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CHEBI:129957 - [(1S)-7-methoxy-1'-[(3-methoxyphenyl)methyl]-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:129957
ChEBI Name[(1S)-7-methoxy-1'-[(3-methoxyphenyl)methyl]-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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FormulaC24H29N3O5S
Net Charge0
Average Mass471.579
Monoisotopic Mass471.18279
SMILESCOc1cccc(CN2CC3(C2)CN(S(C)(=O)=O)[C@H](CO)c2nc4cc(OC)ccc4c23)c1
InChIInChI=1S/C24H29N3O5S/c1-31-17-6-4-5-16(9-17)11-26-13-24(14-26)15-27(33(3,29)30)21(12-28)23-22(24)19-8-7-18(32-2)10-20(19)25-23/h4-10,21,25,28H,11-15H2,1-3H3/t21-/m1/s1
InChIKeySIEBHIUQHNGFMH-OAQYLSRUSA-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-1'-[(3-methoxyphenyl)methyl]-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:129957) is a harmala alkaloid (CHEBI:61379)
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