Exact Mass: 531.2468192
Exact Mass Matches: 531.2468192
Found 500 metabolites which its exact mass value is equals to given mass value 531.2468192
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Harringtonine
D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D006248 - Harringtonines relative retention time with respect to 9-anthracene Carboxylic Acid is 0.578 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.580 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.570 Harringtonine is a natural Cephalotaxus alkaloid that inhibits protein synthesis. Harringtonine has anti-chikungunya virus (CHIKV) activities with an EC50 of 0.24 μM. Harringtonine is a natural Cephalotaxus alkaloid that inhibits protein synthesis. Harringtonine has anti-chikungunya virus (CHIKV) activities with an EC50 of 0.24 μM.
Petasinoside
Petasinoside is found in green vegetables. Petasinoside is an alkaloid from flower stalks of Petasites japonicus (sweet coltsfoot
Azeliragon
C78272 - Agent Affecting Nervous System
Alkaloid C from cephalotaxus
D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D006248 - Harringtonines Harringtonine is a natural Cephalotaxus alkaloid that inhibits protein synthesis. Harringtonine has anti-chikungunya virus (CHIKV) activities with an EC50 of 0.24 μM. Harringtonine is a natural Cephalotaxus alkaloid that inhibits protein synthesis. Harringtonine has anti-chikungunya virus (CHIKV) activities with an EC50 of 0.24 μM.
Mirodenafil
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058986 - Phosphodiesterase 5 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor
harringtonin
Harringtonine is an alkaloid. Harringtonine is a natural product found in Cephalotaxus harringtonia, Cephalotaxus fortunei, and Apis cerana with data available. D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D006248 - Harringtonines Harringtonine is a natural Cephalotaxus alkaloid that inhibits protein synthesis. Harringtonine has anti-chikungunya virus (CHIKV) activities with an EC50 of 0.24 μM. Harringtonine is a natural Cephalotaxus alkaloid that inhibits protein synthesis. Harringtonine has anti-chikungunya virus (CHIKV) activities with an EC50 of 0.24 μM.
MIRODENAFIL
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058986 - Phosphodiesterase 5 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor
Fluprostenol serinol amide
Val Arg Glu Glu
Arg Ile Glu Asp
Isoharringtonine
Isoharringtonine is a natural product found in Cephalotaxus harringtonia and Cephalotaxus fortunei with data available.
MK-547
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
Ala Gln Gln Trp
Ala Gln Trp Gln
Ala Trp Gln Gln
Asp Glu Ile Arg
Asp Glu Leu Arg
Asp Glu Arg Ile
Asp Glu Arg Leu
Asp Ile Glu Arg
Asp Ile Arg Glu
Asp Ile Val Trp
Asp Ile Trp Val
Asp Leu Glu Arg
Asp Leu Arg Glu
Asp Leu Val Trp
Asp Leu Trp Val
Asp Asn Gln Arg
Asp Asn Arg Gln
Asp Gln Asn Arg
Asp Gln Arg Asn
Asp Arg Glu Ile
Asp Arg Glu Leu
Asp Arg Ile Glu
Asp Arg Leu Glu
Asp Arg Asn Gln
Asp Arg Gln Asn
Asp Val Ile Trp
Asp Val Leu Trp
Asp Val Trp Ile
Asp Val Trp Leu
Asp Trp Ile Val
Asp Trp Leu Val
Asp Trp Val Ile
Asp Trp Val Leu
Glu Asp Ile Arg
Glu Asp Leu Arg
Glu Asp Arg Ile
Glu Asp Arg Leu
Glu Glu Arg Val
Glu Glu Val Arg
Glu Ile Asp Arg
Glu Ile Arg Asp
Glu Lys Gln Gln
Glu Leu Asp Arg
Glu Leu Arg Asp
Glu Met Pro Arg
Glu Met Arg Pro
Glu Asn Asn Arg
Glu Asn Arg Asn
Glu Pro Met Arg
Glu Pro Arg Met
Glu Pro Thr Trp
Glu Pro Trp Thr
Glu Gln Lys Gln
Glu Gln Gln Lys
Glu Gln Gln Gln
C20H33N7O10 (531.2288798000001)
Glu Arg Asp Ile
Glu Arg Asp Leu
Glu Arg Glu Val
Glu Arg Ile Asp
Glu Arg Leu Asp
Glu Arg Met Pro
Glu Arg Asn Asn
Glu Arg Pro Met
Glu Arg Val Glu
Glu Thr Pro Trp
Glu Thr Trp Pro
Glu Val Glu Arg
Glu Val Arg Glu
Glu Val Val Trp
Glu Val Trp Val
Glu Trp Pro Thr
Glu Trp Thr Pro
Glu Trp Val Val
Phe His Gln Thr
Phe His Thr Gln
Phe Gln His Thr
Phe Gln Thr His
Phe Thr His Gln
Phe Thr Gln His
Gly His Arg Tyr
Gly His Tyr Arg
Gly Asn Arg Trp
Gly Asn Trp Arg
Gly Arg His Tyr
Gly Arg Asn Trp
Gly Arg Trp Asn
Gly Arg Tyr His
Gly Trp Asn Arg
Gly Trp Arg Asn
Gly Tyr His Arg
Gly Tyr Arg His
His Phe Gln Thr
His Phe Thr Gln
His Gly Arg Tyr
His Gly Tyr Arg
His Asn Val Tyr
His Asn Tyr Val
His Gln Phe Thr
His Gln Thr Phe
His Arg Gly Tyr
His Arg Tyr Gly
His Thr Phe Gln
His Thr Gln Phe
His Val Asn Tyr
His Val Tyr Asn
His Tyr Gly Arg
His Tyr Asn Val
His Tyr Arg Gly
His Tyr Val Asn
Ile Asp Glu Arg
Ile Asp Arg Glu
Ile Asp Val Trp
Ile Asp Trp Val
Ile Glu Asp Arg
Ile Glu Arg Asp
Ile Arg Asp Glu
Ile Arg Glu Asp
Ile Val Asp Trp
Ile Val Trp Asp
Ile Trp Asp Val
Ile Trp Val Asp
Lys Glu Gln Gln
Lys Gln Glu Gln
Lys Gln Gln Glu
Leu Asp Glu Arg
Leu Asp Arg Glu
Leu Asp Val Trp
Leu Asp Trp Val
Leu Glu Asp Arg
Leu Glu Arg Asp
Leu Arg Asp Glu
Leu Arg Glu Asp
Leu Val Asp Trp
Leu Val Trp Asp
Leu Trp Asp Val
Leu Trp Val Asp
Met Glu Pro Arg
Met Glu Arg Pro
Met Pro Glu Arg
Met Pro Arg Glu
Met Pro Val Trp
Met Pro Trp Val
Met Arg Glu Pro
Met Arg Pro Glu
Met Val Pro Trp
Met Val Trp Pro
Met Trp Pro Val
Met Trp Val Pro
Asn Asp Gln Arg
Asn Asp Arg Gln
Asn Glu Asn Arg
Asn Glu Arg Asn
Asn Gly Arg Trp
Asn Gly Trp Arg
Asn His Val Tyr
Asn His Tyr Val
Asn Asn Glu Arg
Asn Asn Arg Glu
Asn Asn Val Trp
Asn Asn Trp Val
Asn Gln Asp Arg
Asn Gln Arg Asp
Asn Arg Asp Gln
Asn Arg Glu Asn
Asn Arg Gly Trp
Asn Arg Asn Glu
Asn Arg Gln Asp
Asn Arg Trp Gly
Asn Val His Tyr
Asn Val Asn Trp
Asn Val Trp Asn
Asn Val Tyr His
Asn Trp Gly Arg
Asn Trp Asn Val
Asn Trp Arg Gly
Asn Trp Val Asn
Asn Tyr His Val
Asn Tyr Val His
Pro Glu Met Arg
Pro Glu Arg Met
Pro Glu Thr Trp
Pro Glu Trp Thr
Pro Met Glu Arg
Pro Met Arg Glu
Pro Met Val Trp
Pro Met Trp Val
Pro Arg Glu Met
Pro Arg Met Glu
Pro Thr Glu Trp
Pro Thr Trp Glu
Pro Val Met Trp
Pro Val Trp Met
Pro Trp Glu Thr
Pro Trp Met Val
Pro Trp Thr Glu
Pro Trp Val Met
Gln Ala Gln Trp
Gln Ala Trp Gln
Gln Asp Asn Arg
Gln Asp Arg Asn
Gln Glu Lys Gln
Gln Glu Gln Lys
Gln Glu Gln Gln
C20H33N7O10 (531.2288798000001)
Gln Phe His Thr
Gln Phe Thr His
Gln His Phe Thr
Gln His Thr Phe
Gln Lys Glu Gln
Gln Lys Gln Glu
Gln Asn Asp Arg
Gln Asn Arg Asp
Gln Gln Ala Trp
Gln Gln Glu Lys
Gln Gln Glu Gln
C20H33N7O10 (531.2288798000001)
Gln Gln Lys Glu
Gln Gln Gln Glu
C20H33N7O10 (531.2288798000001)
Gln Gln Trp Ala
Gln Arg Asp Asn
Gln Arg Asn Asp
Gln Thr Phe His
Gln Thr His Phe
Gln Trp Ala Gln
Gln Trp Gln Ala
Arg Asp Glu Ile
Arg Asp Glu Leu
Arg Asp Ile Glu
Arg Asp Leu Glu
Arg Asp Asn Gln
Arg Asp Gln Asn
Arg Glu Asp Ile
Arg Glu Asp Leu
Arg Glu Glu Val
Arg Glu Ile Asp
Arg Glu Leu Asp
Arg Glu Met Pro
Arg Glu Asn Asn
Arg Glu Pro Met
Arg Glu Val Glu
Arg Gly His Tyr
Arg Gly Asn Trp
Arg Gly Trp Asn
Arg Gly Tyr His
Arg His Gly Tyr
Arg His Tyr Gly
Arg Ile Asp Glu
Arg Leu Asp Glu
Arg Leu Glu Asp
Arg Met Glu Pro
Arg Met Pro Glu
Arg Asn Asp Gln
Arg Asn Glu Asn
Arg Asn Gly Trp
Arg Asn Asn Glu
Arg Asn Gln Asp
Arg Asn Trp Gly
Arg Pro Glu Met
Arg Pro Met Glu
Arg Gln Asp Asn
Arg Gln Asn Asp
Arg Val Glu Glu
Arg Trp Gly Asn
Arg Trp Asn Gly
Arg Tyr Gly His
Arg Tyr His Gly
Thr Glu Pro Trp
Thr Glu Trp Pro
Thr Phe His Gln
Thr Phe Gln His
Thr His Phe Gln
Thr His Gln Phe
Thr Pro Glu Trp
Thr Pro Trp Glu
Thr Gln Phe His
Thr Gln His Phe
Thr Trp Glu Pro
Thr Trp Pro Glu
Val Asp Ile Trp
Val Asp Leu Trp
Val Asp Trp Ile
Val Asp Trp Leu
Val Glu Glu Arg
Val Glu Arg Glu
Val Glu Val Trp
Val Glu Trp Val
Val His Asn Tyr
Val His Tyr Asn
Val Ile Asp Trp
Val Ile Trp Asp
Val Leu Asp Trp
Val Leu Trp Asp
Val Met Pro Trp
Val Met Trp Pro
Val Asn His Tyr
Val Asn Asn Trp
Val Asn Trp Asn
Val Asn Tyr His
Val Pro Met Trp
Val Pro Trp Met
Val Val Glu Trp
Val Val Trp Glu
Val Trp Asp Ile
Val Trp Asp Leu
Val Trp Glu Val
Val Trp Ile Asp
Val Trp Leu Asp
Val Trp Met Pro
Val Trp Asn Asn
Val Trp Pro Met
Val Trp Val Glu
Val Tyr His Asn
Val Tyr Asn His
Trp Ala Gln Gln
Trp Asp Ile Val
Trp Asp Leu Val
Trp Asp Val Ile
Trp Asp Val Leu
Trp Glu Pro Thr
Trp Glu Thr Pro
Trp Glu Val Val
Trp Gly Asn Arg
Trp Gly Arg Asn
Trp Ile Asp Val
Trp Ile Val Asp
Trp Leu Asp Val
Trp Leu Val Asp
Trp Met Pro Val
Trp Met Val Pro
Trp Asn Gly Arg
Trp Asn Asn Val
Trp Asn Arg Gly
Trp Asn Val Asn
Trp Pro Glu Thr
Trp Pro Met Val
Trp Pro Thr Glu
Trp Pro Val Met
Trp Gln Ala Gln
Trp Gln Gln Ala
Trp Arg Gly Asn
Trp Arg Asn Gly
Trp Thr Glu Pro
Trp Thr Pro Glu
Trp Val Asp Ile
Trp Val Asp Leu
Trp Val Glu Val
Trp Val Ile Asp
Trp Val Leu Asp
Trp Val Met Pro
Trp Val Asn Asn
Trp Val Pro Met
Trp Val Val Glu
Tyr Gly His Arg
Tyr Gly Arg His
Tyr His Gly Arg
Tyr His Asn Val
Tyr His Arg Gly
Tyr His Val Asn
Tyr Asn His Val
Tyr Asn Val His
Tyr Arg Gly His
Tyr Arg His Gly
Tyr Val His Asn
Tyr Val Asn His
Petasinoside
TERT-BUTYL (5-(6-(BENZYLOXY)-5-(TRIFLUOROMETHYL)NAPHTHALEN-2-YL)-2,2-DIMETHYL-1,3-DIOXAN-5-YL)CARBAMATE
2-[4-(2-{2-cyclopentyl-5-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl}ethyl)-2-fluorophenyl]-2-methylpropanenitrile
1H-Indole-2-carboxylic acid, 1-((3,5-bis(2-methoxyethoxy)phenyl)methyl)-3-(4-(1,1-dimethylethyl)phenyl)-
5-Chloro-4-(1H-indol-3-yl)-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidin-2-amine
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)-
D065128 - Endothelin Receptor Antagonists
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
[(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
3alpha(S)-strictosidinium(1+)
Conjugate base of 3alpha(S)-strictosidine arising from protonation of the secondary amino group; major species at pH 7.3.
1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
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$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
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$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
C30H33N3O6 (531.2369238000001)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
C30H33N3O6 (531.2369238000001)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
3-(2-fluorophenyl)-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
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$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
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$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
3-(2-fluorophenyl)-1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
C27H34FN3O5S (531.2203086000001)
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
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 (531.2369238000001)
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 (531.2369238000001)
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 (531.2369238000001)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
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 (531.2369238000001)
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 (531.2369238000001)
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 (531.2369238000001)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
[(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
1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
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 (531.2369238000001)
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 (531.2369238000001)
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 (531.2369238000001)
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 (531.2369238000001)
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 (531.2369238000001)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
[(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
3-[[3-acetyloxy-2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
6-O-carbamoylkanamycin A(4+)
An organic cation obtained by protonation of the four amino groups of 6-O-carbamoylkanamycin A.
Thymotrinan (TFA)
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)
Zamifenacin fumarate (UK-76654 fumarate) is a potent gut-selective muscarinic M3 receptor antagonist. Zamifenacin significantly reduces colonic motility in irritable bowel syndrome[1].
(2s,3s,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (2r,3s)-2,3-dihydroxy-3-(3-methylbutyl)butanedioate
(2s,3s,6s,12r)-12-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (3s)-3-hydroxy-3-(3-methylbutyl)butanedioate
(2s,3s,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (2s,3r)-2,3-dihydroxy-3-(3-methylbutyl)butanedioate
(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
asterin a
{"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
{"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 (531.2216688000001)
(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 (531.2216688000001)
11-hydroxy-2-methoxy-14-{[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene}-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione
C29H33N5O5 (531.2481568000001)
(1s,3e,6r,7e,9s,11e,13r,14s,16r,17s,18r,19s)-19-benzyl-21-hydroxy-7,9,16,17-tetramethyl-2,5-dioxo-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-3,7,11,20-tetraen-6-yl acetate
3,7-dihydroxy-3-[({4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl}oxy)carbonyl]-7-methyloctanoic acid
(1r,11s,12s,13r,15s)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-yl 1-methyl (3r)-3-hydroxy-3-(3-methylbutyl)butanedioate
(2s,3s,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (3s)-3-hydroxy-3-(3-hydroxy-3-methylbutyl)butanedioate
(1s,3e,6r,7z,9s,11e,13r,14s,16r,17s,18r,19s)-19-benzyl-21-hydroxy-7,9,16,17-tetramethyl-2,5-dioxo-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-3,7,11,20-tetraen-6-yl acetate
(3r)-3,7-dihydroxy-3-({[(3s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl]oxy}carbonyl)-7-methyloctanoic acid
(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
(2s,3s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl (2s,3r)-2,3-dihydroxy-3-(3-methylbutyl)butanedioate
(1s,9r,14e)-11,15-dihydroxy-2-methoxy-14-{[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene}-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10,15-pentaen-12-one
C29H33N5O5 (531.2481568000001)
2-({3-[(2-{[1,3-dihydroxy-2-(1h-pyrrol-2-ylformamido)butylidene]amino}-1,3-dihydroxypropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)butanoic acid
(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
3-hydroxy-n-({[3-hydroxy-1-(4-hydroxyphenyl)-5-methoxy-5-oxopentan-2-yl]-c-hydroxycarbonimidoyl}methyl)-2-[(4-methoxyphenyl)formamido]butanimidic acid
C26H33N3O9 (531.2216688000001)