CHEBI:128544 - cyclohexyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

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ChEBI Name cyclohexyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
ChEBI ID CHEBI:128544
Stars This entity has been manually annotated by a third party.
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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)8-9-23(24)26-27(31)25(16-34)32(15-20-10-12-30-13-11-20)17-29(26)18-33(19-29)28(35)21-6-4-3-5-7-21/h8-14,21,25,34H,3-7,15-19H2,1-2H3/t25-/m1/s1
InChIKey WMEDZRPLZKJLHD-RUZDIDTESA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)C5CCCCC5)CC6=CC=NC=C6)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 cyclohexyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:128544) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-40098 LINCS
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