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CHEBI:125730 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(phenylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone

ChEBI IDCHEBI:125730
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(phenylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone
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DownloadsMolfile
FormulaC26H31N3O4
Net Charge0
Average Mass449.551
Monoisotopic Mass449.23146
SMILESCOCC(=O)N1CC2(CN(Cc3ccccc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO
InChIInChI=1S/C26H31N3O4/c1-27-21-11-19(33-3)9-10-20(21)24-25(27)22(13-30)29(23(31)14-32-2)17-26(24)15-28(16-26)12-18-7-5-4-6-8-18/h4-11,22,30H,12-17H2,1-3H3/t22-/m1/s1
InChIKeyDNCWFJGHBTUPKD-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'-(phenylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone (CHEBI:125730) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37299LINCS