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CHEBI:128706 - [(1S)-1-(hydroxymethyl)-7-methoxy-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-oxanyl)methanone

ChEBI IDCHEBI:128706
ChEBI Name[(1S)-1-(hydroxymethyl)-7-methoxy-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-oxanyl)methanone
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FormulaC23H31N3O4
Net Charge0
Average Mass413.518
Monoisotopic Mass413.23146
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CN(C)C1
InChIInChI=1S/C23H31N3O4/c1-24-12-23(13-24)14-26(22(28)15-6-8-30-9-7-15)19(11-27)21-20(23)17-5-4-16(29-3)10-18(17)25(21)2/h4-5,10,15,19,27H,6-9,11-14H2,1-3H3/t19-/m1/s1
InChIKeyJNZYEAMSUYTPKA-LJQANCHMSA-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-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-oxanyl)methanone (CHEBI:128706) is a harmala alkaloid (CHEBI:61379)
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