{"id":5904,"npaid":"NPA005904","original_name":"Aspinotriol A","mol_formula":"C9H16O3","mol_weight":"172.2240","exact_mass":"172.1099","inchikey":"KWETYTFGFLMCQO-HGGYWPJWSA-N","smiles":"C[C@H](/C=C/C(=C/[C@H](C)O)/CO)O","cluster_id":1151,"node_id":984,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C9H16O3/c1-7(11)3-4-9(6-10)5-8(2)12/h3-5,7-8,10-12H,6H2,1-2H3/b4-3+,9-5-/t7-,8+/m1/s1","m_plus_h":"173.1172","m_plus_na":"195.0991","origin_reference":{"doi":"10.1021/np070301n","pmid":17994702,"authors":"Kito, Keijiro; Ookura, Ryuhei; Yoshida, Sanae; Namikoshi, Michio; Ooi, Takashi; Kusumi, Takenori","title":"Pentaketides Relating to Aspinonene and Dihydroaspyrone from a Marine-Derived Fungus,Aspergillus ostianus","journal":"Journal of Natural Products","year":2007,"volume":"70","issue":"12","pages":"2022-2025"},"origin_organism":{"id":1715,"type":"Fungus","genus":"Aspergillus","species":"ostianus","taxon":{"id":1237,"name":"Aspergillus","rank":"genus","taxon_db":"mycobank","external_id":"7248","ncbi_id":5052,"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":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np070301n","structure_smiles":"C[C@H](/C=C/C(=C/[C@H](C)O)/CO)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0007414"}],"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":"C[C@@H](O)\\C=C\\C(\\CO)=C\\[C@H](C)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=KWETYTFGFLMCQO-HGGYWPJWSA-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","Chemical entities","Fatty Acyls","Fatty alcohols","Hydrocarbon derivatives","Lipids and lipid-like molecules","Organic compounds","Organic oxygen compounds","Organooxygen compounds","Primary alcohols","Secondary 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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