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CHEBI:130166 - (1S)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:130166
ChEBI Name(1S)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC29H36N4O3
Net Charge0
Average Mass488.632
Monoisotopic Mass488.27874
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCC1)CC31CN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C29H36N4O3/c1-31-24-14-22(36-2)12-13-23(24)26-27(31)25(16-34)32(15-20-8-6-7-9-20)17-29(26)18-33(19-29)28(35)30-21-10-4-3-5-11-21/h3-5,10-14,20,25,34H,6-9,15-19H2,1-2H3,(H,30,35)/t25-/m1/s1
InChIKeyKBIWILBYYQSWIL-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)
(1S)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130166) is a harmala alkaloid (CHEBI:61379)
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