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CHEBI:129833 - 1-[(1R)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone

ChEBI IDCHEBI:129833
ChEBI Name1-[(1R)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone
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DownloadsMolfile
FormulaC23H30N4O5
Net Charge0
Average Mass442.516
Monoisotopic Mass442.22162
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C23H30N4O5/c1-15(29)27-14-23(12-26(13-23)20(30)10-25-5-7-32-8-6-25)21-17-4-3-16(31-2)9-18(17)24-22(21)19(27)11-28/h3-4,9,19,24,28H,5-8,10-14H2,1-2H3/t19-/m0/s1
InChIKeyHUFFCJXPTCNNEK-IBGZPJMESA-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)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone (CHEBI:129833) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41384LINCS