{"id":1809,"npaid":"NPA001809","original_name":"Panepoxydione","mol_formula":"C11H12O4","mol_weight":"208.2130","exact_mass":"208.0736","inchikey":"SPHYQDXGWOASKY-PPKCKEKNSA-N","smiles":"CC(=C[C@H](C1=CC(=O)[C@H]2[C@@H](C1=O)O2)O)C","cluster_id":1143,"node_id":976,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C11H12O4/c1-5(2)3-7(12)6-4-8(13)10-11(15-10)9(6)14/h3-4,7,10-12H,1-2H3/t7-,10+,11-/m1/s1","m_plus_h":"209.0809","m_plus_na":"231.0628","origin_reference":{"doi":"10.1002/hlca.19700530704","pmid":null,"authors":"Kis, Z.; Closse, A.; Sigg, H. P.; Hruban, L.; Snatzke, G.","title":"Die Struktur von Panepoxydon und verwandten Pilzmetaboliten","journal":"Helvetica Chimica Acta","year":1970,"volume":"53","issue":"7","pages":"1577-1597"},"origin_organism":{"id":1288,"type":"Fungus","genus":"Panus","species":"sp.","taxon":{"id":1565,"name":"Panus","rank":"genus","taxon_db":"mycobank","external_id":"18180","ncbi_id":38807,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1548,"name":"Polyporaceae","rank":"family","taxon_db":"mycobank","external_id":"81203","ncbi_id":5317}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/hlca.19700530704","structure_smiles":"CC(=C[C@H](C1=CC(=O)[C@H]2[C@@H](C1=O)O2)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0078649"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"CC(C)=C[C@@H](O)C1=CC(=O)[C@@H]2O[C@@H]2C1=O","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=SPHYQDXGWOASKY-PPKCKEKNSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},"ancestors":["Alcohols and polyols","Aldehydes","Carbonyl compounds","Chemical entities","Cyclic ketones","Cyclohexenones","Dialkyl ethers","Epoxides","Ethers","Hydrocarbon derivatives","Ketones","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as cyclohexenones. 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