CHEBI:80743 - Difenacoum

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ChEBI Name Difenacoum
ChEBI ID CHEBI:80743
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H24O3
Net Charge 0
Average Mass 444.52050
Monoisotopic Mass 444.173
InChI InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2
InChIKey FVQITOLOYMWVFU-UHFFFAOYSA-N
SMILES Oc1c(C2CC(Cc3ccccc23)c2ccc(cc2)-c2ccccc2)c(=O)oc2ccccc12
ChEBI Ontology
Outgoing Difenacoum (CHEBI:80743) is a benzenes (CHEBI:22712)
Difenacoum (CHEBI:80743) is a naphthalenes (CHEBI:25477)
Difenacoum (CHEBI:80743) is a ring assembly (CHEBI:36820)
Manual Xrefs Databases
229 PPDB
C16807 KEGG COMPOUND
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Registry Number Type Source
56073-07-5 CAS Registry Number KEGG COMPOUND