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CHEBI:128544 - cyclohexyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:128544
ChEBI Namecyclohexyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
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DownloadsMolfile
FormulaC29H36N4O3
Net Charge0
Average Mass488.632
Monoisotopic Mass488.27874
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C29H36N4O3/c1-31-24-14-22(36-2)8-9-23(24)26-27(31)25(16-34)32(15-20-10-12-30-13-11-20)17-29(26)18-33(19-29)28(35)21-6-4-3-5-7-21/h8-14,21,25,34H,3-7,15-19H2,1-2H3/t25-/m1/s1
InChIKeyWMEDZRPLZKJLHD-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)
cyclohexyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:128544) is a harmala alkaloid (CHEBI:61379)
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