{"id":17931,"npaid":"NPA017931","original_name":"Kynapcin-13","mol_formula":"C12H10O7","mol_weight":"266.2050","exact_mass":"266.0427","inchikey":"CGSINLRWTHVPKP-UHFFFAOYSA-N","smiles":"COC(=O)C1=C(OC2=CC(=C(C=C21)O)O)C(=O)OC","cluster_id":914,"node_id":791,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C12H10O7/c1-17-11(15)9-5-3-6(13)7(14)4-8(5)19-10(9)12(16)18-2/h3-4,13-14H,1-2H3","m_plus_h":"267.0500","m_plus_na":"289.0319","origin_reference":{"doi":"10.7164/antibiotics.55.623","pmid":12243451,"authors":"Kim, Sang-In; Park, In-Hye; Song, Kyung-Sik","title":"Kynapcin-13 and -28, new benzofuran prolyl endopeptidase inhibitors from Polyozellus multiplex","journal":"Journal of Antibiotics","year":2002,"volume":"55","issue":"7","pages":"623-628"},"origin_organism":{"id":1039,"type":"Fungus","genus":"Polyozellus","species":"multiplex","taxon":{"id":1610,"name":"Polyozellus","rank":"genus","taxon_db":"mycobank","external_id":"18327","ncbi_id":281718,"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":1603,"name":"Thelephorales","rank":"order","taxon_db":"mycobank","external_id":"90575","ncbi_id":56487},{"id":1609,"name":"Thelephoraceae","rank":"family","taxon_db":"mycobank","external_id":"81463","ncbi_id":56488}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.55.623","structure_smiles":"COC(=O)C1=C(OC2=CC(=C(C=C21)O)O)C(=O)OC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0004325"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000301","name":"Benzofurans","chemont_id":"CHEMONTID:0000301","description":"Organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom."},"smiles":"COC(=O)C1=C(C(=O)OC)C2=CC(O)=C(O)C=C2O1","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=CGSINLRWTHVPKP-UHFFFAOYSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Benzenoids","Benzofurans","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dicarboxylic acids and derivatives","Furan-3-carboxylic acid and derivatives","Furan-3-carboxylic acid esters","Furans","Furoic acid and derivatives","Furoic acid esters","Heteroaromatic compounds","Hydrocarbon derivatives","Methyl esters","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Phenols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.","substituents":["Furoic acid ester","Benzofuran","Furoic acid or derivatives","Furan-3-carboxylic acid ester","Furan-3-carboxylic acid or derivatives","1-hydroxy-2-unsubstituted benzenoid","Phenol","Benzenoid","Furan","Heteroaromatic compound","Methyl ester","Carboxylic acid ester","Carboxylic acid derivative","Oxacycle","Hydrocarbon derivative","Organic oxide","Organooxygen compound","Organic oxygen compound","Aromatic heteropolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000301","name":"Benzofurans","chemont_id":"CHEMONTID:0000301","description":"Organic compounds containing a benzene ring fused to a furan. 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They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004144","name":"Heteroaromatic compounds","chemont_id":"CHEMONTID:0004144","description":"Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004140","name":"Oxacyclic compounds","chemont_id":"CHEMONTID:0004140","description":"Organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon."},{"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."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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