{"id":14015,"npaid":"NPA014015","original_name":"Erinacerin F","mol_formula":"C24H31NO7","mol_weight":"445.5120","exact_mass":"445.2101","inchikey":"WJNCJJUXKGZWSO-VVUSLALXSA-N","smiles":"CCC(C)[C@@H](C(=O)O)N1CC2=C(C(=C(C=C2C1=O)O)C/C=C(\\C)/CC/C=C(\\C)/C(=O)O)O","cluster_id":46,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C24H31NO7/c1-5-14(3)20(24(31)32)25-12-18-17(22(25)28)11-19(26)16(21(18)27)10-9-13(2)7-6-8-15(4)23(29)30/h8-9,11,14,20,26-27H,5-7,10,12H2,1-4H3,(H,29,30)(H,31,32)/b13-9+,15-8+/t14?,20-/m0/s1","m_plus_h":"446.2174","m_plus_na":"468.1993","origin_reference":{"doi":"10.1021/np5004388","pmid":25565282,"authors":"Wang, Kai; Bao, Li; Qi, Qiuyue; Zhao, Feng; Ma, Ke; Pei, Yunfei; Liu, Hongwei","title":"Erinacerins C-L, isoindolin-1-ones with α-glucosidase inhibitory activity from cultures of the medicinal mushroom hericium erinaceus","journal":"Journal of Natural Products","year":2015,"volume":"78","issue":"1","pages":"146-154"},"origin_organism":{"id":551,"type":"Fungus","genus":"Hericium","species":"erinaceus","taxon":{"id":1502,"name":"Hericium","rank":"genus","taxon_db":"mycobank","external_id":"17740","ncbi_id":40459,"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":1488,"name":"Russulales","rank":"order","taxon_db":"mycobank","external_id":"90569","ncbi_id":452342},{"id":1500,"name":"Hericiaceae","rank":"family","taxon_db":"mycobank","external_id":"80854","ncbi_id":40458}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np5004388","structure_smiles":"CCC(C)[C@@H](C(=O)O)N1CC2=C(C(=C(C=C2C1=O)O)C/C=C(\\C)/CC/C=C(\\C)/C(=O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013646"}],"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":"CCC(C)[C@H](N1CC2=C(O)C(C\\C=C(/C)CC\\C=C(/C)C(O)=O)=C(O)C=C2C1=O)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=WJNCJJUXKGZWSO-VVUSLALXSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Amino fatty acids","Aromatic monoterpenoids","Azacyclic compounds","Benzenoids","Bicyclic monoterpenoids","Branched fatty acids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dicarboxylic acids and derivatives","Fatty Acyls","Fatty acids and conjugates","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydroxy fatty acids","Isoindoles","Isoindoles and derivatives","Isoindolines","Isoindolones","Isoleucine and derivatives","Lactams","Lipids and lipid-like molecules","Medium-chain fatty acids","Methyl-branched fatty acids","Monoterpenoids","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenols","Prenol lipids","Tertiary carboxylic acid amides","Unsaturated fatty acids"],"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 isoleucine and derivatives. 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