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CHEBI:129811 - [(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-phenylmethanone

ChEBI IDCHEBI:129811
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-phenylmethanone
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DownloadsMolfile
FormulaC25H29N3O3
Net Charge0
Average Mass419.525
Monoisotopic Mass419.22089
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O3/c1-27-21-14-18(31-2)8-9-19(21)22-23(27)20(15-29)26-16-25(22)10-12-28(13-11-25)24(30)17-6-4-3-5-7-17/h3-9,14,20,26,29H,10-13,15-16H2,1-2H3/t20-/m1/s1
InChIKeyMLHWRJKJDKOQQL-HXUWFJFHSA-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-9-methyl-1'-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-phenylmethanone (CHEBI:129811) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41362LINCS