{"id":14543,"npaid":"NPA014543","original_name":"4′-oxomacrophorin A","mol_formula":"C22H30O4","mol_weight":"358.4780","exact_mass":"358.2144","inchikey":"IEINAOONOAUQPK-XKRAJOFMSA-N","smiles":"C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C[C@]34[C@H](O3)C(=O)C(=CC4=O)CO)(C)C","cluster_id":246,"node_id":226,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H30O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,19,23H,1,5-9,11-12H2,2-4H3/t15-,16-,19+,21+,22-/m0/s1","m_plus_h":"359.2217","m_plus_na":"381.2036","origin_reference":{"doi":"10.1021/np010152n","pmid":11575965,"authors":"Fujimoto, H; Nakamura, E; Kim, Y P; Okuyama, E; Ishibashi, M; Sassa, T","title":"Immunomodulatory constituents from an Ascomycete, Eupenicillium crustaceum, and revised absolute structure of macrophorin D.","journal":"Journal of Natural Products","year":2001,"volume":"64","issue":"9","pages":"1234-1237"},"origin_organism":{"id":1603,"type":"Fungus","genus":"Eupenicillium","species":"crustaceum","taxon":{"id":1245,"name":"Eupenicillium","rank":"genus","taxon_db":"mycobank","external_id":"1933","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":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1240,"name":"Trichocomaceae","rank":"family","taxon_db":"mycobank","external_id":"81485","ncbi_id":28568}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np010152n","structure_smiles":"C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C[C@]34[C@H](O3)C(=O)C(=CC4=O)CO)(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001450"},{"external_db_name":"npmrd","external_db_code":"NP0003864"}],"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":"CC1(C)CCC[C@]2(C)[C@@H](C[C@@]34O[C@@H]3C(=O)C(CO)=CC4=O)C(=C)CC[C@@H]12","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=IEINAOONOAUQPK-XKRAJOFMSA-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":["Alcohols and polyols","Carbonyl compounds","Chemical entities","Cyclic ketones","Cyclohexenones","Dialkyl ethers","Epoxides","Ethers","Hydrocarbon derivatives","Ketones","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Primary 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 cyclohexenones. 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