{"id":4349,"npaid":"NPA004349","original_name":"Fujikurin D","mol_formula":"C12H18O4","mol_weight":"226.2720","exact_mass":"226.1205","inchikey":"HRHXOJYXAMLRQF-MDZDMXLPSA-N","smiles":"CCC(C)/C(=C\\1/C(=O)C(C(OC1=O)C)C)/O","cluster_id":2268,"node_id":324,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C12H18O4/c1-5-6(2)10(13)9-11(14)7(3)8(4)16-12(9)15/h6-8,13H,5H2,1-4H3/b10-9+","m_plus_h":"227.1278","m_plus_na":"249.1097","origin_reference":{"doi":"10.1021/np5008137","pmid":26192387,"authors":"Von Bargen, Katharina Walburga; Niehaus, Eva-Maria; Krug, Isabel; Bergander, Klaus; Würthwein, Ernst-Ulrich; Tudzynski, Bettina; Humpf, Hans-Ulrich","title":"Isolation and Structure Elucidation of Fujikurins A-D: Products of the PKS19 Gene Cluster in Fusarium fujikuroi","journal":"Journal of Natural Products","year":2015,"volume":"78","issue":"8","pages":"1809-1815"},"origin_organism":{"id":401,"type":"Fungus","genus":"Fusarium","species":"fujikuroi","taxon":{"id":927,"name":"Fusarium","rank":"genus","taxon_db":"mycobank","external_id":"8284","ncbi_id":5506,"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":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125},{"id":921,"name":"Nectriaceae","rank":"family","taxon_db":"mycobank","external_id":"81059","ncbi_id":110618}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np5008137","structure_smiles":"CCC(C)/C(=C\\1/C(=O)C(C(OC1=O)C)C)/O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001305"},{"external_db_name":"npmrd","external_db_code":"NP0014429"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000050","name":"Lactones","chemont_id":"CHEMONTID:0000050","description":"Cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring."},"smiles":"CCC(C)C(\\O)=C1/C(=O)OC(C)C(C)C1=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=HRHXOJYXAMLRQF-MDZDMXLPSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001244","name":"Delta valerolactones","chemont_id":"CHEMONTID:0001244","description":"Cyclic organic compounds containing an oxan-2- one moiety."},"ancestors":["Alpha,beta-unsaturated carboxylic esters","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Delta valerolactones","Enoate esters","Enols","Hydrocarbon derivatives","Ketones","Lactones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","Vinylogous acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as delta valerolactones. 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