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CHEBI:127316 - [(1S)-7-methoxy-9-methyl-2-methylsulfonyl-1'-(5-pyrimidinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:127316
ChEBI Name[(1S)-7-methoxy-9-methyl-2-methylsulfonyl-1'-(5-pyrimidinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
Stars
DownloadsMolfile
FormulaC24H31N5O4S
Net Charge0
Average Mass485.610
Monoisotopic Mass485.20968
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(Cc2cncnc2)CC1
InChIInChI=1S/C24H31N5O4S/c1-27-20-10-18(33-2)4-5-19(20)22-23(27)21(14-30)29(34(3,31)32)15-24(22)6-8-28(9-7-24)13-17-11-25-16-26-12-17/h4-5,10-12,16,21,30H,6-9,13-15H2,1-3H3/t21-/m1/s1
InChIKeyDODXMHDBRNDKQH-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-9-methyl-2-methylsulfonyl-1'-(5-pyrimidinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:127316) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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