{"id":3291,"npaid":"NPA003291","original_name":"Cytospolide N","mol_formula":"C17H28O7","mol_weight":"344.4040","exact_mass":"344.1835","inchikey":"AXMYBKVKZPWGTH-BAGFCZJQSA-N","smiles":"C[C@@H]1[C@@H]([C@H]([C@H]2CC[C@H](O2)[C@H](OC1=O)CCCCCOC(=O)C)O)O","cluster_id":1222,"node_id":1038,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C17H28O7/c1-10-15(19)16(20)14-8-7-13(23-14)12(24-17(10)21)6-4-3-5-9-22-11(2)18/h10,12-16,19-20H,3-9H2,1-2H3/t10-,12-,13+,14-,15+,16+/m1/s1","m_plus_h":"345.1908","m_plus_na":"367.1727","origin_reference":{"doi":"10.1021/jo201755v","pmid":22011230,"authors":"Lu, Shan; Sun, Peng; Li, Tiejun; Kurtan, Tibor; Mandi, Attila; Antus, Sandor; Krohn, Karsten; Draeger, Siegfried; Schulz, Barbara; Yi, Yanghua; Li, Ling; Zhang, Wen","title":"Bioactive nonanolide derivatives isolated from the endophytic fungus Cytospora sp","journal":"Journal of Organic Chemistry","year":2011,"volume":"76","issue":"23","pages":"9699-9710"},"origin_organism":{"id":1004,"type":"Fungus","genus":"Cytospora","species":"sp.","taxon":{"id":1086,"name":"Cytospora","rank":"genus","taxon_db":"mycobank","external_id":"7904","ncbi_id":117544,"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":1074,"name":"Diaporthales","rank":"order","taxon_db":"mycobank","external_id":"90468","ncbi_id":5114},{"id":1085,"name":"Cytosporaceae","rank":"family","taxon_db":"mycobank","external_id":"82042","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/jo201755v","structure_smiles":"C[C@@H]1[C@@H]([C@H]([C@H]2CC[C@H](O2)[C@H](OC1=O)CCCCCOC(=O)C)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0010444"}],"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":"C[C@@H]1[C@H](O)[C@@H](O)[C@H]2CC[C@H](O2)[C@@H](CCCCCOC(C)=O)OC1=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=AXMYBKVKZPWGTH-BAGFCZJQSA-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":["1,2-diols","Alcohols and polyols","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Dicarboxylic acids and derivatives","Ethers","Hydrocarbon derivatives","Lactones","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Polyols","Secondary alcohols","Tetrahydrofurans"],"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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