CHEBI:17766 - cyclohexane-1,3-dione

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ChEBI Name cyclohexane-1,3-dione ChEBI ID CHEBI:17766 Definition A cyclohexanedione carrying oxo substituents at positions 1 and 3. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:4010, CHEBI:23473, CHEBI:14050 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H8O2 Net Charge 0 Average Mass 112.12652 Monoisotopic Mass 112.05243 InChI InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2 InChIKey HJSLFCCWAKVHIW-UHFFFAOYSA-N SMILES O=C1CCCC(=O)C1 ChEBI Ontology Outgoing cyclohexane-1,3-dione (CHEBI:17766) is a β-diketone (CHEBI:67265) cyclohexane-1,3-dione (CHEBI:17766) is a cyclohexanedione (CHEBI:23478) IUPAC Name cyclohexane-1,3-dione Synonyms Sources 1,3-Cyclohexanedione KEGG COMPOUND Cyclohexane-1,3-dione KEGG COMPOUND cyclohexane-1,3-dione UniProt Dihydroresorcinol KEGG COMPOUND Manual Xrefs Databases C01066 KEGG COMPOUND CYCLOHEXANE-13-DIONE MetaCyc View more database links Registry Numbers Types Sources 200899 Gmelin Registry Number Gmelin 385888 Beilstein Registry Number Beilstein 385888 Reaxys Registry Number Reaxys 504-02-9 CAS Registry Number KEGG COMPOUND 504-02-9 CAS Registry Number NIST Chemistry WebBook 504-02-9 CAS Registry Number ChemIDplus Citations Types Sources 18863814 PubMed citation Europe PMC 5654929 PubMed citation Europe PMC Last Modified 13 November 2017