Exact Mass: 557.2227256000001
Exact Mass Matches: 557.2227256000001
Found 395 metabolites which its exact mass value is equals to given mass value 557.2227256000001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Azidopine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
Rhodomycin D
An anthracycline that is aklavinone having a 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl residue attached at position 4 via a glycosidic linkage.
(R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide
C30H32ClN7O2 (557.2305881999999)
Acrimarine N
Acrimarine N is found in citrus. Acrimarine N is an alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisi) x Dancy tangerine (Citrus tangerina)]. Alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisi) x Dancy tangerine (Citrus tangerina)]. Acrimarine N is found in citrus.
ceritinib
C28H36ClN5O3S (557.2227256000001)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01ED - Anaplastic lymphoma kinase (alk) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Dmg-mino
Scutebarbatine B
C30H39NO9_Pentanedioic acid, 2-[(2R,2R,6S,8aS)-6-(acetyloxy)-3,4,4a,5,6,6,7,8,8,8a-decahydro-4-hydroxy-2,5,5,8a-tetramethyl-6-oxospiro[2H-furo[2,3-e]isoindole-2,1(2H)-naphthalen]-7(3H)-yl]-, (2S)
Cys Cys Phe Trp
Cys Cys Trp Phe
Cys Phe Cys Trp
Cys Phe Trp Cys
Cys His Ile Trp
Cys His Leu Trp
Cys His Trp Ile
Cys His Trp Leu
Cys Ile His Trp
Cys Ile Trp His
Cys Leu His Trp
Cys Leu Trp His
Cys Ser Trp Tyr
Cys Ser Tyr Trp
Cys Trp Cys Phe
Cys Trp Phe Cys
Cys Trp His Ile
Cys Trp His Leu
Cys Trp Ile His
Cys Trp Leu His
Cys Trp Ser Tyr
Cys Trp Tyr Ser
Cys Tyr Ser Trp
Cys Tyr Trp Ser
Asp Phe Asn Tyr
Asp Phe Tyr Asn
Asp His Met Arg
Asp His Arg Met
Asp His Thr Trp
Asp His Trp Thr
Asp Met His Arg
Asp Met Arg His
Asp Asn Phe Tyr
Asp Asn Tyr Phe
Asp Arg His Met
Asp Arg Met His
Asp Thr His Trp
Asp Thr Trp His
Asp Trp His Thr
Asp Trp Thr His
Asp Tyr Phe Asn
Asp Tyr Asn Phe
Glu His Ser Trp
Glu His Trp Ser
Glu Ser His Trp
Glu Ser Trp His
Glu Trp His Ser
Glu Trp Ser His
Phe Cys Cys Trp
Phe Cys Trp Cys
Phe Asp Asn Tyr
Phe Asp Tyr Asn
Phe Phe Met Asn
C27H35N5O6S (557.2307930000001)
Phe Phe Asn Met
C27H35N5O6S (557.2307930000001)
Phe Met Phe Asn
C27H35N5O6S (557.2307930000001)
Phe Met Asn Phe
C27H35N5O6S (557.2307930000001)
Phe Asn Asp Tyr
Phe Asn Phe Met
C27H35N5O6S (557.2307930000001)
Phe Asn Met Phe
C27H35N5O6S (557.2307930000001)
Phe Asn Tyr Asp
Phe Gln Thr Tyr
Phe Gln Tyr Thr
Phe Thr Gln Tyr
Phe Thr Tyr Gln
Phe Trp Cys Cys
Phe Tyr Asp Asn
Phe Tyr Asn Asp
Phe Tyr Gln Thr
Phe Tyr Thr Gln
Gly Arg Tyr Tyr
C26H35N7O7 (557.2597840000001)
Gly Tyr Arg Tyr
C26H35N7O7 (557.2597840000001)
Gly Tyr Tyr Arg
C26H35N7O7 (557.2597840000001)
His Cys Ile Trp
His Cys Leu Trp
His Cys Trp Ile
His Cys Trp Leu
His Asp Met Arg
His Asp Arg Met
His Asp Thr Trp
His Asp Trp Thr
His Glu Ser Trp
His Glu Trp Ser
His His His Gln
His His Gln His
His Ile Cys Trp
His Ile Trp Cys
His Leu Cys Trp
His Leu Trp Cys
His Met Asp Arg
His Met Arg Asp
His Gln His His
His Arg Asp Met
His Arg Met Asp
His Ser Glu Trp
His Ser Trp Glu
His Thr Asp Trp
His Thr Trp Asp
His Trp Cys Ile
His Trp Cys Leu
His Trp Asp Thr
His Trp Glu Ser
His Trp Ile Cys
His Trp Leu Cys
His Trp Ser Glu
His Trp Thr Asp
Ile Cys His Trp
Ile Cys Trp His
Ile His Cys Trp
Ile His Trp Cys
Ile Trp Cys His
Ile Trp His Cys
Leu Cys His Trp
Leu Cys Trp His
Leu His Cys Trp
Leu His Trp Cys
Leu Trp Cys His
Leu Trp His Cys
Met Asp His Arg
Met Asp Arg His
Met Phe Phe Asn
C27H35N5O6S (557.2307930000001)
Met Phe Asn Phe
C27H35N5O6S (557.2307930000001)
Met His Asp Arg
Met His Arg Asp
Met Met Asn Tyr
C23H35N5O7S2 (557.1977800000001)
Met Met Tyr Asn
C23H35N5O7S2 (557.1977800000001)
Met Asn Phe Phe
C27H35N5O6S (557.2307930000001)
Met Asn Met Tyr
C23H35N5O7S2 (557.1977800000001)
Met Asn Tyr Met
C23H35N5O7S2 (557.1977800000001)
Met Arg Asp His
Met Arg His Asp
Met Tyr Met Asn
C23H35N5O7S2 (557.1977800000001)
Met Tyr Asn Met
C23H35N5O7S2 (557.1977800000001)
Asn Asp Phe Tyr
Asn Asp Tyr Phe
Asn Phe Asp Tyr
Asn Phe Phe Met
C27H35N5O6S (557.2307930000001)
Asn Phe Met Phe
C27H35N5O6S (557.2307930000001)
Asn Phe Tyr Asp
Asn Met Phe Phe
C27H35N5O6S (557.2307930000001)
Asn Met Met Tyr
C23H35N5O7S2 (557.1977800000001)
Asn Met Tyr Met
C23H35N5O7S2 (557.1977800000001)
Asn Val Tyr Tyr
Asn Tyr Asp Phe
Asn Tyr Phe Asp
Asn Tyr Met Met
C23H35N5O7S2 (557.1977800000001)
Asn Tyr Val Tyr
Asn Tyr Tyr Val
Pro Gln Gln Trp
C26H35N7O7 (557.2597840000001)
Pro Gln Trp Gln
C26H35N7O7 (557.2597840000001)
Pro Trp Gln Gln
C26H35N7O7 (557.2597840000001)
Gln Phe Thr Tyr
Gln Phe Tyr Thr
Gln His His His
Gln Pro Gln Trp
C26H35N7O7 (557.2597840000001)
Gln Pro Trp Gln
C26H35N7O7 (557.2597840000001)
Gln Gln Pro Trp
C26H35N7O7 (557.2597840000001)
Gln Gln Trp Pro
C26H35N7O7 (557.2597840000001)
Gln Thr Phe Tyr
Gln Thr Tyr Phe
Gln Trp Pro Gln
C26H35N7O7 (557.2597840000001)
Gln Trp Gln Pro
C26H35N7O7 (557.2597840000001)
Gln Tyr Phe Thr
Gln Tyr Thr Phe
Arg Asp His Met
Arg Asp Met His
Arg Gly Tyr Tyr
C26H35N7O7 (557.2597840000001)
Arg His Asp Met
Arg His Met Asp
Arg Met Asp His
Arg Met His Asp
Arg Tyr Gly Tyr
C26H35N7O7 (557.2597840000001)
Arg Tyr Tyr Gly
C26H35N7O7 (557.2597840000001)
Ser Cys Trp Tyr
Ser Cys Tyr Trp
Ser Glu His Trp
Ser Glu Trp His
Ser His Glu Trp
Ser His Trp Glu
Ser Trp Cys Tyr
Ser Trp Glu His
Ser Trp His Glu
Ser Trp Tyr Cys
Ser Tyr Cys Trp
Ser Tyr Trp Cys
Thr Asp His Trp
Thr Asp Trp His
Thr Phe Gln Tyr
Thr Phe Tyr Gln
Thr His Asp Trp
Thr His Trp Asp
Thr Gln Phe Tyr
Thr Gln Tyr Phe
Thr Trp Asp His
Thr Trp His Asp
Thr Tyr Phe Gln
Thr Tyr Gln Phe
Val Asn Tyr Tyr
Val Tyr Asn Tyr
Val Tyr Tyr Asn
Trp Cys Cys Phe
Trp Cys Phe Cys
Trp Cys His Ile
Trp Cys His Leu
Trp Cys Ile His
Trp Cys Leu His
Trp Cys Ser Tyr
Trp Cys Tyr Ser
Trp Asp His Thr
Trp Asp Thr His
Trp Glu His Ser
Trp Glu Ser His
Trp Phe Cys Cys
Trp His Cys Ile
Trp His Cys Leu
Trp His Asp Thr
Trp His Glu Ser
Trp His Ile Cys
Trp His Leu Cys
Trp His Ser Glu
Trp His Thr Asp
Trp Ile Cys His
Trp Ile His Cys
Trp Leu Cys His
Trp Leu His Cys
Trp Pro Gln Gln
C26H35N7O7 (557.2597840000001)
Trp Gln Pro Gln
C26H35N7O7 (557.2597840000001)
Trp Gln Gln Pro
C26H35N7O7 (557.2597840000001)
Trp Ser Cys Tyr
Trp Ser Glu His
Trp Ser His Glu
Trp Ser Tyr Cys
Trp Thr Asp His
Trp Thr His Asp
Trp Tyr Cys Ser
Trp Tyr Ser Cys
Tyr Cys Ser Trp
Tyr Cys Trp Ser
Tyr Asp Phe Asn
Tyr Asp Asn Phe
Tyr Phe Asp Asn
Tyr Phe Asn Asp
Tyr Phe Gln Thr
Tyr Phe Thr Gln
Tyr Gly Arg Tyr
C26H35N7O7 (557.2597840000001)
Tyr Gly Tyr Arg
C26H35N7O7 (557.2597840000001)
Tyr Met Met Asn
C23H35N5O7S2 (557.1977800000001)
Tyr Met Asn Met
C23H35N5O7S2 (557.1977800000001)
Tyr Asn Asp Phe
Tyr Asn Phe Asp
Tyr Asn Met Met
C23H35N5O7S2 (557.1977800000001)
Tyr Asn Val Tyr
Tyr Asn Tyr Val
Tyr Gln Phe Thr
Tyr Gln Thr Phe
Tyr Arg Gly Tyr
C26H35N7O7 (557.2597840000001)
Tyr Arg Tyr Gly
C26H35N7O7 (557.2597840000001)
Tyr Ser Cys Trp
Tyr Ser Trp Cys
Tyr Thr Phe Gln
Tyr Thr Gln Phe
Tyr Val Asn Tyr
Tyr Val Tyr Asn
Tyr Trp Cys Ser
Tyr Trp Ser Cys
Tyr Tyr Gly Arg
C26H35N7O7 (557.2597840000001)
Tyr Tyr Asn Val
Tyr Tyr Arg Gly
C26H35N7O7 (557.2597840000001)
Tyr Tyr Val Asn
Acrimarine N
Bitolterol mesylate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents
4-Chloro-3-(3-oxo-3-phenyl-propionylamino)-benzoic acid, 1-dodecyloxycarbonyl-ethyl ester
C31H40ClNO6 (557.2544010000001)
2,3,4,6-tetra-o-pivaloyl-beta-d-galactopyranosyl isothiocyanate
C27H43NO9S (557.2658388000001)
[1,1-Biphenyl]-4-carboxaldehyde,4-[bis(4-formyl[1,1-biphenyl]-4-yl)amino]-
Aristoloterpenate-I
A sesquiterpenoid obtained by formal condensation of the carboxy group of aristolochic acid with the hydroxy group of (1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-ol.
ceritinib
C28H36ClN5O3S (557.2227256000001)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01ED - Anaplastic lymphoma kinase (alk) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Pixantrone maleate
C25H27N5O10 (557.1757842000001)
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors
(2R,4S)-4-[(2R,4S,5S,6S)-4-azaniumyl-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
(2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
Atorvastatin(1-)
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors D009676 - Noxae > D000963 - Antimetabolites
3-(2,4-dimethoxyphenyl)-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide
(1R,2R,4S)-4-[(3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
N-(2-{3,4-bis[(4-methylbenzoyl)oxy]phenyl}-2-hydroxyethyl)-2-methylpropan-2-aminium mesylate
N-[[(2S,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide
N-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide
4-[(4S,5R)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
4-fluoro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
4-fluoro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
N-[[(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide
4-[(4R,5S)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
4-[(4R,5S)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
4-[(4S,5R)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
N-[[(2S,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide
N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide
N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
4-[(4S,5S)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
4-[(4R,5R)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
N-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide
N-[[(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide
N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
4-[(4R,5R)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
4-[(4S,5S)-5-[[[cyclobutyl(oxo)methyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
4-fluoro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-2-phenylethenyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
4-fluoro-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
4-fluoro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
4-fluoro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
4-fluoro-N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylbenzamide
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(1-oxo-2-pyridin-4-ylethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
10-Carboxy-13-deoxydaunorubicin
An anthracycline antibiotic that is 13-deoxydaunorubicin substituted at position 10 by a carboxy group.
N-[(2R)-2-{3,4-bis[(4-methylbenzoyl)oxy]phenyl}-2-hydroxyethyl]-2-methylpropan-2-aminium methanesulfonate
5-aminopentyl beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->3)-alpha-L-rhamnopyranoside
3-[[3-acetyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
Azidopine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
10-carboxy-13-deoxydaunorubicin zwitterion
A zwitterion obtained by transfer of a proton from the carboxy to the primary amino group of 10-carboxy-13-deoxydaunorubicin; major species at pH 7.3.
5,7,18-trihydroxy-6,10,16-trimethoxy-12-(methoxymethyl)-14-azapentacyclo[10.3.3.1²,⁵.0¹,¹¹.0³,⁸]nonadeca-8,14-dien-4-yl benzoate
acrimarine a; 3-me ether
{"Ingredient_id": "HBIN014610","Ingredient_name": "acrimarine a; 3-me ether","Alias": "NA","Ingredient_formula": "C32H31NO8","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7176","PubChem_id": "NA","DrugBank_id": "NA"}
aristoloterpenate i; 2'e-isomer
{"Ingredient_id": "HBIN016833","Ingredient_name": "aristoloterpenate i; 2'e-isomer","Alias": "NA","Ingredient_formula": "C32H31NO8","Ingredient_Smile": "NA","Ingredient_weight": "557.59","OB_score": "NA","CAS_id": "222412-32-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6649","PubChem_id": "NA","DrugBank_id": "NA"}
aristoloterpenate iii
{"Ingredient_id": "HBIN016836","Ingredient_name": "aristoloterpenate iii","Alias": "NA","Ingredient_formula": "C32H31NO8","Ingredient_Smile": "CC1=CCCC(=CC(CC(=CCC1)C)OC(=O)C2=CC3=C(C4=C5C=CC=C(C5=CC(=C24)[N+](=O)[O-])OC)OCO3)C=O","Ingredient_weight": "557.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1727","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10507017","DrugBank_id": "NA"}
aristophyllide a
{"Ingredient_id": "HBIN016838","Ingredient_name": "aristophyllide a","Alias": "NA","Ingredient_formula": "C32H31NO8","Ingredient_Smile": "CC(CC1=CCCC(C1C(=C)C=O)(C)C=C)OC(=O)C2=CC3=C(C4=C5C=CC=C(C5=CC(=C24)[N+](=O)[O-])OC)OCO3","Ingredient_weight": "557.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1729","TCMSP_id": "NA","TCM_ID_id": "6646","PubChem_id": "10840539","DrugBank_id": "NA"}
aristophyllide a; 5',12'-diepimer
{"Ingredient_id": "HBIN016839","Ingredient_name": "aristophyllide a; 5',12'-diepimer","Alias": "NA","Ingredient_formula": "C32H31NO8","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6645","PubChem_id": "NA","DrugBank_id": "NA"}