{"id":32970,"npaid":"NPA032970","original_name":"Lijiquinone","mol_formula":"C23H26O5","mol_weight":"382.4560","exact_mass":"382.1780","inchikey":"BHDQPLTWVHUKNN-YTSVOPRBSA-N","smiles":"CC[C@H](C)C(=O)C[C@]1(C)C(=O)C=C2C=C([C@H]3C(=O)C=CC[C@@H]3C)OC=C2C1=O","cluster_id":106,"node_id":101,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H26O5/c1-5-13(2)18(25)11-23(4)20(26)10-15-9-19(28-12-16(15)22(23)27)21-14(3)7-6-8-17(21)24/h6,8-10,12-14,21H,5,7,11H2,1-4H3/t13-,14-,21+,23+/m0/s1","m_plus_h":"383.1853","m_plus_na":"405.1672","origin_reference":{"doi":"10.1111/1751-7915.13568","pmid":32281262,"authors":"Cain, Jesse W.; Miller, Kristin I.; Kalaitzis, John A.; Chau, Rocky; Neilan, Brett A.","title":"Genome mining of a fungal endophyte of Taxus yunnanensis (Chinese yew) leads to the discovery of a novel azaphilone polyketide, lijiquinone","journal":"Microbial Biotechnology","year":2020,"volume":"13","issue":"5","pages":"1415-1427"},"origin_organism":{"id":10678,"type":"Fungus","genus":"Muyocopron","species":"f53 (F53)","taxon":{"id":1927,"name":"Muyocopron","rank":"genus","taxon_db":"mycobank","external_id":"3294","ncbi_id":null,"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":618,"name":"Dothideomycetes","rank":"class","taxon_db":"mycobank","external_id":"501481","ncbi_id":147541},{"id":769,"name":"Muyocopronales","rank":"order","taxon_db":"mycobank","external_id":"551615","ncbi_id":2576765},{"id":770,"name":"Muyocopronaceae","rank":"family","taxon_db":"mycobank","external_id":"804506","ncbi_id":1866852}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1111/1751-7915.13568","structure_smiles":"CC[C@H](C)C(=O)C[C@]1(C)C(=O)C=C2C=C([C@H]3C(=O)C=CC[C@@H]3C)OC=C2C1=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002255"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000259","name":"Prenol lipids","chemont_id":"CHEMONTID:0000259","description":"Lipids synthesized from the five-carbon-unit precursors isopentenyl diphosphate and dimethylallyl diphosphate."},"smiles":"CC[C@H](C)C(=O)C[C@]1(C)C(=O)C=C2C=C(OC=C2C1=O)[C@@H]1[C@@H](C)CC=CC1=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=BHDQPLTWVHUKNN-YTSVOPRBSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001550","name":"Sesquiterpenoids","chemont_id":"CHEMONTID:0001550","description":"Terpenes with three consecutive isoprene units."},"ancestors":["Acryloyl compounds","Alpha,beta-unsaturated carbonyl compounds","Alpha,beta-unsaturated ketones","Alpha-branched alpha,beta-unsaturated ketones","Carbonyl compounds","Chemical entities","Cyclic ketones","Cyclohexenones","Enones","Hydrocarbon derivatives","Ketones","Lipids and lipid-like molecules","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Prenol lipids","Pyrans","Sesquiterpenoids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as sesquiterpenoids. 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