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CHEBI:130276 - [(1S)-7-methoxy-2-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:130276
ChEBI Name[(1S)-7-methoxy-2-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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DownloadsMolfile
FormulaC22H29N5O4S
Net Charge0
Average Mass459.572
Monoisotopic Mass459.19403
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C)CC31CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C22H29N5O4S/c1-25-11-19(23-14-25)32(29,30)27-8-6-22(7-9-27)13-26(2)18(12-28)21-20(22)16-5-4-15(31-3)10-17(16)24-21/h4-5,10-11,14,18,24,28H,6-9,12-13H2,1-3H3/t18-/m1/s1
InChIKeyRYBVUVRUGVCQGA-GOSISDBHSA-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-methyl-1'-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:130276) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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