{"id":11763,"npaid":"NPA011763","original_name":"Multiplolide A","mol_formula":"C10H14O5","mol_weight":"214.2170","exact_mass":"214.0841","inchikey":"GSXXKILAEILYRX-JRSSMJHLSA-N","smiles":"C[C@@H]1C[C@@H](O)[C@@H](O)/C=C/[C@@H]2O[C@@H]2C(=O)O1","cluster_id":4504,"node_id":3295,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C10H14O5/c1-5-4-7(12)6(11)2-3-8-9(15-8)10(13)14-5/h2-3,5-9,11-12H,4H2,1H3/b3-2+/t5-,6+,7-,8+,9+/m1/s1","m_plus_h":"215.0914","m_plus_na":"237.0733","origin_reference":{"doi":"10.1021/np000291p","pmid":11473437,"authors":"Boonphong; Kittakoop; Isaka; Pittayakhajonwut; Tanticharoen; Thebtaranonth","title":"Multiplolides A and B, new antifungal 10-membered lactones from Xylaria multiplex","journal":"Journal of Natural Products","year":2001,"volume":"64","issue":"7","pages":"965-967"},"origin_organism":{"id":4349,"type":"Fungus","genus":"Xylaria","species":"multiplex (BCC 1111)","taxon":{"id":1016,"name":"Xylaria","rank":"genus","taxon_db":"mycobank","external_id":"5832","ncbi_id":37991,"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":1005,"name":"Xylariaceae","rank":"family","taxon_db":"mycobank","external_id":"81528","ncbi_id":37990}]}},"syntheses":["10.1021/jo7027568"],"reassignments":[{"reference_doi":"10.1021/jo7027568","structure_smiles":"C[C@@H]1C[C@@H](O)[C@@H](O)/C=C/[C@@H]2O[C@@H]2C(=O)O1"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.1021/np000291p","structure_smiles":"C[C@@H]1C[C@H]([C@H](/C=C/C2C(O2)C(=O)O1)O)O","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/jo7027568","structure_smiles":"C[C@@H]1C[C@@H](O)[C@@H](O)/C=C/[C@@H]2O[C@@H]2C(=O)O1","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003771"},{"external_db_name":"npmrd","external_db_code":"NP0264090"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000050","name":"Lactones","chemont_id":"CHEMONTID:0000050","description":"Cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring."},"smiles":"C[C@@H]1C[C@@H](O)[C@@H](O)\\C=C\\C2OC2C(=O)O1","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=GSXXKILAEILYRX-OISAZYHWSA-N","subclass":null,"ancestors":["1,2-diols","Alcohols and polyols","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Epoxides","Ethers","Hydrocarbon derivatives","Lactones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Polyols","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as lactones. 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