CHEBI:130865 - (1R)-2-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

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ChEBI Name (1R)-2-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
ChEBI ID CHEBI:130865
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H38N4O5
Net Charge 0
Average Mass 546.658
Monoisotopic Mass 546.28422
InChI InChI=1S/C31H38N4O5/c1-33-25-17-23(40-3)11-12-24(25)27-28(33)26(18-36)35(29(37)20-5-4-6-20)19-31(27)13-15-34(16-14-31)30(38)32-21-7-9-22(39-2)10-8-21/h7-12,17,20,26,36H,4-6,13-16,18-19H2,1-3H3,(H,32,38)/t26-/m0/s1
InChIKey FCVPSBUWBQZYJZ-SANMLTNESA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)C(=O)NC5=CC=C(C=C5)OC)C(=O)C6CCC6)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 (1R)-2-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:130865) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-42414 LINCS
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