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CHEBI:130417 - cyclobutyl-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:130417
ChEBI Namecyclobutyl-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
Stars
DownloadsMolfile
FormulaC27H29F2N3O3
Net Charge0
Average Mass481.543
Monoisotopic Mass481.21770
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)C2CCC2)C1
InChIInChI=1S/C27H29F2N3O3/c1-35-19-6-7-20-22(10-19)30-25-23(12-33)31(11-17-9-18(28)5-8-21(17)29)13-27(24(20)25)14-32(15-27)26(34)16-3-2-4-16/h5-10,16,23,30,33H,2-4,11-15H2,1H3/t23-/m0/s1
InChIKeyKWQYOPXXHRJLFX-QHCPKHFHSA-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)
cyclobutyl-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:130417) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41966LINCS