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CHEBI:128375 - [(1S)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone

ChEBI IDCHEBI:128375
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
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FormulaC23H31N3O4
Net Charge0
Average Mass413.518
Monoisotopic Mass413.23146
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)NCC31CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C23H31N3O4/c1-29-16-2-3-17-18(12-16)25-21-19(13-27)24-14-23(20(17)21)6-8-26(9-7-23)22(28)15-4-10-30-11-5-15/h2-3,12,15,19,24-25,27H,4-11,13-14H2,1H3/t19-/m1/s1
InChIKeyQCPCXFRNGVFKGK-LJQANCHMSA-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-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone (CHEBI:128375) is a harmala alkaloid (CHEBI:61379)
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LSM-39930LINCS