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CHEBI:127156 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone

ChEBI IDCHEBI:127156
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone
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DownloadsMolfile
FormulaC30H39N5O4
Net Charge0
Average Mass533.673
Monoisotopic Mass533.30020
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CN1CCOCC1)CC31CCN(Cc2ccncc2)CC1
InChIInChI=1S/C30H39N5O4/c1-32-25-17-23(38-2)3-4-24(25)28-29(32)26(20-36)35(27(37)19-34-13-15-39-16-14-34)21-30(28)7-11-33(12-8-30)18-22-5-9-31-10-6-22/h3-6,9-10,17,26,36H,7-8,11-16,18-21H2,1-2H3/t26-/m1/s1
InChIKeyWQLAOOWGOFCETA-AREMUKBSSA-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'-(pyridin-4-ylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone (CHEBI:127156) is a harmala alkaloid (CHEBI:61379)
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