{"id":448,"npaid":"NPA000448","original_name":"Paneolic acid","mol_formula":"C15H20O4","mol_weight":"264.3210","exact_mass":"264.1362","inchikey":"VFTMSVNDYVXTOG-NZVBXONLSA-N","smiles":"CC1=C2C[C@@](C[C@H]2C[C@](C1=O)(C)C(=O)C)(C)C(=O)O","cluster_id":347,"node_id":313,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H20O4/c1-8-11-7-14(3,13(18)19)5-10(11)6-15(4,9(2)16)12(8)17/h10H,5-7H2,1-4H3,(H,18,19)/t10-,14-,15+/m0/s1","m_plus_h":"265.1435","m_plus_na":"287.1254","origin_reference":{"doi":"10.7164/antibiotics.57.721","pmid":15712666,"authors":"Ma, Wenzhe; Huang, Yicun; Lin, Lidong; Zhu, Xiaofeng; Chen, Yizhu; Xu, Hanhong; Wei, Xiaoyi","title":"Two new biologically active illudane sesquiterpenes from the mycelial cultures of Panaeolus retirugis","journal":"Journal of Antibiotics","year":2004,"volume":"57","issue":"11","pages":"721-725"},"origin_organism":{"id":393,"type":"Fungus","genus":"Panaeolus","species":"retirugis","taxon":{"id":1451,"name":"Panaeolus","rank":"genus","taxon_db":"mycobank","external_id":"18177","ncbi_id":71684,"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":1448,"name":"Psathyrellaceae","rank":"family","taxon_db":"mycobank","external_id":"82127","ncbi_id":184208}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.57.721","structure_smiles":"CC1=C2C[C@@](C[C@H]2C[C@](C1=O)(C)C(=O)C)(C)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005690"}],"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(=O)[C@@]1(C)C[C@@H]2C[C@@](C)(CC2=C(C)C1=O)C(O)=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=VFTMSVNDYVXTOG-NZVBXONLSA-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":["Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Cyclohexenones","Hydrocarbon derivatives","Ketones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds"],"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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