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CHEBI:126609 - (1S)-1'-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:126609
ChEBI Name(1S)-1'-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC28H33FN4O4
Net Charge0
Average Mass508.594
Monoisotopic Mass508.24858
SMILESCCCNC(=O)N1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2c(nc3cc(OC)ccc23)[C@H]1CO
InChIInChI=1S/C28H33FN4O4/c1-3-11-30-27(36)33-17-28(9-12-32(13-10-28)26(35)18-5-4-6-19(29)14-18)24-21-8-7-20(37-2)15-22(21)31-25(24)23(33)16-34/h4-8,14-15,23,31,34H,3,9-13,16-17H2,1-2H3,(H,30,36)/t23-/m1/s1
InChIKeyAMRZZRHTSOWILQ-HSZRJFAPSA-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)-1'-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:126609) is a harmala alkaloid (CHEBI:61379)
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