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CHEBI:128073 - (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:128073
ChEBI Name(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC29H29FN4O3
Net Charge0
Average Mass500.574
Monoisotopic Mass500.22237
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C29H29FN4O3/c1-37-22-10-11-23-24(13-22)32-27-25(15-35)33(14-19-6-3-2-4-7-19)16-29(26(23)27)17-34(18-29)28(36)31-21-9-5-8-20(30)12-21/h2-13,25,32,35H,14-18H2,1H3,(H,31,36)/t25-/m1/s1
InChIKeyUAWCDJXFBGAITD-RUZDIDTESA-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-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128073) is a harmala alkaloid (CHEBI:61379)
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