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CHEBI:128205 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(3-pyridinyl)ethanone

ChEBI IDCHEBI:128205
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(3-pyridinyl)ethanone
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DownloadsMolfile
FormulaC31H34N4O5S
Net Charge0
Average Mass574.703
Monoisotopic Mass574.22499
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(S(=O)(=O)c1ccc(C)cc1)CC31CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C31H34N4O5S/c1-21-5-8-24(9-6-21)41(38,39)35-20-31(11-14-34(15-12-31)28(37)16-22-4-3-13-32-18-22)29-25-10-7-23(40-2)17-26(25)33-30(29)27(35)19-36/h3-10,13,17-18,27,33,36H,11-12,14-16,19-20H2,1-2H3/t27-/m0/s1
InChIKeyNDQFUSVNTKGLAV-MHZLTWQESA-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)
1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(3-pyridinyl)ethanone (CHEBI:128205) is a harmala alkaloid (CHEBI:61379)
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