{"id":15845,"npaid":"NPA015845","original_name":"Greensporone G","mol_formula":"C19H24O6","mol_weight":"348.3950","exact_mass":"348.1573","inchikey":"AAIPZLYIUASOAH-KNXALSJPSA-N","smiles":"C[C@H]1CC[C@H]2CC[C@@H](O2)CC(=O)CC3=CC(=CC(=C3C(=O)O1)OC)O","cluster_id":22,"node_id":21,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H24O6/c1-11-3-4-15-5-6-16(25-15)9-13(20)7-12-8-14(21)10-17(23-2)18(12)19(22)24-11/h8,10-11,15-16,21H,3-7,9H2,1-2H3/t11-,15-,16+/m0/s1","m_plus_h":"349.1646","m_plus_na":"371.1465","origin_reference":{"doi":"10.1021/np500497r","pmid":25093280,"authors":"El-Elimat, Tamam; Raja, Huzefa A.; Day, Cynthia S.; Chen, Wei-Lun; Swanson, Steven M.; Oberlies, Nicholas H.","title":"Greensporones: Resorcylic acid lactones from an aquatic halenospora sp","journal":"Journal of Natural Products","year":2014,"volume":"77","issue":"9","pages":"2088-2098"},"origin_organism":{"id":985,"type":"Fungus","genus":"Halenospora","species":"sp.","taxon":{"id":1184,"name":"Halenospora","rank":"genus","taxon_db":"mycobank","external_id":"513077","ncbi_id":1432242,"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":1150,"name":"Leotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501487","ncbi_id":147548},{"id":1154,"name":"Helotiales","rank":"order","taxon_db":"mycobank","external_id":"90751","ncbi_id":5178},{"id":1183,"name":"Leotiaceae","rank":"family","taxon_db":"mycobank","external_id":"80941","ncbi_id":186569}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np500497r","structure_smiles":"C[C@H]1CC[C@H]2CC[C@@H](O2)CC(=O)CC3=CC(=CC(=C3C(=O)O1)OC)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013183"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002341","name":"Phenol ethers","chemont_id":"CHEMONTID:0002341","description":"Aromatic compounds containing an ether group substituted with a benzene ring."},"smiles":"COc1cc(O)cc2CC(=O)C[C@H]3CC[C@H](CC[C@H](C)OC(=O)c12)O3","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=AAIPZLYIUASOAH-KNXALSJPSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000138","name":"Anisoles","chemont_id":"CHEMONTID:0000138","description":"Organic compounds containing a methoxybenzene or a derivative thereof."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alkyl aryl ethers","Anisoles","Benzenoids","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Dialkyl ethers","Ethers","Hydrocarbon derivatives","Ketones","Lactones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenol ethers","Phenols","Tetrahydrofurans"],"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 anisoles. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["aromatic ether (CHEBI:35618)","phenols (CHEBI:33853)","oxolanes (CHEBI:26912)","lactone (CHEBI:25000)","cyclic ketone (CHEBI:3992)","carboxylic ester (CHEBI:33308)","oxacycle (CHEBI:38104)","carbonyl compound (CHEBI:36586)","ether (CHEBI:25698)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","methoxybenzene (CHEBI:51683)","chemical entity (CHEBI:24431)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","benzenoid aromatic compound (CHEBI:33836)","organic heterocyclic compound (CHEBI:24532)","ketone (CHEBI:17087)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Zearalenones"],"pathway_results":["Polyketides"],"superclass_results":["Macrolides"]}}