CHEBI:189504 - Fr 145237

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fr 145237
ChEBI ID CHEBI:189504
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H22ClF3N2O2
Net Charge 0
Average Mass 534.960
Monoisotopic Mass 534.13219
InChI InChI=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)
InChIKey GJRPAGNTTAPJCC-UHFFFAOYSA-N
SMILES ClC1=CC=C(C2=C(OC3=C2C=C(C=C3)C)CN(CC4=CC=CC=C4)C(=O)NC5=C(F)C=C(F)C=C5F)C=C1
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
8025769 ChemSpider
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