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CHEBI:128987 - (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(1-oxobutyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:128987
ChEBI Name(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(1-oxobutyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
Stars
DownloadsMolfile
FormulaC27H31FN4O4
Net Charge0
Average Mass494.567
Monoisotopic Mass494.23293
SMILESCCCC(=O)N1CC2(C1)CN(C(=O)Nc1cccc(F)c1)[C@H](CO)c1c2c2ccc(OC)cc2n1C
InChIInChI=1S/C27H31FN4O4/c1-4-6-23(34)31-14-27(15-31)16-32(26(35)29-18-8-5-7-17(28)11-18)22(13-33)25-24(27)20-10-9-19(36-3)12-21(20)30(25)2/h5,7-12,22,33H,4,6,13-16H2,1-3H3,(H,29,35)/t22-/m1/s1
InChIKeyUUOQJBGZVSDHFR-JOCHJYFZSA-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-9-methyl-1'-(1-oxobutyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128987) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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