{"id":6752,"npaid":"NPA006752","original_name":"Flagranone C","mol_formula":"C16H16O8","mol_weight":"336.2960","exact_mass":"336.0845","inchikey":"HSTGWHJVZDXYFE-XBXARRHUSA-N","smiles":"C/C(=C\\C(C12C(O1)C(=O)C(=CC2=O)COC(=O)C)OC(=O)C)/C=O","cluster_id":123,"node_id":117,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C16H16O8/c1-8(6-17)4-13(23-10(3)19)16-12(20)5-11(7-22-9(2)18)14(21)15(16)24-16/h4-6,13,15H,7H2,1-3H3/b8-4+","m_plus_h":"337.0918","m_plus_na":"359.0737","origin_reference":{"doi":"10.7164/antibiotics.52.1023","pmid":10656575,"authors":"ANDERSON, M. G.; RICKARDS, R. W.; LACEY, E.","title":"Structures of Flagranones A, B and C, Cyclohexenoxide Antibiotics from the Nematode-trapping Fungus Duddingtonia flagrans","journal":"Journal of Antibiotics","year":1999,"volume":"52","issue":"11","pages":"1023-1028"},"origin_organism":{"id":136,"type":"Fungus","genus":"Duddingtonia","species":"flagrans","taxon":{"id":1299,"name":"Duddingtonia","rank":"genus","taxon_db":"mycobank","external_id":"8111","ncbi_id":null,"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":1295,"name":"Orbiliomycetes","rank":"class","taxon_db":"mycobank","external_id":"501492","ncbi_id":189478},{"id":1296,"name":"Orbiliales","rank":"order","taxon_db":"mycobank","external_id":"501529","ncbi_id":189479},{"id":1297,"name":"Orbiliaceae","rank":"family","taxon_db":"mycobank","external_id":"81091","ncbi_id":47021}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.52.1023","structure_smiles":"C/C(=C\\C(C12C(O1)C(=O)C(=CC2=O)COC(=O)C)OC(=O)C)/C=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003144"}],"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)OCC1=CC(=O)C2(OC2C1=O)C(OC(C)=O)\\C=C(/C)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=HSTGWHJVZDXYFE-XBXARRHUSA-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":["Aldehydes","Alpha,beta-unsaturated aldehydes","Alpha,beta-unsaturated carbonyl compounds","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Cyclohexenones","Dialkyl ethers","Dicarboxylic acids and derivatives","Enals","Epoxides","Ethers","Hydrocarbon derivatives","Ketones","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic 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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