CHEBI:129569 - (1R)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1'-propylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide

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ChEBI Name (1R)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1'-propylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide
ChEBI ID CHEBI:129569
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H30FN5O4
Net Charge 0
Average Mass 495.547
Monoisotopic Mass 495.22818
InChI InChI=1S/C26H30FN5O4/c1-3-10-28-24(34)31-13-26(14-31)15-32(25(35)29-17-6-4-16(27)5-7-17)21(12-33)23-22(26)19-9-8-18(36-2)11-20(19)30-23/h4-9,11,21,30,33H,3,10,12-15H2,1-2H3,(H,28,34)(H,29,35)/t21-/m0/s1
InChIKey SOSOVIUQWTYAEV-NRFANRHFSA-N
SMILES CCCNC(=O)N1CC2(C1)CN([C@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)NC5=CC=C(C=C5)F
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing (1R)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1'-propylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide (CHEBI:129569) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-41120 LINCS
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