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CHEBI:127902 - (1R)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:127902
ChEBI Name(1R)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC25H28N4O5
Net Charge0
Average Mass464.522
Monoisotopic Mass464.20597
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C25H28N4O5/c1-32-16-3-4-17-18(11-16)28-23-19(12-30)26-13-25(22(17)23)6-8-29(9-7-25)24(31)27-15-2-5-20-21(10-15)34-14-33-20/h2-5,10-11,19,26,28,30H,6-9,12-14H2,1H3,(H,27,31)/t19-/m0/s1
InChIKeyIUQIOIBSWYWGDC-IBGZPJMESA-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)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:127902) is a harmala alkaloid (CHEBI:61379)
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