EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128759 - [(1S)-7-methoxy-9-methyl-1'-(4-oxanylmethyl)-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:128759
ChEBI Name[(1S)-7-methoxy-9-methyl-1'-(4-oxanylmethyl)-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
Stars
DownloadsMolfile
FormulaC22H31N3O3
Net Charge0
Average Mass385.508
Monoisotopic Mass385.23654
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(CC2CCOCC2)C1
InChIInChI=1S/C22H31N3O3/c1-24-19-9-16(27-2)3-4-17(19)20-21(24)18(11-26)23-12-22(20)13-25(14-22)10-15-5-7-28-8-6-15/h3-4,9,15,18,23,26H,5-8,10-14H2,1-2H3/t18-/m1/s1
InChIKeyDRWNTKOQDOWYNX-GOSISDBHSA-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)-7-methoxy-9-methyl-1'-(4-oxanylmethyl)-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:128759) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40312LINCS