CHEBI:130166 - (1S)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

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ChEBI Name (1S)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
ChEBI ID CHEBI:130166
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H36N4O3
Net Charge 0
Average Mass 488.622
Monoisotopic Mass 488.27874
InChI InChI=1S/C29H36N4O3/c1-31-24-14-22(36-2)12-13-23(24)26-27(31)25(16-34)32(15-20-8-6-7-9-20)17-29(26)18-33(19-29)28(35)30-21-10-4-3-5-11-21/h3-5,10-14,20,25,34H,6-9,15-19H2,1-2H3,(H,30,35)/t25-/m1/s1
InChIKey KBIWILBYYQSWIL-RUZDIDTESA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)NC5=CC=CC=C5)CC6CCCC6)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 (1S)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130166) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-41716 LINCS
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