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CHEBI:127224 - 2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:127224
ChEBI Name2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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DownloadsMolfile
FormulaC25H36N4O4
Net Charge0
Average Mass456.587
Monoisotopic Mass456.27366
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(CC2CCOCC2)C1
InChIInChI=1S/C25H36N4O4/c1-27(2)12-22(31)29-16-25(14-28(15-25)11-17-6-8-33-9-7-17)23-19-5-4-18(32-3)10-20(19)26-24(23)21(29)13-30/h4-5,10,17,21,26,30H,6-9,11-16H2,1-3H3/t21-/m0/s1
InChIKeyBCEWOOBMZZKKIA-NRFANRHFSA-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)
2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:127224) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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