{"id":18030,"npaid":"NPA018030","original_name":"Decaspirone B","mol_formula":"C22H20O6","mol_weight":"380.3960","exact_mass":"380.1260","inchikey":"FRGSTJNRJXFGJS-NUJXGAOPSA-N","smiles":"CC(=O)O[C@H]1C=C[C@H]([C@@H]2[C@@H]1[C@H](C=CC23OC4=CC=CC5=C4C(=CC=C5)O3)O)O","cluster_id":339,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H20O6/c1-12(23)26-16-9-8-15(25)21-20(16)14(24)10-11-22(21)27-17-6-2-4-13-5-3-7-18(28-22)19(13)17/h2-11,14-16,20-21,24-25H,1H3/t14-,15+,16-,20+,21+/m0/s1","m_plus_h":"381.1333","m_plus_na":"403.1152","origin_reference":{"doi":"10.1021/np060385k","pmid":17190439,"authors":"Jiao, Ping; Swenson, Dale C.; Gloer, James B.; Campbell, Jinx; Shearer, Carol A.","title":"Decaspirones A-E, bioactive spirodioxynaphthalenes from the freshwater aquatic fungus Decaisnella thyridioides","journal":"Journal of Natural Products","year":2006,"volume":"69","issue":"12","pages":"1667-1671"},"origin_organism":{"id":4833,"type":"Fungus","genus":"Decaisnella","species":"thyridioides","taxon":{"id":1257,"name":"Decaisnella","rank":"genus","taxon_db":"mycobank","external_id":"1434","ncbi_id":679176,"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":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1255,"name":"Pyrenulales","rank":"order","taxon_db":"mycobank","external_id":"90497","ncbi_id":100121},{"id":1256,"name":"Massariaceae","rank":"family","taxon_db":"mycobank","external_id":"80978","ncbi_id":45311}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np060385k","structure_smiles":"CC(=O)O[C@H]1C=C[C@H]([C@@H]2[C@@H]1[C@H](C=CC23OC4=CC=CC5=C4C(=CC=C5)O3)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0006699"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000023","name":"Naphthalenes","chemont_id":"CHEMONTID:0000023","description":"Compounds containing a naphthalene moiety, which consists of two fused benzene rings."},"smiles":"CC(=O)O[C@H]1C=C[C@@H](O)[C@@H]2[C@@H]1[C@@H](O)C=CC21OC2=CC=CC3=C2C(O1)=CC=C3","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=FRGSTJNRJXFGJS-NUJXGAOPSA-N","subclass":null,"ancestors":["Acetals","Alcohols and polyols","Benzenoids","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Ethers","Hydrocarbon derivatives","Ketals","Monocarboxylic acids and derivatives","Naphthalenes","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as naphthalenes. 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