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CHEBI:130983 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:130983
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
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FormulaC25H29N3O4
Net Charge0
Average Mass435.524
Monoisotopic Mass435.21581
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CN(C(C)=O)C1
InChIInChI=1S/C25H29N3O4/c1-16(30)28-14-25(15-28)13-27(11-17-6-4-5-7-22(17)32-3)21(12-29)24-23(25)19-9-8-18(31-2)10-20(19)26-24/h4-10,21,26,29H,11-15H2,1-3H3/t21-/m1/s1
InChIKeyGORXVTYAZVGSBL-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)
1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:130983) is a harmala alkaloid (CHEBI:61379)
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