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CHEBI:127143 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[4-oxanyl(oxo)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:127143
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[4-oxanyl(oxo)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
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DownloadsMolfile
FormulaC26H35N3O5
Net Charge0
Average Mass469.582
Monoisotopic Mass469.25767
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C26H35N3O5/c1-17(31)29-16-26(8-10-28(11-9-26)25(32)18-6-12-34-13-7-18)23-20-5-4-19(33-3)14-21(20)27(2)24(23)22(29)15-30/h4-5,14,18,22,30H,6-13,15-16H2,1-3H3/t22-/m1/s1
InChIKeyZLGPKBFYEDHWBK-JOCHJYFZSA-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-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[4-oxanyl(oxo)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:127143) is a harmala alkaloid (CHEBI:61379)
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