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CHEBI:129486 - [(1S)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1'-(4-methoxyphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:129486
ChEBI Name[(1S)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1'-(4-methoxyphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC30H33N3O6S
Net Charge0
Average Mass563.676
Monoisotopic Mass563.20901
SMILESCOc1ccc(S(=O)(=O)N2CC3(CN(Cc4ccccc4OC)[C@H](CO)c4nc5cc(OC)ccc5c43)C2)cc1
InChIInChI=1S/C30H33N3O6S/c1-37-21-8-11-23(12-9-21)40(35,36)33-18-30(19-33)17-32(15-20-6-4-5-7-27(20)39-3)26(16-34)29-28(30)24-13-10-22(38-2)14-25(24)31-29/h4-14,26,31,34H,15-19H2,1-3H3/t26-/m1/s1
InChIKeySDGCQQLHBMCMJM-AREMUKBSSA-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)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1'-(4-methoxyphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:129486) is a harmala alkaloid (CHEBI:61379)
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