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CHEBI:129881 - (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:129881
ChEBI Name(1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC33H41N5O6
Net Charge0
Average Mass603.720
Monoisotopic Mass603.30568
SMILESCOc1cc(CN2CC3(CCN(C(=O)Nc4c(C)noc4C)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1
InChIInChI=1S/C33H41N5O6/c1-20-30(21(2)44-35-20)34-32(40)37-11-9-33(10-12-37)19-38(17-22-13-24(42-5)15-25(14-22)43-6)28(18-39)31-29(33)26-8-7-23(41-4)16-27(26)36(31)3/h7-8,13-16,28,39H,9-12,17-19H2,1-6H3,(H,34,40)/t28-/m1/s1
InChIKeyAXFMTINWSJJMCX-MUUNZHRXSA-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)
(1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:129881) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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