{"id":19748,"npaid":"NPA019748","original_name":"6-Hydroxy-4-oxohexyl acetate","mol_formula":"C8H14O4","mol_weight":"174.1960","exact_mass":"174.0892","inchikey":"DMZIZFTYGQIAMJ-UHFFFAOYSA-N","smiles":"CC(=O)OCCCC(=O)CCO","cluster_id":2193,"node_id":1746,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C8H14O4/c1-7(10)12-6-2-3-8(11)4-5-9/h9H,2-6H2,1H3","m_plus_h":"175.0965","m_plus_na":"197.0784","origin_reference":{"doi":"10.1016/s1875-5364(10)60011-8","pmid":null,"authors":"LIU, Rong; ZHOU, Zhong-Yu; LIU, Ji-Kai","title":"Three New Keto Esters from Cultures of the Basidiomycete Craterellus cornucopioides","journal":"Chinese Journal of Natural Medicines","year":2010,"volume":"8","issue":"2","pages":"88-90"},"origin_organism":{"id":2876,"type":"Fungus","genus":"Craterellus","species":"cornucopioides","taxon":{"id":1622,"name":"Craterellus","rank":"genus","taxon_db":"mycobank","external_id":"17398","ncbi_id":57197,"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":1617,"name":"Cantharellales","rank":"order","taxon_db":"mycobank","external_id":"90531","ncbi_id":36064},{"id":1621,"name":"Cantharellaceae","rank":"family","taxon_db":"mycobank","external_id":"80552","ncbi_id":57201}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/s1875-5364(10)60011-8","structure_smiles":"CC(=O)OCCCC(=O)CCO","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0268000"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003909","name":"Fatty Acyls","chemont_id":"CHEMONTID:0003909","description":"Organic molecules synthesized by chain elongation of an acetyl-CoA primer with malonyl-CoA (or methylmalonyl-CoA) groups that might contain a cyclic functionality and/or are substituted with heteroatoms."},"smiles":"CC(=O)OCCCC(=O)CCO","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=DMZIZFTYGQIAMJ-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001334","name":"Fatty alcohols","chemont_id":"CHEMONTID:0001334","description":"Aliphatic alcohols consisting of a chain of a least six carbon atoms."},"ancestors":["Alcohols and polyols","Beta-hydroxy ketones","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty alcohols","Hydrocarbon derivatives","Ketones","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Primary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as fatty alcohols. 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