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CHEBI:129164 - 2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(pyridin-4-ylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:129164
ChEBI Name2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(pyridin-4-ylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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FormulaC25H31N5O3
Net Charge0
Average Mass449.555
Monoisotopic Mass449.24269
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccncc1)CC31CN(C(=O)CN(C)C)C1
InChIInChI=1S/C25H31N5O3/c1-28(2)12-22(32)30-15-25(16-30)14-29(11-17-6-8-26-9-7-17)21(13-31)24-23(25)19-5-4-18(33-3)10-20(19)27-24/h4-10,21,27,31H,11-16H2,1-3H3/t21-/m1/s1
InChIKeyOCJWVYYATIBFAT-OAQYLSRUSA-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)
2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(pyridin-4-ylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:129164) is a harmala alkaloid (CHEBI:61379)
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