CHEBI:128073 - (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

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ChEBI Name (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
ChEBI ID CHEBI:128073
Stars This entity has been manually annotated by a third party.
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Formula C29H29FN4O3
Net Charge 0
Average Mass 500.565
Monoisotopic Mass 500.22237
InChI InChI=1S/C29H29FN4O3/c1-37-22-10-11-23-24(13-22)32-27-25(15-35)33(14-19-6-3-2-4-7-19)16-29(26(23)27)17-34(18-29)28(36)31-21-9-5-8-20(30)12-21/h2-13,25,32,35H,14-18H2,1H3,(H,31,36)/t25-/m1/s1
InChIKey UAWCDJXFBGAITD-RUZDIDTESA-N
SMILES COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)C(=O)NC5=CC(=CC=C5)F)CC6=CC=CC=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 (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128073) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-39629 LINCS
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