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CHEBI:130083 - [(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone

ChEBI IDCHEBI:130083
ChEBI Name[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
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DownloadsMolfile
FormulaC31H38FN3O4
Net Charge0
Average Mass535.660
Monoisotopic Mass535.28463
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C31H38FN3O4/c1-33-26-17-23(38-2)7-8-24(26)28-29(33)27(19-36)35(18-22-5-3-4-6-25(22)32)20-31(28)11-13-34(14-12-31)30(37)21-9-15-39-16-10-21/h3-8,17,21,27,36H,9-16,18-20H2,1-2H3/t27-/m1/s1
InChIKeyGGVQAARRTIEONC-HHHXNRCGSA-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)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone (CHEBI:130083) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41633LINCS