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CHEBI:124972 - (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(1-oxo-2-pyridin-4-ylethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:124972
ChEBI Name(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(1-oxo-2-pyridin-4-ylethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC31H32FN5O4
Net Charge0
Average Mass557.626
Monoisotopic Mass557.24383
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C31H32FN5O4/c1-41-23-6-7-24-25(17-23)35-29-26(18-38)37(30(40)34-22-4-2-21(32)3-5-22)19-31(28(24)29)10-14-36(15-11-31)27(39)16-20-8-12-33-13-9-20/h2-9,12-13,17,26,35,38H,10-11,14-16,18-19H2,1H3,(H,34,40)/t26-/m0/s1
InChIKeyHGIIRBPWYAQQMQ-SANMLTNESA-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-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(1-oxo-2-pyridin-4-ylethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:124972) is a harmala alkaloid (CHEBI:61379)
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