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CHEBI:129960 - cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:129960
ChEBI Namecyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
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DownloadsMolfile
FormulaC28H32FN3O3
Net Charge0
Average Mass477.580
Monoisotopic Mass477.24277
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C28H32FN3O3/c1-35-20-8-9-21-23(14-20)30-26-24(16-33)32(15-19-4-2-3-5-22(19)29)17-28(25(21)26)10-12-31(13-11-28)27(34)18-6-7-18/h2-5,8-9,14,18,24,30,33H,6-7,10-13,15-17H2,1H3/t24-/m1/s1
InChIKeyNMQVXTLAAJECCC-XMMPIXPASA-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)
cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:129960) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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