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CHEBI:127553 - [(1S)-1'-(cyclopropylmethyl)-2-[(2-fluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:127553
ChEBI Name[(1S)-1'-(cyclopropylmethyl)-2-[(2-fluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC28H34FN3O2
Net Charge0
Average Mass463.597
Monoisotopic Mass463.26351
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(CC2CC2)CC1
InChIInChI=1S/C28H34FN3O2/c1-34-21-8-9-22-24(14-21)30-27-25(17-33)32(16-20-4-2-3-5-23(20)29)18-28(26(22)27)10-12-31(13-11-28)15-19-6-7-19/h2-5,8-9,14,19,25,30,33H,6-7,10-13,15-18H2,1H3/t25-/m1/s1
InChIKeyFLRSNSGRCBBTLF-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'-(cyclopropylmethyl)-2-[(2-fluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:127553) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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