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CHEBI:129128 - [(1S)-1-(hydroxymethyl)-7-methoxy-2-(2-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(2-pyridinyl)methanone

ChEBI IDCHEBI:129128
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-2-(2-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(2-pyridinyl)methanone
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DownloadsMolfile
FormulaC29H31N5O3
Net Charge0
Average Mass497.599
Monoisotopic Mass497.24269
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccccn1)CC31CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C29H31N5O3/c1-37-21-8-9-22-24(16-21)32-27-25(18-35)34(17-20-6-2-4-12-30-20)19-29(26(22)27)10-14-33(15-11-29)28(36)23-7-3-5-13-31-23/h2-9,12-13,16,25,32,35H,10-11,14-15,17-19H2,1H3/t25-/m1/s1
InChIKeyNEIMUKFKPQFHGR-RUZDIDTESA-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-2-(2-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(2-pyridinyl)methanone (CHEBI:129128) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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