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CHEBI:124976 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-pyridin-4-ylethanone

ChEBI IDCHEBI:124976
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-pyridin-4-ylethanone
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DownloadsMolfile
FormulaC31H35N5O3
Net Charge0
Average Mass525.653
Monoisotopic Mass525.27399
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C31H35N5O3/c1-34-26-18-24(39-2)3-4-25(26)29-30(34)27(20-37)36(19-23-7-13-33-14-8-23)21-31(29)9-15-35(16-10-31)28(38)17-22-5-11-32-12-6-22/h3-8,11-14,18,27,37H,9-10,15-17,19-21H2,1-2H3/t27-/m0/s1
InChIKeyBTLNYNFZCBPODF-MHZLTWQESA-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)
1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-pyridin-4-ylethanone (CHEBI:124976) is a harmala alkaloid (CHEBI:61379)
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