EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129227 - [(1R)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1',9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:129227
ChEBI Name[(1R)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1',9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
Stars
DownloadsMolfile
FormulaC25H31N3O3
Net Charge0
Average Mass421.541
Monoisotopic Mass421.23654
SMILESCOc1cccc(CN2CC3(CN(C)C3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)c1
InChIInChI=1S/C25H31N3O3/c1-26-14-25(15-26)16-28(12-17-6-5-7-18(10-17)30-3)22(13-29)24-23(25)20-9-8-19(31-4)11-21(20)27(24)2/h5-11,22,29H,12-16H2,1-4H3/t22-/m0/s1
InChIKeyFSNYHUWNWFSPCW-QFIPXVFZSA-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)
[(1R)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1',9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:129227) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40778LINCS