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CHEBI:189504 - Fr 145237

ChEBI IDCHEBI:189504
ChEBI NameFr 145237
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H22ClF3N2O2
Net Charge0
Average Mass534.965
Monoisotopic Mass534.13219
SMILESCc1ccc2oc(CN(Cc3ccccc3)C(=O)Nc3c(F)cc(F)cc3F)c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C30H22ClF3N2O2/c1-18-7-12-26-23(13-18)28(20-8-10-21(31)11-9-20)27(38-26)17-36(16-19-5-3-2-4-6-19)30(37)35-29-24(33)14-22(32)15-25(29)34/h2-15H,16-17H2,1H3,(H,35,37)
InChIKeyGJRPAGNTTAPJCC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Fr 145237 (CHEBI:189504) is a benzofurans (CHEBI:35259)
IUPAC Name 
1-benzyl-1-[[3-(4-chlorophenyl)-5-methyl-1-benzouran-2-yl]methyl]-3-(2,4,6-triluorophenyl)urea
Manual XrefsDatabases
8025769ChemSpider