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CHEBI:127993 - [(1S)-7-methoxy-2,9-dimethyl-1'-thiophen-2-ylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:127993
ChEBI Name[(1S)-7-methoxy-2,9-dimethyl-1'-thiophen-2-ylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC21H25N3O4S2
Net Charge0
Average Mass447.582
Monoisotopic Mass447.12865
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C21H25N3O4S2/c1-22-11-21(12-24(13-21)30(26,27)18-5-4-8-29-18)19-15-7-6-14(28-3)9-16(15)23(2)20(19)17(22)10-25/h4-9,17,25H,10-13H2,1-3H3/t17-/m1/s1
InChIKeyHMRHVJMZJNBTAN-QGZVFWFLSA-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-2,9-dimethyl-1'-thiophen-2-ylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:127993) is a harmala alkaloid (CHEBI:61379)
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