{"id":7692,"npaid":"NPA007692","original_name":"1,4-di-O-acetyl hygrophorone E14","mol_formula":"C24H40O6","mol_weight":"424.5780","exact_mass":"424.2825","inchikey":"GBSJJHOHZCOVQW-ZKMFCFPVSA-N","smiles":"CCCCCCCCCCCCCCC(=O)C1([C@@H](C=CC1OC(=O)C)OC(=O)C)O","cluster_id":550,"node_id":492,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C24H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(27)24(28)22(29-19(2)25)17-18-23(24)30-20(3)26/h17-18,22-23,28H,4-16H2,1-3H3/t22-,23?,24?/m1/s1","m_plus_h":"425.2898","m_plus_na":"447.2717","origin_reference":{"doi":"10.1016/j.phytochem.2004.01.023","pmid":15110686,"authors":"Luebken, Tilo; Schmidt, Juergen; Porzel, Andrea; Arnold, Norbert; Wessjohann, Ludger","title":"Hygrophorones A-G: Fungicidal cyclopentenones from Hygrophorus species (Basidiomycetes)","journal":"Phytochemistry","year":2004,"volume":"65","issue":"8","pages":"1061-1071"},"origin_organism":{"id":621,"type":"Fungus","genus":"Hygrophorus","species":"persoonii","taxon":{"id":1469,"name":"Hygrophorus","rank":"genus","taxon_db":"mycobank","external_id":"17810","ncbi_id":71941,"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":1468,"name":"Hygrophoraceae","rank":"family","taxon_db":"mycobank","external_id":"804081","ncbi_id":51005}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.phytochem.2004.01.023","structure_smiles":"CCCCCCCCCCCCCCC(=O)C1([C@@H](C=CC1OC(=O)C)OC(=O)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005259"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"CCCCCCCCCCCCCCC(=O)C1(O)C(OC(C)=O)C=C[C@H]1OC(C)=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=GBSJJHOHZCOVQW-ZKMFCFPVSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000346","name":"Dicarboxylic acids and derivatives","chemont_id":"CHEMONTID:0000346","description":"Organic compounds containing exactly two carboxylic acid groups."},"ancestors":["Alcohols and polyols","Alpha-hydroxy ketones","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dicarboxylic acids and derivatives","Hydrocarbon derivatives","Ketones","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Tertiary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. 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