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CHEBI:130841 - 1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone

Default Structure
ChEBI IDCHEBI:130841
ChEBI Name1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone
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DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESCOCC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C26H31N3O5/c1-32-13-23(31)29-15-26(16-29)14-28(11-17-5-4-6-18(9-17)33-2)22(12-30)25-24(26)20-8-7-19(34-3)10-21(20)27-25/h4-10,22,27,30H,11-16H2,1-3H3/t22-/m0/s1
InChIKeyTXIQMGIIUMEPQG-QFIPXVFZSA-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-[(3-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone (CHEBI:130841) is a harmala alkaloid (CHEBI:61379)
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