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CHEBI:190582 - XLR11 N-(2-fluoropentyl) isomer

ChEBI IDCHEBI:190582
ChEBI NameXLR11 N-(2-fluoropentyl) isomer
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28FNO
Net Charge0
Average Mass329.459
Monoisotopic Mass329.21549
SMILESCCCC(F)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C21H28FNO/c1-6-9-14(22)12-23-13-16(15-10-7-8-11-17(15)23)18(24)19-20(2,3)21(19,4)5/h7-8,10-11,13-14,19H,6,9,12H2,1-5H3
InChIKeyQWKOFFDPSCMXAL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
XLR11 N-(2-fluoropentyl) isomer (CHEBI:190582) is a indoles (CHEBI:24828)
IUPAC Name 
[1-(2-luoropentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Manual XrefsDatabases
29341390ChemSpider
Registry NumbersSources
CAS:1628690-25-4ChemIDplus