{"id":640,"npaid":"NPA000640","original_name":"Arecoic acid E","mol_formula":"C15H22O5","mol_weight":"282.3360","exact_mass":"282.1467","inchikey":"CEIDCYCXCMFPMO-OWLDWWDNSA-N","smiles":"CC1=C([C@]2(CCC[C@]([C@@H]2C[C@@H]1O)(C)C(=O)O)C)C(=O)O","cluster_id":471,"node_id":28,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H22O5/c1-8-9(16)7-10-14(2,11(8)12(17)18)5-4-6-15(10,3)13(19)20/h9-10,16H,4-7H2,1-3H3,(H,17,18)(H,19,20)/t9-,10+,14-,15-/m0/s1","m_plus_h":"283.1540","m_plus_na":"305.1359","origin_reference":{"doi":"10.1016/j.phytochem.2012.09.005","pmid":23079766,"authors":"Lee, Lin-Wen; Wang, Guei-Jane; Lin, Mei-Hsiang; Ju, Yu-Min; Lin, Yen-Wen; Chen, Fang-Yu; Lee, Tzong-Huei","title":"Isolation and characterization of sesquiterpenes from Arecophila saccharicola YMJ96022401 with NO production inhibitory activity","journal":"Phytochemistry","year":2013,"volume":"85","issue":null,"pages":"129-136"},"origin_organism":{"id":529,"type":"Fungus","genus":"Arecophila","species":"saccharicola YMJ96022401","taxon":{"id":1004,"name":"Arecophila","rank":"genus","taxon_db":"mycobank","external_id":"27653","ncbi_id":189360,"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":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":993,"name":"Xylariales","rank":"order","taxon_db":"mycobank","external_id":"90505","ncbi_id":37989}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.phytochem.2012.09.005","structure_smiles":"CC1=C([C@]2(CCC[C@]([C@@H]2C[C@@H]1O)(C)C(=O)O)C)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0011184"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"CC1=C(C(O)=O)[C@@]2(C)CCC[C@@](C)([C@@H]2C[C@@H]1O)C(O)=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=CEIDCYCXCMFPMO-OWLDWWDNSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000346","name":"Dicarboxylic acids and derivatives","chemont_id":"CHEMONTID:0000346","description":"Organic compounds containing exactly two carboxylic acid groups."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dicarboxylic acids and derivatives","Hydrocarbon derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. 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