CHEBI:125875 - (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(1-oxo-2-phenylethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

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ChEBI Name (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(1-oxo-2-phenylethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
ChEBI ID CHEBI:125875
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H29FN4O4
Net Charge 0
Average Mass 528.575
Monoisotopic Mass 528.21728
InChI InChI=1S/C30H29FN4O4/c1-39-22-11-12-23-24(14-22)33-28-25(15-36)35(29(38)32-21-9-7-20(31)8-10-21)18-30(27(23)28)16-34(17-30)26(37)13-19-5-3-2-4-6-19/h2-12,14,25,33,36H,13,15-18H2,1H3,(H,32,38)/t25-/m1/s1
InChIKey XAQJKRDUCBGEHR-RUZDIDTESA-N
SMILES COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)C(=O)CC5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)F)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)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(1-oxo-2-phenylethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:125875) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-37442 LINCS
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