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CHEBI:128219 - [(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-phenylmethanone

ChEBI IDCHEBI:128219
ChEBI Name[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-phenylmethanone
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DownloadsMolfile
FormulaC30H31N3O4
Net Charge0
Average Mass497.595
Monoisotopic Mass497.23146
SMILESCOc1ccc(CN2CC3(CN(C(=O)c4ccccc4)C3)c3c(nc4cc(OC)ccc34)[C@@H]2CO)cc1
InChIInChI=1S/C30H31N3O4/c1-36-22-10-8-20(9-11-22)15-32-17-30(18-33(19-30)29(35)21-6-4-3-5-7-21)27-24-13-12-23(37-2)14-25(24)31-28(27)26(32)16-34/h3-14,26,31,34H,15-19H2,1-2H3/t26-/m0/s1
InChIKeyYLGFRUMMMRQJOB-SANMLTNESA-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)
[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-phenylmethanone (CHEBI:128219) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39774LINCS