CHEBI:63245 - 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

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ChEBI Name 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione ChEBI ID CHEBI:63245 Definition A seco-androstane that is 9,10-secoandrostane which is substituted by oxo groups at positions 9 and 17 and in which the A-ring is aromatic and bears a hydroxy group at position 3. Stars This entity has been manually annotated by the ChEBI Team. 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 C19H24O3 Net Charge 0 Average Mass 300.39210 Monoisotopic Mass 300.17254 InChI InChI=1S/C19H24O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,20H,4,6-10H2,1-2H3/t15?,16-,19-/m0/s1 InChIKey ZWXONJFCJAGEBA-RRSHCKCTSA-N SMILES [H][C@@]12CCC(=O)[C@@]1(C)CCC(=O)C2CCc1cc(O)ccc1C ChEBI Ontology Outgoing 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione (CHEBI:63245) is a cyclic ketone (CHEBI:3992) 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione (CHEBI:63245) is a phenols (CHEBI:33853) 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione (CHEBI:63245) is a seco-androstane (CHEBI:26616) IUPAC Name (8ξ)-3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione Synonyms Sources 3-hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione UniProt 9,10-secoandrosta-1,3,5(10)-triene-9,17-dione, 3-hydroxy- ChemIDplus secophenol ChemIDplus Registry Number Type Source 2394-69-6 CAS Registry Number ChemIDplus Citation Type Source 20448045 PubMed citation Europe PMC Last Modified 19 August 2020