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CHEBI:128347 - cyclopropyl-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:128347
ChEBI Namecyclopropyl-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
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DownloadsMolfile
FormulaC27H29F2N3O3
Net Charge0
Average Mass481.543
Monoisotopic Mass481.21770
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)C2CC2)C1
InChIInChI=1S/C27H29F2N3O3/c1-30-22-10-19(35-2)6-7-20(22)24-25(30)23(12-33)31(11-17-9-18(28)5-8-21(17)29)13-27(24)14-32(15-27)26(34)16-3-4-16/h5-10,16,23,33H,3-4,11-15H2,1-2H3/t23-/m1/s1
InChIKeyVBBNZRJPYJBSEQ-HSZRJFAPSA-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-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:128347) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39902LINCS