,2(or1,4)-dimethyl-1H-1,2,4-triazolium bromide
ETHYL 3-(2-(CHLOROMETHYL)-1-METHYL-N-(PYRIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDO)PROPANOATE
C20H21ClN4O3 (400.13021060000005)
N-(2,2-DIMETHOXYETHYL)-6-(5-(PHENYLTHIO)THIOPHEN-2-YL)NICOTINAMIDE
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
Sordinol
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C23H16N2O3S (400.08815860000004)
Purpurquinone C
An azaphilone that is 1H-isochromene-6,8(7H,8aH)-dione substituted by a prop-1-en-1-yl group at position 3, a hydroxy group at position 8a, a methyl group at position 7 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium purpurogenum.
1-(1,5-Dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-methylphenyl)sulfonylurea
C19H20N4O4S (400.12052000000006)
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)
4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(1,1-dioxo-3-thiolanyl)butanamide
C20H20N2O5S (400.10928700000005)
2-(6-bromo-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
2-[[3-(4-methoxyphenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide
1-Methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione
C20H20N2O5S (400.10928700000005)
3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoic acid
(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
C19H13ClN2O6 (400.04621080000004)
AIDS-006790
4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2]. 4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2].
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
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
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)
3,8-Dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaen-5-one
4-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
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
Welwitindolinone B isothiocyanate
C21H21ClN2O2S (400.10121960000004)
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-, (-)-
N-[2-(carboxylatoamino)-1,2-bis(1H-indol-3-yl)ethyl]carbamate
Methyl(5-adenosyl)(3-hydroxy-3-carboxylatopropyl)sulfonium
C15H22N5O6S+ (400.12907320000005)
[1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-3-yl]methylcarbamodithioic acid
[(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-1(12)-en-6-yl] hydrogen sulfate
C15H22N5O6S+ (400.12907320000005)
S-[2-[3-[[(2R)-2-hydroxy-4-methyl-4-phosphonooxypentanoyl]amino]propanoylamino]ethyl] ethanethioate
C13H25N2O8PS (400.10691800000006)
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
4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
C19H20N4O4S (400.12052000000006)
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide
C20H18ClFN4O2 (400.11022499999996)
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)
N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide
C19H20N4O4S (400.12052000000006)
3-[(4-Chlorophenyl)sulfonylamino]propanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
C16H17ClN2O6S (400.04958120000003)
2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide
C20H20N2O5S (400.10928700000005)
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
2-phenyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
3,4,5-Trihydroxy-6-[5-(4-hydroxy-3-methoxyphenyl)pentanoyloxy]oxane-2-carboxylic acid
C18H24O10 (400.13694039999996)
1-[5-Hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-4-yl]propan-2-yl hydrogen sulate
3,4,5-trihydroxy-6-[3-[(E)-3-phenylprop-2-enoyl]phenoxy]oxane-2-carboxylic acid
(E,5S)-4,5-dihydroxy-1-(4-hydroxyphenyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhex-1-en-3-one
C18H24O10 (400.13694039999996)
3-Acetyl-4,4a,6,7,9,12a-hexahydroxy-1,12-dihydrotetracene-2,5-dione
Anti-5,8,13,16-tetrafluoro-4,6,12,14-tetramethoxy(2.2)metacyclophane
C20H20F4O4 (400.12976480000003)
Isoflavone 7-O-beta-D-glucoside
A glycosyloxyisoflavone that is 7-hydroxyisoflavone attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
(2S,3S)-versiconal hemiacetal acetate
An optically active form of versiconal hemiacetal acetate having 2S,3S-configuration.
(5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide
5-(3,4,5-Trihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide
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].