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CHEBI:127086 - (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:127086
ChEBI Name(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC28H33FN4O4
Net Charge0
Average Mass508.594
Monoisotopic Mass508.24858
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(CC2CCOCC2)C1
InChIInChI=1S/C28H33FN4O4/c1-36-21-6-7-22-23(12-21)31-26-24(14-34)33(27(35)30-20-4-2-19(29)3-5-20)17-28(25(22)26)15-32(16-28)13-18-8-10-37-11-9-18/h2-7,12,18,24,31,34H,8-11,13-17H2,1H3,(H,30,35)/t24-/m0/s1
InChIKeyJSRNYIMBTMGRPM-DEOSSOPVSA-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'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:127086) is a harmala alkaloid (CHEBI:61379)
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