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CHEBI:128543 - (1S)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1'-phenylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide

ChEBI IDCHEBI:128543
ChEBI Name(1S)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1'-phenylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide
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DownloadsMolfile
FormulaC29H28FN5O4
Net Charge0
Average Mass529.572
Monoisotopic Mass529.21253
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C29H28FN5O4/c1-39-21-11-12-22-23(13-21)33-26-24(14-36)35(28(38)32-20-9-7-18(30)8-10-20)17-29(25(22)26)15-34(16-29)27(37)31-19-5-3-2-4-6-19/h2-13,24,33,36H,14-17H2,1H3,(H,31,37)(H,32,38)/t24-/m1/s1
InChIKeyXRKPXLPYEZNIPA-XMMPIXPASA-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)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1'-phenylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide (CHEBI:128543) is a harmala alkaloid (CHEBI:61379)
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