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CHEBI:127422 - (1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-N-phenyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:127422
ChEBI Name(1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-N-phenyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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DownloadsMolfile
FormulaC25H30N4O5S
Net Charge0
Average Mass498.605
Monoisotopic Mass498.19369
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H30N4O5S/c1-34-18-8-9-19-20(14-18)27-23-21(15-30)29(35(2,32)33)16-25(22(19)23)10-12-28(13-11-25)24(31)26-17-6-4-3-5-7-17/h3-9,14,21,27,30H,10-13,15-16H2,1-2H3,(H,26,31)/t21-/m1/s1
InChIKeyCBZCTQSELMVVHX-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)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-N-phenyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:127422) is a harmala alkaloid (CHEBI:61379)
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