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CHEBI:129715 - (1S)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:129715
ChEBI Name(1S)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC26H30N4O5
Net Charge0
Average Mass478.549
Monoisotopic Mass478.22162
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C26H30N4O5/c1-29-20-12-17(33-2)4-5-18(20)23-24(29)19(13-31)27-14-26(23)7-9-30(10-8-26)25(32)28-16-3-6-21-22(11-16)35-15-34-21/h3-6,11-12,19,27,31H,7-10,13-15H2,1-2H3,(H,28,32)/t19-/m1/s1
InChIKeyZIEYCLUBOHDATC-LJQANCHMSA-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)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:129715) is a harmala alkaloid (CHEBI:61379)
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