{"id":9423,"npaid":"NPA009423","original_name":"Clavilactone D","mol_formula":"C16H15NO5","mol_weight":"301.2980","exact_mass":"301.0950","inchikey":"JPXJOSVTNUCCKM-YCWOYDOZSA-N","smiles":"C/C1=C/CC[C@@]23O[C@@H]2[C@H](OC3=O)C2=C(C1)C(=O)C=C(N)C2=O","cluster_id":3902,"node_id":2916,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C16H15NO5/c1-7-3-2-4-16-14(22-16)13(21-15(16)20)11-8(5-7)10(18)6-9(17)12(11)19/h3,6,13-14H,2,4-5,17H2,1H3/b7-3-/t13-,14-,16-/m1/s1","m_plus_h":"302.1023","m_plus_na":"324.0842","origin_reference":{"doi":"10.1016/s0031-9422(99)00506-3","pmid":null,"authors":"Merlini, Lucio; Nasini, Gianluca; Scaglioni, Leonardo; Cassinelli, Giuliana; Lanzi, Cinzia","title":"Structure elucidation of clavilactone D: An inhibitor of protein tyrosine kinases","journal":"Phytochemistry","year":2000,"volume":"53","issue":"8","pages":"1039-1041"},"origin_organism":{"id":790,"type":"Fungus","genus":"Clitocybe","species":"clavipes","taxon":{"id":1428,"name":"Clitocybe","rank":"genus","taxon_db":"mycobank","external_id":"17328","ncbi_id":50966,"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":1426,"name":"Tricholomataceae","rank":"family","taxon_db":"mycobank","external_id":"80877","ncbi_id":5351}]}},"syntheses":["10.1021/acs.joc.7b00693"],"reassignments":[{"reference_doi":"10.1021/acs.joc.7b00693","structure_smiles":"C/C1=C/CC[C@@]23O[C@@H]2[C@H](OC3=O)C2=C(C1)C(=O)C=C(N)C2=O"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.1016/s0031-9422(99)00506-3","structure_smiles":"C/C/1=C/CC[C@@]23[C@@H](O2)[C@H](C4=C(C1)C(=O)C(=O)C=C4O)OC3=O","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/acs.joc.7b00693","structure_smiles":"C/C1=C/CC[C@@]23O[C@@H]2[C@H](OC3=O)C2=C(C1)C(=O)C=C(N)C2=O","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0305082"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000368","name":"Dioxanes","chemont_id":"CHEMONTID:0000368","description":"Compounds containing a dioxane ring, which is a six-membered saturated ring of two oxygen atoms and four carbon atoms. 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