{"id":19007,"npaid":"NPA019007","original_name":"Erinacerin O","mol_formula":"C19H28N2O6","mol_weight":"380.4410","exact_mass":"380.1947","inchikey":"XELPLZCCFQVOFX-AZOLZQDUSA-N","smiles":"CCC(C)[C@@H](C(=N[C@H](C(C)C)N1C=C(C(=O)C=C1CO)C(=O)C)C(=O)O)O","cluster_id":2426,"node_id":1907,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H28N2O6/c1-6-11(4)17(25)16(19(26)27)20-18(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](C(=N[C@H](C(C)C)N1C=C(C(=O)C=C1CO)C(=O)C)C(=O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0186970"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000472","name":"Hydroxy acids and derivatives","chemont_id":"CHEMONTID:0000472","description":"Compounds comprising one or more hydroxy acid groups."},"smiles":"[H]C(C)(CC)[C@]([H])(O)C(=N[C@]([H])(C(C)C)N1C=C(C(C)=O)C(=O)C=C1CO)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=XELPLZCCFQVOFX-AZOLZQDUSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000299","name":"Medium-chain hydroxy acids and derivatives","chemont_id":"CHEMONTID:0000299","description":"Hydroxy acids with a 6 to 12 carbon atoms long side chain."},"ancestors":["Alcohols and polyols","Amino fatty acids","Aromatic alcohols","Aryl alkyl ketones","Aryl ketones","Azacyclic compounds","Azomethines","Beta hydroxy acids and derivatives","Branched fatty acids","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Dihydropyridines","Fatty Acyls","Fatty acids and conjugates","Heteroaromatic compounds","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydropyridines","Hydroxy acids and derivatives","Hydroxy fatty acids","Imines","Ketimines","Ketones","Lipids and lipid-like molecules","Medium-chain fatty acids","Medium-chain hydroxy acids and derivatives","Methyl-branched fatty acids","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/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 medium-chain hydroxy acids and derivatives. 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