{"id":9602,"npaid":"NPA009602","original_name":"Pleurone","mol_formula":"C4H2O4","mol_weight":"114.0560","exact_mass":"113.9953","inchikey":"AHSQQRNJXRQXFN-UHFFFAOYSA-N","smiles":"C1=COC(=O)OC1=O","cluster_id":3961,"node_id":2955,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C4H2O4/c5-3-1-2-7-4(6)8-3/h1-2H","m_plus_h":"115.0026","m_plus_na":"136.9845","origin_reference":{"doi":"10.1038/ja.2011.47","pmid":21673713,"authors":"Lee, Ik-Soo; Ryoo, In-Ja; Kwon, Kyong-Yeal; Ahn, Jong Seog; Yoo, Ick-Dong","title":"Pleurone, a novel human neutrophil elastase inhibitor from the fruiting bodies of the mushroom Pleurotus eryngii var. ferulae","journal":"Journal of Antibiotics","year":2011,"volume":"64","issue":"8","pages":"587-589"},"origin_organism":{"id":189,"type":"Fungus","genus":"Pleurotus","species":"eryngii","taxon":{"id":1467,"name":"Pleurotus","rank":"genus","taxon_db":"mycobank","external_id":"18308","ncbi_id":5320,"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":1465,"name":"Pleurotaceae","rank":"family","taxon_db":"mycobank","external_id":"81191","ncbi_id":104366}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1038/ja.2011.47","structure_smiles":"C1=COC(=O)OC1=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0010108"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000364","name":"Organic carbonic acids and derivatives","chemont_id":"CHEMONTID:0000364","description":"Compounds comprising the organic carbonic acid or a derivative thereof."},"smiles":"O=C1OC=CC(=O)O1","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=AHSQQRNJXRQXFN-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001611","name":"Carbonic acid diesters","chemont_id":"CHEMONTID:0001611","description":"Compounds comprising the carbonic acid diester functional group."},"ancestors":["Carbonic acid diesters","Chemical entities","Heteroaromatic compounds","Hydrocarbon derivatives","Lactones","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds"],"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 carbonic acid diesters. 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