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CHEBI:127918 - 1-[(1S)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:127918
ChEBI Name1-[(1S)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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DownloadsMolfile
FormulaC25H28ClN3O3
Net Charge0
Average Mass453.970
Monoisotopic Mass453.18192
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C25H28ClN3O3/c1-16(31)29-15-25(13-28(14-25)11-17-4-6-18(26)7-5-17)23-20-9-8-19(32-3)10-21(20)27(2)24(23)22(29)12-30/h4-10,22,30H,11-15H2,1-3H3/t22-/m1/s1
InChIKeyKRDDKDDFMRKMHZ-JOCHJYFZSA-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)
1-[(1S)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:127918) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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