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CHEBI:130960 - [(1R)-7-methoxy-1'-(4-oxanylmethyl)-2-(pyridin-4-ylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:130960
ChEBI Name[(1R)-7-methoxy-1'-(4-oxanylmethyl)-2-(pyridin-4-ylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC29H38N4O3
Net Charge0
Average Mass490.648
Monoisotopic Mass490.29439
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(CC2CCOCC2)CC1
InChIInChI=1S/C29H38N4O3/c1-35-23-2-3-24-25(16-23)31-28-26(19-34)33(18-21-4-10-30-11-5-21)20-29(27(24)28)8-12-32(13-9-29)17-22-6-14-36-15-7-22/h2-5,10-11,16,22,26,31,34H,6-9,12-15,17-20H2,1H3/t26-/m0/s1
InChIKeyXJDQGQDSIVACGX-SANMLTNESA-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)
[(1R)-7-methoxy-1'-(4-oxanylmethyl)-2-(pyridin-4-ylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:130960) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42508LINCS