Exact Mass: 531.19

Terconazole

C26H31Cl2N5O3 (531.1804)

Terconazole is only found in individuals that have used or taken this drug. It is an anti-fungal medication, primarily used to treat vaginal fungal infections. [Wikipedia]Terconazole may exert its antifungal activity by disrupting normal fungal cell membrane permeability. Terconazole and other triazole antifungal agents inhibit cytochrome P450 14-alpha-demethylase in susceptible fungi, which leads to the accumulation of lanosterol and other methylated sterols and a decrease in ergosterol concentration. Depletion of ergosterol in the membrane disrupts the structure and function of the fungal cell leading to a decrease or inhibition of fungal growth. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AG - Triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents

Phaseolotoxin

C15H34N9O8PS (531.1989)

Rupatadine Fumarate

C30H30ClN3O4 (531.1925)

Rupatadine (UR-12592) Fumarate is a potent, orally active and long-lasting dual PAF/H1 antagonist, with Kis of 0.55 μM and 0.1 μM, respectively. Rupatadine Fumarate can be used for the research of allergic rhinitis and urticaria[1][2][3].

Presatovir

C24H30ClN7O3S (531.1819)

C254 - Anti-Infective Agent > C281 - Antiviral Agent

Alkaloid RC

C26H29NO11 (531.1741)

Alkaloid RC is an alkaloid RC is an alkaloid from Papaver rhoeas (corn poppy)
Alkaloid RC belongs to the family of glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. (Inferred from compound structure)

Neoacrimarine I

C29H25NO9 (531.1529)

Neoacrimarine I is found in citrus. Neoacrimarine I is an alkaloid from the roots of Citrus paradisi (grapefruit Alkaloid from the roots of Citrus paradisi (grapefruit). Neoacrimarine I is found in citrus.

Neoacrimarine F

C29H25NO9 (531.1529)

Neoacrimarine F is found in citrus. Neoacrimarine F is an alkaloid from the roots of Citrus paradisi (grapefruit) x Citrus tangerina (tangerine

Carboxyfluorescein diacetate

C28H25N3O8 (531.1642)

3-[[2-(2-Benzoyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]benzoic acid

C29H29N3O7 (531.2005)

Urea, N-(2-chloroethyl)-N'-(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)-N'-(2-methylpropyl)-N-nitroso-

C19H34ClN3O12 (531.1831)

CHEMBL4437011

C29H25NO9 (531.1529)

Staudine

C31H33NO7 (531.2257)

Ezomycin B2|Ezomycin C2

C19H25N5O13 (531.1449)

Lamellarin E

C29H25NO9 (531.1529)

4-Methoxyoxohernandaline

C29H25NO9 (531.1529)

Asterin A

C25H33N5O8 (531.2329)

Oxyanthin 5-benzoate

C26H29NO11 (531.1741)

C20H37NO15

C20H37NO15 (531.2163)

denticin B

C26H33N3O7S (531.2039)

asterinin A

C25H33N5O8 (531.2329)

melleumin B

C26H33N3O9 (531.2217)

Pro Gly Glu Cys Leu

C22H37N5O8S (531.2363)

Asn His Phe Asp

C23H29N7O8 (531.2078)

Asn Phe His Asp

C23H29N7O8 (531.2078)

Thr Glu Asp Pro Ala

C21H33N5O11 (531.2176)

Pro Ala Asp Thr Glu

C21H33N5O11 (531.2176)

MK-547

C31H33NO7 (531.2257)

CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5169; ORIGINAL_PRECURSOR_SCAN_NO 5165 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5220; ORIGINAL_PRECURSOR_SCAN_NO 5219 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5188; ORIGINAL_PRECURSOR_SCAN_NO 5186 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5190; ORIGINAL_PRECURSOR_SCAN_NO 5188 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5265; ORIGINAL_PRECURSOR_SCAN_NO 5263 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5189; ORIGINAL_PRECURSOR_SCAN_NO 5186 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9697; ORIGINAL_PRECURSOR_SCAN_NO 9696 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9731; ORIGINAL_PRECURSOR_SCAN_NO 9727 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9747; ORIGINAL_PRECURSOR_SCAN_NO 9745 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9775; ORIGINAL_PRECURSOR_SCAN_NO 9772 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9740; ORIGINAL_PRECURSOR_SCAN_NO 9738 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9776; ORIGINAL_PRECURSOR_SCAN_NO 9774

Cys His Ser Trp

C23H29N7O6S (531.19)

Cys His Trp Ser

C23H29N7O6S (531.19)

Cys Ser His Trp

C23H29N7O6S (531.19)

Cys Ser Trp His

C23H29N7O6S (531.19)

Cys Trp His Ser

C23H29N7O6S (531.19)

Cys Trp Ser His

C23H29N7O6S (531.19)

Asp Asp Pro Trp

C24H29N5O9 (531.1965)

Asp Asp Trp Pro

C24H29N5O9 (531.1965)

Asp Phe His Asn

C23H29N7O8 (531.2078)

Asp Phe Asn His

C23H29N7O8 (531.2078)

Asp His Phe Asn

C23H29N7O8 (531.2078)

Asp His Asn Phe

C23H29N7O8 (531.2078)

Asp Asn Phe His

C23H29N7O8 (531.2078)

Asp Asn His Phe

C23H29N7O8 (531.2078)

Asp Pro Asp Trp

C24H29N5O9 (531.1965)

Asp Pro Trp Asp

C24H29N5O9 (531.1965)

Asp Trp Asp Pro

C24H29N5O9 (531.1965)

Asp Trp Pro Asp

C24H29N5O9 (531.1965)

Glu Pro Thr Trp

C25H33N5O8 (531.2329)

Glu Pro Trp Thr

C25H33N5O8 (531.2329)

Glu Gln Gln Gln

C20H33N7O10 (531.2289)

Glu Thr Pro Trp

C25H33N5O8 (531.2329)

Glu Thr Trp Pro

C25H33N5O8 (531.2329)

Glu Trp Pro Thr

C25H33N5O8 (531.2329)

Glu Trp Thr Pro

C25H33N5O8 (531.2329)

Phe Asp His Asn

C23H29N7O8 (531.2078)

Phe Asp Asn His

C23H29N7O8 (531.2078)

Phe His Asp Asn

C23H29N7O8 (531.2078)

Phe His Asn Asp

C23H29N7O8 (531.2078)

Phe Asn Asp His

C23H29N7O8 (531.2078)

Phe Asn His Asp

C23H29N7O8 (531.2078)

His Cys Ser Trp

C23H29N7O6S (531.19)

His Cys Trp Ser

C23H29N7O6S (531.19)

His Asp Phe Asn

C23H29N7O8 (531.2078)

His Asp Asn Phe

C23H29N7O8 (531.2078)

His Phe Asp Asn

C23H29N7O8 (531.2078)

His Phe Asn Asp

C23H29N7O8 (531.2078)

His Met Met Asn

C20H33N7O6S2 (531.1934)

His Met Asn Met

C20H33N7O6S2 (531.1934)

His Asn Asp Phe

C23H29N7O8 (531.2078)

His Asn Phe Asp

C23H29N7O8 (531.2078)

His Asn Met Met

C20H33N7O6S2 (531.1934)

His Ser Cys Trp

C23H29N7O6S (531.19)

His Ser Trp Cys

C23H29N7O6S (531.19)

His Trp Cys Ser

C23H29N7O6S (531.19)

His Trp Ser Cys

C23H29N7O6S (531.19)

Met His Met Asn

C20H33N7O6S2 (531.1934)

Met His Asn Met

C20H33N7O6S2 (531.1934)

Met Met His Asn

C20H33N7O6S2 (531.1934)

Met Met Asn His

C20H33N7O6S2 (531.1934)

Met Asn His Met

C20H33N7O6S2 (531.1934)

Met Asn Met His

C20H33N7O6S2 (531.1934)

Asn Asp Phe His

C23H29N7O8 (531.2078)

Asn Asp His Phe

C23H29N7O8 (531.2078)

Asn Phe Asp His

C23H29N7O8 (531.2078)

Asn His Asp Phe

C23H29N7O8 (531.2078)

Asn His Met Met

C20H33N7O6S2 (531.1934)

Asn Met His Met

C20H33N7O6S2 (531.1934)

Asn Met Met His

C20H33N7O6S2 (531.1934)

Pro Asp Asp Trp

C24H29N5O9 (531.1965)

Pro Asp Trp Asp

C24H29N5O9 (531.1965)

Pro Glu Thr Trp

C25H33N5O8 (531.2329)

Pro Glu Trp Thr

C25H33N5O8 (531.2329)

Pro Thr Glu Trp

C25H33N5O8 (531.2329)

Pro Thr Trp Glu

C25H33N5O8 (531.2329)

Pro Trp Asp Asp

C24H29N5O9 (531.1965)

Pro Trp Glu Thr

C25H33N5O8 (531.2329)

Pro Trp Thr Glu

C25H33N5O8 (531.2329)

Gln Glu Gln Gln

C20H33N7O10 (531.2289)

Gln Gln Glu Gln

C20H33N7O10 (531.2289)

Gln Gln Gln Glu

C20H33N7O10 (531.2289)

Ser Cys His Trp

C23H29N7O6S (531.19)

Ser Cys Trp His

C23H29N7O6S (531.19)

Ser His Cys Trp

C23H29N7O6S (531.19)

Ser His Trp Cys

C23H29N7O6S (531.19)

Ser Trp Cys His

C23H29N7O6S (531.19)

Ser Trp His Cys

C23H29N7O6S (531.19)

Thr Glu Pro Trp

C25H33N5O8 (531.2329)

Thr Glu Trp Pro

C25H33N5O8 (531.2329)

Thr Pro Glu Trp

C25H33N5O8 (531.2329)

Thr Pro Trp Glu

C25H33N5O8 (531.2329)

Thr Trp Glu Pro

C25H33N5O8 (531.2329)

Thr Trp Pro Glu

C25H33N5O8 (531.2329)

Trp Cys His Ser

C23H29N7O6S (531.19)

Trp Cys Ser His

C23H29N7O6S (531.19)

Trp Asp Asp Pro

C24H29N5O9 (531.1965)

Trp Asp Pro Asp

C24H29N5O9 (531.1965)

Trp Glu Pro Thr

C25H33N5O8 (531.2329)

Trp Glu Thr Pro

C25H33N5O8 (531.2329)

Trp His Cys Ser

C23H29N7O6S (531.19)

Trp His Ser Cys

C23H29N7O6S (531.19)

Trp Pro Asp Asp

C24H29N5O9 (531.1965)

Trp Pro Glu Thr

C25H33N5O8 (531.2329)

Trp Pro Thr Glu

C25H33N5O8 (531.2329)

Trp Ser Cys His

C23H29N7O6S (531.19)

Trp Ser His Cys

C23H29N7O6S (531.19)

Trp Thr Glu Pro

C25H33N5O8 (531.2329)

Trp Thr Pro Glu

C25H33N5O8 (531.2329)

TEDPA

C21H33N5O11 (531.2176)

PADTE

C21H33N5O11 (531.2176)

Alkaloid RC

C26H29NO11 (531.1741)

Neoacrimarine F

C29H25NO9 (531.1529)

Neoacrimarine I

C29H25NO9 (531.1529)

Exatecan (Mesylate)

C25H26FN3O7S (531.1475)

Fmoc-His(Tos)-OH

C28H25N3O6S (531.1464)

TERT-BUTYL (5-(6-(BENZYLOXY)-5-(TRIFLUOROMETHYL)NAPHTHALEN-2-YL)-2,2-DIMETHYL-1,3-DIOXAN-5-YL)CARBAMATE

C29H32F3NO5 (531.2232)

Dibekacin sulfate

C18H37N5O11S (531.221)

1-Dodecyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)imide

C18H31F6N3O4S2 (531.166)

1H-1,4-Benzodiazepine-1-aceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-2-oxo-5-phenyl-(9CI)

C32H25N3O5 (531.1794)

Ethyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-1-thio-beta-D-glucopyranoside

C30H29NO6S (531.1715)

Silodosin

C22H24FN3O2.C4H6O6 (531.2017)

butropium bromide

C28H38BrNO4 (531.1984)

C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent

5H-(1)Benzopyrano(2,3-b)pyridine-5-acetamide, 2-(4-((ethylmethylamino)carbonyl)-3-fluorophenyl)-alpha,alpha-dimethyl-N-1,3,4-thiadiazol-2-yl-, (5S)-

C28H26FN5O3S (531.174)

5H-Cyclopenta(b)pyridine-6-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-2-butyl-7-(2-((2S)-2-carboxypropyl)-4-methoxyphenyl)-6,7-dihydro-, (5S,6R,7R)-

C31H33NO7 (531.2257)

D065128 - Endothelin Receptor Antagonists

1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine

C26H31Cl2N5O3 (531.1804)

methyl (2S,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

C27H35N2O9+ (531.2342)

[(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] dihydrogen phosphate

C18H38N5O11P (531.2305)

N-[(5S)-5-acetamido-6-methoxy-6-oxohexyl]-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphonamidic acid

C19H30N7O9P (531.1843)

Triaconazole

C26H31Cl2N5O3 (531.1804)

D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

3alpha(S)-strictosidinium(1+)

C27H35N2O9+ (531.2342)

Conjugate base of 3alpha(S)-strictosidine arising from protonation of the secondary amino group; major species at pH 7.3.

(3-fluorophenyl)-[(1R)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanone

C30H27F2N3O4 (531.197)

3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

C30H33N3O6 (531.2369)

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

C30H33N3O6 (531.2369)

3-(2-fluorophenyl)-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

C30H33N3O6 (531.2369)

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

C30H33N3O6 (531.2369)

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

C30H33N3O6 (531.2369)

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C30H33N3O6 (531.2369)

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C30H33N3O6 (531.2369)

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C30H33N3O6 (531.2369)

[(1S)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol

C30H33N3O4S (531.2192)

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

C30H33N3O6 (531.2369)

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

C30H33N3O6 (531.2369)

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C30H33N3O6 (531.2369)

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C30H33N3O6 (531.2369)

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

C30H33N3O6 (531.2369)

(3-fluorophenyl)-[(1S)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanone

C30H27F2N3O4 (531.197)

[(1R)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol

C30H33N3O4S (531.2192)

gammaGluCys(IAN)Glu(2-)

C23H25N5O8S-2 (531.1424)

N-[(2S,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

C20H37NO15 (531.2163)

N-[(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide

C20H37NO15 (531.2163)

Fucalpha1-2Galbeta1-3GalNAc-ol

C20H37NO15 (531.2163)

N-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5,6-tetrahydroxyhexan-2-yl]acetamide

C20H37NO15 (531.2163)

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4,5-dihydroxy-2,3-dimethoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C21H29N3O11S (531.1523)

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C26H33N3O7S (531.2039)

N-[(2S,3R,4S,5R)-1,5,6-Trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide

C20H37NO15 (531.2163)

3-[[3-acetyloxy-2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid

C24H38NO10P (531.2233)

Terconazole

C26H31Cl2N5O3 (531.1804)

G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AG - Triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents

gammaGluCys(IAN)Glu(2-)

C23H25N5O8S (531.1424)

A peptide anion obtained by deprotonation of the carboxy groups and protonation of the free amino group of gammaGluCys(IAN)Glu; major species at pH 7.3.

PS 2:0_16:4

C24H38NO10P (531.2233)

ST 22:3;O7;Tau

C24H37NO10S (531.2138)

ST 26:7;O4;Tau

C28H37NO7S (531.2291)

Adenylosuccinic acid (tetraammonium)

C14H30N9O11P (531.1802)

Adenylosuccinic acid tetraammonium (Adenylosuccinate; Aspartyl adenylate) is an orally active purine ribonucleoside monophosphate and plays a role in nucleotide cycle metabolite. Adenylosuccinic acid tetraammonium can be converted into fumaric acid through adenylosuccinate lyase. Adenylosuccinic acid tetraammonium has the potential for the study of duchenne muscular dystrophy(DMD)[1].

DO34

C26H28F3N5O4 (531.2093)

DO34 is a highly potent, selective and centrally active diacylglycerol lipase (DAGL) inhibitor, with an IC50 of 6 nM for DAGLα conversion of SAG to 2-AG, and an IC50 for DAGLβ.

DO34 analog

C26H28F3N5O4 (531.2093)

DO34 analog is a triazole DAGL(α) inhibitor extracted from patent WO2017096315 A1, compound 100.

TBAP-001

C27H23F2N7O3 (531.183)

TBAP-001 (Synthesis 13), extracted from patent WO2015075483A1, is a pan-RAF kinase inhibitor, with an IC50 of 62 nM in BRAF V600E kinase assay[1].

Thymotrinan (TFA)

C18H32F3N7O8 (531.2264)

Thymotrinan (RGH-0205) TFA is a biologically active fragment of the naturally occurring thymus hormone thymopoietin and a immunomodulating peptide. Thymotrinan TFA exerts similar immunomodulatory activities to TP5 and to affect humoral as well as cellular responses[1].

Zamifenacin (fumarate)

C31H33NO7 (531.2257)

Zamifenacin fumarate (UK-76654 fumarate) is a potent gut-selective muscarinic M3 receptor antagonist. Zamifenacin significantly reduces colonic motility in irritable bowel syndrome[1].

(1r,12s,19r)-5,14,15-trimethoxy-19-(2,4,5-trimethoxyphenyl)-11-azapentacyclo[10.6.2.0²,¹¹.0³,⁸.0¹³,¹⁸]icosa-2,4,7,13,15,17-hexaen-6-one

C31H33NO7 (531.2257)

7,18-dihydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C29H25NO9 (531.1529)

asterin a

C25H33N5O8 (531.2329)

{"Ingredient_id": "HBIN017183","Ingredient_name": "asterin a","Alias": "NA","Ingredient_formula": "C25H33N5O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14397","TCMID_id": "1922","TCMSP_id": "NA","TCM_ID_id": "6556","PubChem_id": "NA","DrugBank_id": "NA"}

asterinin a

C25H33N5O8 (531.2329)

{"Ingredient_id": "HBIN017186","Ingredient_name": "asterinin a","Alias": "NA","Ingredient_formula": "C25H33N5O8","Ingredient_Smile": "CCC(C(=O)O)NC(=O)CC(C1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C2=CC=CN2","Ingredient_weight": "531.56","OB_score": "NA","CAS_id": "157536-40-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6554","PubChem_id": "101667551","DrugBank_id": "NA"}

(2s,3r)-3-hydroxy-n-({[(3s)-3-hydroxy-1-(4-hydroxyphenyl)-5-methoxy-5-oxopentan-2-yl]-c-hydroxycarbonimidoyl}methyl)-2-[(4-methoxyphenyl)formamido]butanimidic acid

C26H33N3O9 (531.2217)

(7r,8r,10s)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8-ethyl-1,4,6,7,8,11-hexahydroxy-9,10-dihydro-7h-tetracene-5,12-dione

C26H29NO11 (531.1741)

(2s,3r)-3-hydroxy-n-({[(2s,3s)-3-hydroxy-1-(4-hydroxyphenyl)-5-methoxy-5-oxopentan-2-yl]-c-hydroxycarbonimidoyl}methyl)-2-[(4-methoxyphenyl)formamido]butanimidic acid

C26H33N3O9 (531.2217)

n-[3-(1h-indol-3-yl)-1-oxo-1-{[4-(sulfooxy)phenyl]methoxy}propan-2-yl]-4-methyl-2-(methylamino)hexanimidic acid

C26H33N3O7S (531.2039)

[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6r)-6-[(r)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl benzoate

C26H29NO11 (531.1741)

[5-({6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4-dihydroxyoxolan-3-yl]methyl benzoate

C26H29NO11 (531.1741)

1-hydroxy-5-{[(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

C29H25NO9 (531.1529)

1,6-dihydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3-methoxy-10-methylacridin-9-one

C29H25NO9 (531.1529)

12-(3,5-dimethoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5,7,9,12,14,16,18-octaene-7,18-diol

C30H29NO8 (531.1893)

7,18-dihydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C29H25NO9 (531.1529)

1,6-dihydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3-methoxy-10-methylacridin-9-one

C29H25NO9 (531.1529)

(2s,4s)-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-{[4-(sulfooxy)phenyl]methoxy}propan-2-yl]-4-methyl-2-(methylamino)hexanimidic acid

C26H33N3O7S (531.2039)

(2s)-2-[(3-{[(2s)-2-{[(2s,3s)-1,3-dihydroxy-2-(1h-pyrrol-2-ylformamido)butylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]butanoic acid

C25H33N5O8 (531.2329)

2-({3-[(2-{[1,3-dihydroxy-2-(1h-pyrrol-2-ylformamido)butylidene]amino}-1,3-dihydroxypropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)butanoic acid

C25H33N5O8 (531.2329)

(2s)-2-{[(3r)-3-{[(2s)-2-{[(2s,3s)-1,3-dihydroxy-2-(1h-pyrrol-2-ylformamido)butylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}butanoic acid

C25H33N5O8 (531.2329)

3-hydroxy-n-({[3-hydroxy-1-(4-hydroxyphenyl)-5-methoxy-5-oxopentan-2-yl]-c-hydroxycarbonimidoyl}methyl)-2-[(4-methoxyphenyl)formamido]butanimidic acid

C26H33N3O9 (531.2217)

1-hydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

C29H25NO9 (531.1529)

1-hydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3,6-dimethoxy-10h-acridin-9-one

C29H25NO9 (531.1529)