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CHEBI:126846 - cyclopropyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-[(2-methoxyphenyl)methyl]-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:126846
ChEBI Namecyclopropyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-[(2-methoxyphenyl)methyl]-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
Stars
DownloadsMolfile
FormulaC28H33N3O4
Net Charge0
Average Mass475.589
Monoisotopic Mass475.24711
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(Cc2ccccc2OC)C1
InChIInChI=1S/C28H33N3O4/c1-29-22-12-20(34-2)10-11-21(22)25-26(29)23(14-32)31(27(33)18-8-9-18)17-28(25)15-30(16-28)13-19-6-4-5-7-24(19)35-3/h4-7,10-12,18,23,32H,8-9,13-17H2,1-3H3/t23-/m0/s1
InChIKeyGPKISOQNMJYSOP-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)
cyclopropyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-[(2-methoxyphenyl)methyl]-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:126846) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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