CHEBI:89642 - Gestrinone

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ChEBI Name Gestrinone ChEBI ID CHEBI:89642 Stars This entity has been manually annotated by a third party. Supplier Information ChemicalBook:CB3121391, eMolecules:3715958, eMolecules:30512708, ZINC000003938633 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C21H24O2 Net Charge 0 Average Mass 308.415 Monoisotopic Mass 308.17763 InChI InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1 InChIKey BJJXHLWLUDYTGC-ANULTFPQSA-N SMILES O[C@@]1([C@@]2([C@]([C@]3(C(C=C2)=C4C(CC3)=CC(=O)CC4)[H])(CC1)[H])CC)C#C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed ChEBI Ontology Outgoing Gestrinone (CHEBI:89642) is a oxo steroid (CHEBI:35789) Synonyms Sources (10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6,16-trien-5-one HMDB (17a)-13-ethyl-17-hydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one HMDB 13-Ethyl-17-hydroxy-18,19-Dinor-17a-pregna-4,9,11-trien-20-yn-3-one HMDB 13-Ethyl-17a-ethynyl-17b-hydroxygona-4,9,11-trien-3-one HMDB Dimetriose HMDB dimetrose DrugCentral Ethylnorgestrienone HMDB Gestrigone HMDB Gestrinona HMDB Nemestran HMDB Tridomose HMDB Manual Xrefs Databases 1292 DrugCentral Gestrinone Wikipedia HMDB0002720 HMDB View more database links Registry Number Type Source 16320-04-0 CAS Registry Number KEGG COMPOUND Citations Last Modified 22 February 2017