{"id":18005,"npaid":"NPA018005","original_name":"Atpenin B","mol_formula":"C15H23NO5","mol_weight":"297.3510","exact_mass":"297.1576","inchikey":"UQWHXKHYKUVKKD-UHFFFAOYSA-N","smiles":"CCC(C)CC(C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O","cluster_id":3709,"node_id":2790,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H23NO5/c1-6-8(2)7-9(3)11(17)10-12(18)13(20-4)15(21-5)16-14(10)19/h8-9H,6-7H2,1-5H3,(H2,16,18,19)","m_plus_h":"298.1649","m_plus_na":"320.1468","origin_reference":{"doi":"10.7164/antibiotics.41.1769","pmid":3209470,"authors":"Omura, S; Tomoda, H; Kimura, K; Zhen, D Z; Kumagai, H; Igarashi, K; Imamura, N; Takahashi, Y; Tanaka, Y; Iwai, Y","title":"Atpenins, new antifungal antibiotics produced by Penicillium sp. Production, isolation, physico-chemical and biological properties","journal":"Journal of Antibiotics","year":1988,"volume":"41","issue":"12","pages":"1769-1773"},"origin_organism":{"id":3898,"type":"Bacterium","genus":"Streptomyces","species":"sp.","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.41.1769","structure_smiles":"CCC(C)CC(C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002067"},{"external_db_name":"npmrd","external_db_code":"NP0021043"}],"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(C)(CC)CC([H])(C)C(=O)C1=C(O)C(OC)=C(OC)N=C1O","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=UQWHXKHYKUVKKD-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},"ancestors":["Alkyl aryl ethers","Aryl alkyl ketones","Aryl ketones","Azacyclic compounds","Carbonyl compounds","Chemical entities","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxypyridines","Ketones","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Pyridines and derivatives","Vinylogous acids"],"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 aryl alkyl ketones. 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