EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:125874 - [(1S)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:125874
ChEBI Name[(1S)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
Stars
DownloadsMolfile
FormulaC22H23F2N3O2
Net Charge0
Average Mass399.441
Monoisotopic Mass399.17583
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C22H23F2N3O2/c1-29-15-3-4-16-18(7-15)26-21-19(9-28)25-10-22(20(16)21)11-27(12-22)8-13-6-14(23)2-5-17(13)24/h2-7,19,25-26,28H,8-12H2,1H3/t19-/m1/s1
InChIKeyZBNDOCCMKSOYDY-LJQANCHMSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
[(1S)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:125874) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-37441LINCS