CHEBI:81894 - Flocoumafen

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Flocoumafen
ChEBI ID CHEBI:81894
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H25F3O4
Net Charge 0
Average Mass 542.54440
Monoisotopic Mass 542.17049
InChI InChI=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
InChIKey KKBGNYHHEIAGOH-UHFFFAOYSA-N
SMILES Oc1c(C2CC(Cc3ccccc23)c2ccc(OCc3ccc(cc3)C(F)(F)F)cc2)c(=O)oc2ccccc12
ChEBI Ontology
Outgoing 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 Xrefs Databases
320 PPDB
C18696 KEGG COMPOUND
D07134 KEGG DRUG
View more database links
Registry Number Type Source
90035-08-8 CAS Registry Number KEGG COMPOUND