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CHEBI:126597 - [(1R)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-fluorophenyl)methanone

ChEBI IDCHEBI:126597
ChEBI Name[(1R)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-fluorophenyl)methanone
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DownloadsMolfile
FormulaC26H28FN3O3
Net Charge0
Average Mass449.526
Monoisotopic Mass449.21147
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C26H28FN3O3/c1-33-19-8-9-20-21(10-19)28-24-22(12-31)29(11-16-2-3-16)13-26(23(20)24)14-30(15-26)25(32)17-4-6-18(27)7-5-17/h4-10,16,22,28,31H,2-3,11-15H2,1H3/t22-/m0/s1
InChIKeyMXMKKVOZZZVICE-QFIPXVFZSA-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)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-fluorophenyl)methanone (CHEBI:126597) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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