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CHEBI:128452 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:128452
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone
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DownloadsMolfile
FormulaC27H33N3O4
Net Charge0
Average Mass463.578
Monoisotopic Mass463.24711
SMILESCOCC(=O)N1CC2(CCN(Cc3ccccc3)CC2)c2c(nc3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C27H33N3O4/c1-33-17-24(32)30-18-27(10-12-29(13-11-27)15-19-6-4-3-5-7-19)25-21-9-8-20(34-2)14-22(21)28-26(25)23(30)16-31/h3-9,14,23,28,31H,10-13,15-18H2,1-2H3/t23-/m0/s1
InChIKeyCFUPJBLPFAFPTJ-QHCPKHFHSA-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-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone (CHEBI:128452) is a harmala alkaloid (CHEBI:61379)
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