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CHEBI:130207 - (1R)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:130207
ChEBI Name(1R)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
Stars
DownloadsMolfile
FormulaC30H35N5O6
Net Charge0
Average Mass561.639
Monoisotopic Mass561.25873
SMILESCOc1cc(CN2CC3(CN(C(=O)Nc4c(C)noc4C)C3)c3c(nc4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1
InChIInChI=1S/C30H35N5O6/c1-17-27(18(2)41-33-17)32-29(37)35-15-30(16-35)14-34(12-19-8-21(39-4)10-22(9-19)40-5)25(13-36)28-26(30)23-7-6-20(38-3)11-24(23)31-28/h6-11,25,31,36H,12-16H2,1-5H3,(H,32,37)/t25-/m0/s1
InChIKeyJYXKBTOWIVBRMW-VWLOTQADSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1R)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130207) is a harmala alkaloid (CHEBI:61379)
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LSM-41756LINCS