CHEBI:81892 - Brodifacoum

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ChEBI Name Brodifacoum
ChEBI ID CHEBI:81892
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H23BrO3
Net Charge 0
Average Mass 523.41700
Monoisotopic Mass 522.083
InChI InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2
InChIKey VEUZZDOCACZPRY-UHFFFAOYSA-N
SMILES Oc1c(C2CC(Cc3ccccc23)c2ccc(cc2)-c2ccc(Br)cc2)c(=O)oc2ccccc12
ChEBI Ontology
Outgoing Brodifacoum (CHEBI:81892) is a benzenes (CHEBI:22712)
Brodifacoum (CHEBI:81892) is a naphthalenes (CHEBI:25477)
Brodifacoum (CHEBI:81892) is a ring assembly (CHEBI:36820)
Manual Xrefs Databases
87 PPDB
C18694 KEGG COMPOUND
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Registry Number Type Source
56073-10-0 CAS Registry Number KEGG COMPOUND