{"id":16815,"npaid":"NPA016815","original_name":"Radianspene A","mol_formula":"C22H32O5","mol_weight":"376.4930","exact_mass":"376.2250","inchikey":"BEMZAUOOVKSYLX-CUUWFGFTSA-N","smiles":"CC(C)[C@H]1[C@H]([C@H](C2=CC3=C(C(=O)CC[C@]3(CC[C@]12C)C)CO)O)OC(=O)C","cluster_id":1598,"node_id":191,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H32O5/c1-12(2)18-20(27-13(3)24)19(26)16-10-15-14(11-23)17(25)6-7-21(15,4)8-9-22(16,18)5/h10,12,18-20,23,26H,6-9,11H2,1-5H3/t18-,19-,20+,21-,22-/m0/s1","m_plus_h":"377.2323","m_plus_na":"399.2142","origin_reference":{"doi":"10.1016/j.phytochem.2012.03.002","pmid":22521133,"authors":"Ou, Yi-Xin; Li, Yao-Yao; Qian, Xiao-Ming; Shen, Yue-Mao","title":"Guanacastane-type diterpenoids from Coprinus radians","journal":"Phytochemistry","year":2012,"volume":"78","issue":null,"pages":"190-196"},"origin_organism":{"id":1144,"type":"Fungus","genus":"Coprinus","species":"radians M65","taxon":{"id":1454,"name":"Coprinus","rank":"genus","taxon_db":"mycobank","external_id":"17367","ncbi_id":5345,"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":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1453,"name":"Coprinaceae","rank":"family","taxon_db":"mycobank","external_id":"81978","ncbi_id":5339}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.phytochem.2012.03.002","structure_smiles":"CC(C)[C@H]1[C@H]([C@H](C2=CC3=C(C(=O)CC[C@]3(CC[C@]12C)C)CO)O)OC(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0010756"}],"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@H]1[C@@H](OC(C)=O)[C@@H](O)C2=CC3=C(CO)C(=O)CC[C@@]3(C)CC[C@]12C","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=BEMZAUOOVKSYLX-CUUWFGFTSA-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","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclic ketones","Cyclohexenones","Hydrocarbon derivatives","Ketones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Primary alcohols","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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