{"id":7231,"npaid":"NPA007231","original_name":"Apiosporic acid","mol_formula":"C13H20O3","mol_weight":"224.3000","exact_mass":"224.1412","inchikey":"LQQYYLGWHXPFKQ-LZQZFOIKSA-N","smiles":"C[C@@H]1C=C[C@@H]2C[C@@H](CC[C@H]2[C@@H]1C(=O)O)CO","cluster_id":2345,"node_id":1850,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C13H20O3/c1-8-2-4-10-6-9(7-14)3-5-11(10)12(8)13(15)16/h2,4,8-12,14H,3,5-7H2,1H3,(H,15,16)/t8-,9-,10-,11-,12-/m1/s1","m_plus_h":"225.1485","m_plus_na":"247.1304","origin_reference":{"doi":"10.1021/np034061x","pmid":15217297,"authors":"Klemke, Christine; Kehraus, Stefan; Wright, Anthony D.; Koenig, Gabriele M.","title":"New secondary metabolites from the marine endophytic fungus Apiospora montagnei","journal":"Journal of Natural Products","year":2004,"volume":"67","issue":"6","pages":"1058-1063"},"origin_organism":{"id":3362,"type":"Fungus","genus":"Apiospora","species":"montagnei","taxon":{"id":1000,"name":"Apiospora","rank":"genus","taxon_db":"mycobank","external_id":"264","ncbi_id":1811811,"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":993,"name":"Xylariales","rank":"order","taxon_db":"mycobank","external_id":"90505","ncbi_id":37989},{"id":999,"name":"Apiosporaceae","rank":"family","taxon_db":"mycobank","external_id":"81935","ncbi_id":106263}]}},"syntheses":["10.1021/jo300519g"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np034061x","structure_smiles":"C[C@@H]1C=C[C@@H]2C[C@@H](CC[C@H]2[C@@H]1C(=O)O)CO","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005402"},{"external_db_name":"npmrd","external_db_code":"NP0043956"}],"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]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@@H]1C(O)=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=LQQYYLGWHXPFKQ-LZQZFOIKSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001205","name":"Carboxylic acids","chemont_id":"CHEMONTID:0001205","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Hydrocarbon derivatives","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Primary alcohols"],"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 carboxylic acids. 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