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CHEBI:183473 - ethyl 5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate

ChEBI IDCHEBI:183473
ChEBI Nameethyl 5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H13Cl3N2O2
Net Charge0
Average Mass395.673
Monoisotopic Mass394.00426
SMILESCCOC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)13-10-22-23(16(13)11-6-4-3-5-7-11)17-14(20)8-12(19)9-15(17)21/h3-10H,2H2,1H3
InChIKeyDHCUVWJIFJLSPB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
ethyl 5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate (CHEBI:183473) is a pyrazoles (CHEBI:26410)
ethyl 5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate (CHEBI:183473) is a ring assembly (CHEBI:36820)
IUPAC Name 
ethyl 5-phenyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylate
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