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CHEBI:126516 - (2-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:126516
ChEBI Name(2-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC26H30FN3O3
Net Charge0
Average Mass451.542
Monoisotopic Mass451.22712
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C26H30FN3O3/c1-28-16-26(10-12-30(13-11-26)25(32)18-6-4-5-7-20(18)27)23-19-9-8-17(33-3)14-21(19)29(2)24(23)22(28)15-31/h4-9,14,22,31H,10-13,15-16H2,1-3H3/t22-/m0/s1
InChIKeyAPFPSBMNLBSISN-QFIPXVFZSA-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)
(2-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:126516) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38080LINCS