CHEBI:130226 - (1S)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

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ChEBI Name (1S)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
ChEBI ID CHEBI:130226
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H31FN4O3
Net Charge 0
Average Mass 466.549
Monoisotopic Mass 466.23802
InChI InChI=1S/C26H31FN4O3/c1-16(2)28-25(33)31-15-26(13-30(14-26)11-17-4-6-18(27)7-5-17)23-20-9-8-19(34-3)10-21(20)29-24(23)22(31)12-32/h4-10,16,22,29,32H,11-15H2,1-3H3,(H,28,33)/t22-/m1/s1
InChIKey FPDZONGDWBEUFP-JOCHJYFZSA-N
SMILES CC(C)NC(=O)N1CC2(CN(C2)CC3=CC=C(C=C3)F)C4=C([C@H]1CO)NC5=C4C=CC(=C5)OC
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)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130226) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-41775 LINCS
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