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CHEBI:135659 - ethyl biscoumacetate

Default Structure
ChEBI IDCHEBI:135659
ChEBI Nameethyl biscoumacetate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC22H16O8
Net Charge0
Average Mass408.362
Monoisotopic Mass408.08452
SMILESCCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,23-24H,2H2,1H3
InChIKeyJCLHQFUTFHUXNN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl biscoumacetate (CHEBI:135659) is a hydroxycoumarin (CHEBI:37912)
Synonyms  Source
carbethoxydicoumarolDrugCentral
ethyldicoumarolDrugCentral
neodicoumarinDrugCentral
neodicoumarolDrugCentral
neodicumarinumDrugCentral
neodicumarolDrugCentral
Manual XrefsDatabases
1091DrugCentral
Registry NumbersSources
CAS:548-00-5DrugCentral