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CHEBI:81894 - Flocoumafen

ChEBI IDCHEBI:81894
ChEBI NameFlocoumafen
Stars
DownloadsMolfile
FormulaC33H25F3O4
Net Charge0
Average Mass542.553
Monoisotopic Mass542.17049
SMILESO=c1oc2ccccc2c(O)c1C1CC(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21
InChIInChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2
InChIKeyKKBGNYHHEIAGOH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Flocoumafen (CHEBI:81894) is a benzenes (CHEBI:22712)
Flocoumafen (CHEBI:81894) is a naphthalenes (CHEBI:25477)
Flocoumafen (CHEBI:81894) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
C18696KEGG COMPOUND
D07134KEGG DRUG
320PPDB
Registry NumbersSources
CAS:90035-08-8KEGG COMPOUND