{"id":9969,"npaid":"NPA009969","original_name":"Applanatumol J","mol_formula":"C15H15ClO6","mol_weight":"326.7320","exact_mass":"326.0557","inchikey":"TXJDUJRYAVNVFX-NWANDNLSSA-N","smiles":"C1C[C@]2(C(=O)OC[C@]2([C@H]1O)Cl)CC(=O)C3=C(C=CC(=C3)O)O","cluster_id":356,"node_id":321,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H15ClO6/c16-15-7-22-13(21)14(15,4-3-12(15)20)6-11(19)9-5-8(17)1-2-10(9)18/h1-2,5,12,17-18,20H,3-4,6-7H2/t12-,14+,15+/m0/s1","m_plus_h":"327.0630","m_plus_na":"349.0449","origin_reference":{"doi":"10.1016/j.tet.2016.06.019","pmid":null,"authors":"Luo, Qi; Yang, Xiao-Hua; Yang, Zhu-Liang; Tu, Zheng-Chao; Cheng, Yong-Xian","title":"Miscellaneous meroterpenoids from Ganoderma applanatum","journal":"Tetrahedron","year":2016,"volume":"72","issue":"30","pages":"4564-4574"},"origin_organism":{"id":106,"type":"Fungus","genus":"Ganoderma","species":"applanatum","taxon":{"id":1515,"name":"Ganoderma","rank":"genus","taxon_db":"mycobank","external_id":"17639","ncbi_id":5314,"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":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1512,"name":"Ganodermataceae","rank":"family","taxon_db":"mycobank","external_id":"80782","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.tet.2016.06.019","structure_smiles":"C1C[C@]2(C(=O)OC[C@]2([C@H]1O)Cl)CC(=O)C3=C(C=CC(=C3)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0269890"}],"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(O)CC[C@@]2(CC(=O)C3=C(O)C=CC(O)=C3)C(=O)OC[C@@]12Cl","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=TXJDUJRYAVNVFX-NWANDNLSSA-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":["1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Alkyl chlorides","Alkyl halides","Alkyl-phenylketones","Aryl alkyl ketones","Aryl ketones","Benzene and substituted derivatives","Benzenediols","Benzenoids","Benzoyl derivatives","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Chlorohydrins","Cyclic alcohols and derivatives","Gamma butyrolactones","Halohydrins","Hydrocarbon derivatives","Hydroquinones","Ketones","Lactones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenols","Phenylketones","Secondary alcohols","Tetrahydrofurans","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 alkyl-phenylketones. 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