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CHEBI:129572 - [(1R)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:129572
ChEBI Name[(1R)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC23H26ClN3O4S
Net Charge0
Average Mass475.998
Monoisotopic Mass475.13325
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(S(C)(=O)=O)C1
InChIInChI=1S/C23H26ClN3O4S/c1-31-17-7-8-18-19(9-17)25-22-20(11-28)26(10-15-3-5-16(24)6-4-15)12-23(21(18)22)13-27(14-23)32(2,29)30/h3-9,20,25,28H,10-14H2,1-2H3/t20-/m0/s1
InChIKeyBKEQBVYQSWYCAQ-FQEVSTJZSA-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-[(4-chlorophenyl)methyl]-7-methoxy-1'-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:129572) is a harmala alkaloid (CHEBI:61379)
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