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CHEBI:128703 - (1S)-2-(2-cyclopropyl-1-oxoethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:128703
ChEBI Name(1S)-2-(2-cyclopropyl-1-oxoethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC25H34N4O4
Net Charge0
Average Mass454.571
Monoisotopic Mass454.25801
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)NC(C)C)C1
InChIInChI=1S/C25H34N4O4/c1-15(2)26-24(32)28-12-25(13-28)14-29(21(31)9-16-5-6-16)20(11-30)23-22(25)18-8-7-17(33-4)10-19(18)27(23)3/h7-8,10,15-16,20,30H,5-6,9,11-14H2,1-4H3,(H,26,32)/t20-/m1/s1
InChIKeyPOJIKDBTUUBEIH-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)-2-(2-cyclopropyl-1-oxoethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128703) is a harmala alkaloid (CHEBI:61379)
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