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CHEBI:126899 - (1S)-1-(hydroxymethyl)-7-methoxy-2-[4-oxanyl(oxo)methyl]-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:126899
ChEBI Name(1S)-1-(hydroxymethyl)-7-methoxy-2-[4-oxanyl(oxo)methyl]-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC25H34N4O5
Net Charge0
Average Mass470.570
Monoisotopic Mass470.25292
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CN(C(=O)NC(C)C)C1
InChIInChI=1S/C25H34N4O5/c1-15(2)26-24(32)28-12-25(13-28)14-29(23(31)16-6-8-34-9-7-16)20(11-30)22-21(25)18-5-4-17(33-3)10-19(18)27-22/h4-5,10,15-16,20,27,30H,6-9,11-14H2,1-3H3,(H,26,32)/t20-/m1/s1
InChIKeyITKAHHPFNIBSCR-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)
(1S)-1-(hydroxymethyl)-7-methoxy-2-[4-oxanyl(oxo)methyl]-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:126899) is a harmala alkaloid (CHEBI:61379)
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