{"id":4781,"npaid":"NPA004781","original_name":"Erinacerin N","mol_formula":"C19H28N2O6","mol_weight":"380.4410","exact_mass":"380.1947","inchikey":"RWZAFFUQHQDREK-AZOLZQDUSA-N","smiles":"CCC(C)[C@@H](N=C([C@H](C(C)C)O)C(=O)O)N1C=C(C(=O)C=C1CO)C(=O)C","cluster_id":2426,"node_id":1907,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H28N2O6/c1-6-11(4)18(20-16(19(26)27)17(25)10(2)3)21-8-14(12(5)23)15(24)7-13(21)9-22/h7-8,10-11,17-18,22,25H,6,9H2,1-5H3,(H,26,27)/t11?,17-,18-/m0/s1","m_plus_h":"381.2020","m_plus_na":"403.1839","origin_reference":{"doi":"10.1016/j.tet.2015.10.068","pmid":null,"authors":"Wang, Kai; Bao, Li; Ma, Ke; Liu, Ning; Huang, Ying; Ren, Jinwei; Wang, Wenzhao; Liu, Hongwei","title":"Eight new alkaloids with PTP1B and α-glucosidase inhibitory activities from the medicinal mushroom Hericium erinaceus","journal":"Tetrahedron","year":2015,"volume":"71","issue":"51","pages":"9557-9563"},"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":"10.1016/j.tet.2015.10.068","structure_smiles":"CCC(C)[C@@H](N=C([C@H](C(C)C)O)C(=O)O)N1C=C(C(=O)C=C1CO)C(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0299971"}],"classyfire":{"class":{"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."},"smiles":"[H]C(C)(CC)[C@@]([H])(N=C(C(O)=O)[C@@]([H])(O)C(C)C)N1C=C(C(C)=O)C(=O)C=C1CO","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=RWZAFFUQHQDREK-AZOLZQDUSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},"ancestors":["Alcohols and polyols","Aromatic alcohols","Aryl alkyl ketones","Aryl ketones","Azacyclic compounds","Azomethines","Beta hydroxy acids and derivatives","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Dihydropyridines","Heteroaromatic compounds","Hydrocarbon derivatives","Hydropyridines","Hydroxy acids and derivatives","Imines","Ketimines","Ketones","Monocarboxylic acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Pyridines and derivatives","Secondary alcohols","Secondary ketimines","Vinylogous amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as aryl alkyl ketones. 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