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CHEBI:126279 - 1-[(1R)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

ChEBI IDCHEBI:126279
ChEBI Name1-[(1R)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone
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DownloadsMolfile
FormulaC25H33N3O4
Net Charge0
Average Mass439.556
Monoisotopic Mass439.24711
SMILESCCCC(=O)N1CC2(C1)CN(C(=O)C1CCCC1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C25H33N3O4/c1-3-6-21(30)27-13-25(14-27)15-28(24(31)16-7-4-5-8-16)20(12-29)23-22(25)18-10-9-17(32-2)11-19(18)26-23/h9-11,16,20,26,29H,3-8,12-15H2,1-2H3/t20-/m0/s1
InChIKeyILTDSSRDSAMYCJ-FQEVSTJZSA-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-[(1R)-2-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone (CHEBI:126279) is a harmala alkaloid (CHEBI:61379)
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