CHEBI:128982 - (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[4-oxanyl(oxo)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[4-oxanyl(oxo)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
ChEBI ID CHEBI:128982
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H33FN4O5
Net Charge 0
Average Mass 536.596
Monoisotopic Mass 536.24350
InChI InChI=1S/C29H33FN4O5/c1-32-23-13-21(38-2)6-7-22(23)25-26(32)24(14-35)34(27(36)18-8-10-39-11-9-18)17-29(25)15-33(16-29)28(37)31-20-5-3-4-19(30)12-20/h3-7,12-13,18,24,35H,8-11,14-17H2,1-2H3,(H,31,37)/t24-/m1/s1
InChIKey CXEJULGNLUYSDT-XMMPIXPASA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)NC5=CC(=CC=C5)F)C(=O)C6CCOCC6)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[4-oxanyl(oxo)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128982) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-40534 LINCS
View more database links