{"id":10596,"npaid":"NPA010596","original_name":"Boydene B","mol_formula":"C16H24O4","mol_weight":"280.3640","exact_mass":"280.1675","inchikey":"PFWNRESYTOPAMA-WCVJEAGWSA-N","smiles":"CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CCC2=C)OC)O)C","cluster_id":2588,"node_id":959,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C16H24O4/c1-10(2)6-9-13-15(4,20-13)16(18)11(3)7-8-12(17)14(16)19-5/h6,13-14,18H,3,7-9H2,1-2,4-5H3/t13-,14-,15+,16+/m1/s1","m_plus_h":"281.1748","m_plus_na":"303.1567","origin_reference":{"doi":"10.1039/c4ob01494d","pmid":25319640,"authors":"Wu, Qi; Jiang, Nan; Bo Han, Wen; Ning Mei, Ya; Ming Ge, Hui; Kai Guo, Zhi; Seik Weng, Ng; Xiang Tan, Ren","title":"Antibacterial epipolythiodioxopiperazine and unprecedented sesquiterpene from Pseudallescheria boydii, a beetle (coleoptera)-associated fungus","journal":"Organic & Biomolecular Chemistry","year":2014,"volume":"12","issue":"46","pages":"9405-9412"},"origin_organism":{"id":863,"type":"Fungus","genus":"Pseudallescheria","species":"boydii","taxon":{"id":886,"name":"Pseudallescheria","rank":"genus","taxon_db":"mycobank","external_id":"4403","ncbi_id":5596,"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":880,"name":"Microascales","rank":"order","taxon_db":"mycobank","external_id":"90484","ncbi_id":5592},{"id":881,"name":"Microascaceae","rank":"family","taxon_db":"mycobank","external_id":"81001","ncbi_id":5593}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1039/c4ob01494d","structure_smiles":"CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CCC2=C)OC)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013402"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"[H][C@]1(CC=C(C)C)O[C@]1(C)[C@]1(O)C(=C)CCC(=O)[C@@]1([H])OC","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=PFWNRESYTOPAMA-WCVJEAGWSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000129","name":"Alcohols and polyols","chemont_id":"CHEMONTID:0000129","description":"Organic compounds in which at least one hydroxyl functional group (-OH) is bound to a carbon atom, usually connected to other carbon or hydrogen atoms."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Chemical entities","Cyclic alcohols and derivatives","Cyclic ketones","Dialkyl ethers","Epoxides","Ethers","Hydrocarbon derivatives","Ketones","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Tertiary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as tertiary alcohols. 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