CHEBI:129535 - 1-[(1R)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(dimethylamino)ethanone

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ChEBI Name 1-[(1R)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(dimethylamino)ethanone
ChEBI ID CHEBI:129535
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H36N4O4
Net Charge 0
Average Mass 468.589
Monoisotopic Mass 468.27366
InChI InChI=1S/C26H36N4O4/c1-27(2)14-22(32)29-11-9-26(10-12-29)16-30(25(33)17-5-6-17)21(15-31)24-23(26)19-8-7-18(34-4)13-20(19)28(24)3/h7-8,13,17,21,31H,5-6,9-12,14-16H2,1-4H3/t21-/m0/s1
InChIKey ROTOASTVGPRSDO-NRFANRHFSA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)C(=O)CN(C)C)C(=O)C5CC5)CO
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 1-[(1R)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(dimethylamino)ethanone (CHEBI:129535) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-41086 LINCS
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