{"id":19766,"npaid":"NPA019766","original_name":"Agaridoxin","mol_formula":"C11H14N2O5","mol_weight":"254.2420","exact_mass":"254.0903","inchikey":"HJLNKWYSKFDHDG-ZETCQYMHSA-N","smiles":"C1=CC(=C(C=C1NC(=O)CC[C@@H](C(=O)O)N)O)O","cluster_id":5091,"node_id":496,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C11H14N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,14-15H,2,4,12H2,(H,13,16)(H,17,18)/t7-/m0/s1","m_plus_h":"255.0976","m_plus_na":"277.0795","origin_reference":{"doi":"10.1021/jo00871a027","pmid":944247,"authors":"Szent-Gyorgyi, A; Chung, R H; Boyajian, M J; Tishler, M; Arison, B H; Schoenewaldt, E F; Wittick, J J","title":"Agaridoxin, a mushroom metabolite. Isolation, structure, and synthesis","journal":"Journal of Organic Chemistry","year":1976,"volume":"41","issue":"9","pages":"1603-1606"},"origin_organism":{"id":5576,"type":"Fungus","genus":"Agaricus","species":"campestris","taxon":{"id":1369,"name":"Agaricus","rank":"genus","taxon_db":"mycobank","external_id":"17030","ncbi_id":5340,"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":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1368,"name":"Agaricaceae","rank":"family","taxon_db":"mycobank","external_id":"80434","ncbi_id":5339}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/jo00871a027","structure_smiles":"C1=CC(=C(C=C1NC(=O)CC[C@@H](C(=O)O)N)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0023602"}],"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":"N[C@@H](CCC(=O)NC1=CC(O)=C(O)C=C1)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=HJLNKWYSKFDHDG-ZETCQYMHSA-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","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Anilides","Benzene and substituted derivatives","Benzenediols","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Catechols","Chemical entities","Fatty Acyls","Fatty amides","Glutamine and derivatives","Hydrocarbon derivatives","L-alpha-amino acids","Lipids and lipid-like molecules","Monoalkylamines","Monocarboxylic acids and derivatives","N-arylamides","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenols","Primary amines","Secondary carboxylic acid 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 glutamine and derivatives. 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