{"id":19170,"npaid":"NPA019170","original_name":"Polisin C","mol_formula":"C12H20O3","mol_weight":"212.2890","exact_mass":"212.1412","inchikey":"OIJGATFXKKQLQB-MWGHHZFTSA-N","smiles":"C[C@@H]1CC[C@H](C[C@@H]1O)[C@]2(CCC(=O)O2)C","cluster_id":6193,"node_id":3168,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C12H20O3/c1-8-3-4-9(7-10(8)13)12(2)6-5-11(14)15-12/h8-10,13H,3-7H2,1-2H3/t8-,9-,10+,12-/m1/s1","m_plus_h":"213.1485","m_plus_na":"235.1304","origin_reference":{"doi":"10.1016/j.fitote.2013.08.023","pmid":24013036,"authors":"Wang, Shuang; Li, Zheng-Hui; Dong, Ze-Jun; Liu, Ji-Kai; Feng, Tao","title":"Norbisabolane and eremophilane sesquiterpenoids from cultures of the Basidiomycete Polyporus ellisii","journal":"Fitoterapia","year":2013,"volume":"91","issue":null,"pages":"194-198"},"origin_organism":{"id":1914,"type":"Fungus","genus":"Polyporus","species":"ellisii","taxon":{"id":1567,"name":"Polyporus","rank":"genus","taxon_db":"mycobank","external_id":"18334","ncbi_id":5637,"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":1548,"name":"Polyporaceae","rank":"family","taxon_db":"mycobank","external_id":"81203","ncbi_id":5317}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.fitote.2013.08.023","structure_smiles":"C[C@@H]1CC[C@H](C[C@@H]1O)[C@]2(CCC(=O)O2)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0012092"}],"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(C)CC[C@]([H])(C[C@]1([H])O)[C@@]1(C)CCC(=O)O1","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=OIJGATFXKKQLQB-MWGHHZFTSA-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","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclohexanols","Gamma butyrolactones","Hydrocarbon derivatives","Lactones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Secondary alcohols","Tetrahydrofurans"],"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 cyclohexanols. 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