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CHEBI:127486 - (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:127486
ChEBI Name(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC32H30FN5O4
Net Charge0
Average Mass567.621
Monoisotopic Mass567.22818
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C32H30FN5O4/c1-41-24-11-12-25-26(14-24)35-30-27(16-39)38(31(40)34-22-9-7-21(33)8-10-22)19-32(29(25)30)17-37(18-32)15-23-13-28(42-36-23)20-5-3-2-4-6-20/h2-14,27,35,39H,15-19H2,1H3,(H,34,40)/t27-/m0/s1
InChIKeyYZVPRKUXZVQLBH-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)
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:127486) is a harmala alkaloid (CHEBI:61379)
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