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CHEBI:126804 - [(1R)-1-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-pyridin-4-ylmethanone

ChEBI IDCHEBI:126804
ChEBI Name[(1R)-1-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-pyridin-4-ylmethanone
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FormulaC22H24N4O3
Net Charge0
Average Mass392.459
Monoisotopic Mass392.18484
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(C)C1
InChIInChI=1S/C22H24N4O3/c1-25-11-22(12-25)13-26(21(28)14-5-7-23-8-6-14)18(10-27)20-19(22)16-4-3-15(29-2)9-17(16)24-20/h3-9,18,24,27H,10-13H2,1-2H3/t18-/m0/s1
InChIKeyJJTUPTRIZWKCMY-SFHVURJKSA-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-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-pyridin-4-ylmethanone (CHEBI:126804) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38367LINCS