{"id":21939,"npaid":"NPA021939","original_name":"Usenamine F","mol_formula":"C26H33NO9","mol_weight":"503.5480","exact_mass":"503.2155","inchikey":"TXCOOEZSXVVCSB-IZZNHLLZSA-N","smiles":"CCOC(=O)CCCN=C(C)C1=C([C@@]2(C3=C(C(=C(C(=C3O[C@@]2(CC1=O)OCC)C(=O)C)O)C)O)C)O","cluster_id":3312,"node_id":196,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C26H33NO9/c1-7-34-17(30)10-9-11-27-14(4)18-16(29)12-26(35-8-2)25(6,24(18)33)20-22(32)13(3)21(31)19(15(5)28)23(20)36-26/h31-33H,7-12H2,1-6H3/t25-,26+/m0/s1","m_plus_h":"504.2228","m_plus_na":"526.2047","origin_reference":{"doi":"10.1021/acs.jnatprod.6b00109","pmid":27186821,"authors":"Yu, Xuelong; Guo, Qiang; Su, Guozhu; Yang, Ailin; Hu, Zhongdong; Qu, Changhai; Wan, Zhe; Li, Ruoyu; Tu, Pengfei; Chai, Xing","title":"Usnic Acid Derivatives with Cytotoxic and Antifungal Activities from the Lichen Usnea longissima","journal":"Journal of Natural Products","year":2016,"volume":"79","issue":"5","pages":"1373-1380"},"origin_organism":{"id":1741,"type":"Fungus","genus":"Usnea","species":"longissima","taxon":{"id":811,"name":"Usnea","rank":"genus","taxon_db":"mycobank","external_id":"5692","ncbi_id":86620,"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":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":787,"name":"Lecanoromycetes","rank":"class","taxon_db":"mycobank","external_id":"501486","ncbi_id":147547},{"id":791,"name":"Lecanorales","rank":"order","taxon_db":"mycobank","external_id":"90480","ncbi_id":5197},{"id":792,"name":"Parmeliaceae","rank":"family","taxon_db":"mycobank","external_id":"81882","ncbi_id":78060}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.jnatprod.6b00109","structure_smiles":"CCOC(=O)CCCN=C(C)C1=C([C@@]2(C3=C(C(=C(C(=C3O[C@@]2(CC1=O)OCC)C(=O)C)O)C)O)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0015400"}],"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":"CCOC(=O)CCCN=C(C)C1=C(O)[C@]2(C)C3=C(O)C(C)=C(O)C(C(C)=O)=C3O[C@@]2(CC1=O)OCC","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=TXCOOEZSXVVCSB-IZZNHLLZSA-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":["Acetals","Acetophenones","Alcohols and polyols","Amino acids and derivatives","Amino acids, peptides, and analogues","Aryl alkyl ketones","Aryl ketones","Azomethines","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Coumarans","Cyclic ketones","Cyclohexenones","Enols","Ethers","Fatty Acyls","Fatty acid esters","Gamma amino acids and derivatives","Hydrocarbon derivatives","Imines","Ketals","Ketimines","Ketones","Lipids and lipid-like molecules","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","Oxacyclic compounds","Polyols","Propargyl-type 1,3-dipolar organic compounds","Secondary ketimines","Vinylogous 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 gamma amino acids and derivatives. 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