EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129311 - (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(4-oxanylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

ChEBI IDCHEBI:129311
ChEBI Name(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(4-oxanylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
Stars
DownloadsMolfile
FormulaC29H34FN3O4
Net Charge0
Average Mass507.606
Monoisotopic Mass507.25333
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(CC2CCOCC2)C1
InChIInChI=1S/C29H34FN3O4/c1-31-24-13-22(36-2)7-8-23(24)26-27(31)25(15-34)33(28(35)20-3-5-21(30)6-4-20)18-29(26)16-32(17-29)14-19-9-11-37-12-10-19/h3-8,13,19,25,34H,9-12,14-18H2,1-2H3/t25-/m1/s1
InChIKeyYGYSTBHWEFBZQP-RUZDIDTESA-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)
(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(4-oxanylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:129311) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40862LINCS