EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230848 - Flutroline

ChEBI IDCHEBI:230848
ChEBI NameFlutroline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H25F3N2O
Net Charge0
Average Mass450.504
Monoisotopic Mass450.19190
SMILESOC(CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C27H25F3N2O/c28-19-5-3-18(4-6-19)27(33)2-1-14-31-15-13-26-24(17-31)23-16-21(30)9-12-25(23)32(26)22-10-7-20(29)8-11-22/h3-12,16,27,33H,1-2,13-15,17H2
InChIKeyOYGDOCFZQVGFIP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Flutroline (CHEBI:230848) is a pyrroles (CHEBI:26455)
IUPAC Name 
4-[8-luoro-5-(4-luorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-luorophenyl)butan-1-ol
Manual XrefsDatabases
HMDB0252421HMDB
46378ChemSpider
D02662KEGG DRUG