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CHEBI:128500 - (1S)-1-(hydroxymethyl)-7-methoxy-1'-[1-oxo-2-(3-pyridinyl)ethyl]-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:128500
ChEBI Name(1S)-1-(hydroxymethyl)-7-methoxy-1'-[1-oxo-2-(3-pyridinyl)ethyl]-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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DownloadsMolfile
FormulaC26H31N5O4
Net Charge0
Average Mass477.565
Monoisotopic Mass477.23760
SMILESCCCNC(=O)N1CC2(CN(C(=O)Cc3cccnc3)C2)c2c(nc3cc(OC)ccc23)[C@H]1CO
InChIInChI=1S/C26H31N5O4/c1-3-8-28-25(34)31-16-26(14-30(15-26)22(33)10-17-5-4-9-27-12-17)23-19-7-6-18(35-2)11-20(19)29-24(23)21(31)13-32/h4-7,9,11-12,21,29,32H,3,8,10,13-16H2,1-2H3,(H,28,34)/t21-/m1/s1
InChIKeyDPDWIGHHXKQASU-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)
(1S)-1-(hydroxymethyl)-7-methoxy-1'-[1-oxo-2-(3-pyridinyl)ethyl]-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128500) is a harmala alkaloid (CHEBI:61379)
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