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CHEBI:128232 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:128232
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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DownloadsMolfile
FormulaC24H26N4O4
Net Charge0
Average Mass434.496
Monoisotopic Mass434.19541
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CN(C(C)=O)C1
InChIInChI=1S/C24H26N4O4/c1-15(30)27-12-24(13-27)14-28(23(31)16-6-8-25-9-7-16)20(11-29)22-21(24)18-5-4-17(32-3)10-19(18)26(22)2/h4-10,20,29H,11-14H2,1-3H3/t20-/m1/s1
InChIKeyLRICTGYJZSQIRK-HXUWFJFHSA-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-2-[oxo(pyridin-4-yl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:128232) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-39787LINCS