{"id":3294,"npaid":"NPA003294","original_name":"Bagremycin B","mol_formula":"C17H15NO4","mol_weight":"297.3100","exact_mass":"297.1001","inchikey":"GIZFCCIAJXWSKK-UHFFFAOYSA-N","smiles":"CC(=O)NC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C)O","cluster_id":1847,"node_id":1491,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C17H15NO4/c1-3-12-4-7-14(8-5-12)22-17(21)13-6-9-16(20)15(10-13)18-11(2)19/h3-10,20H,1H2,2H3,(H,18,19)","m_plus_h":"298.1074","m_plus_na":"320.0893","origin_reference":{"doi":"10.7164/antibiotics.54.730","pmid":11714229,"authors":"Bertasso; Holzenkaempfer; Zeeck; Dall'Antonia; Fiedler","title":"Bagremycin A and B, novel antibiotics from Streptomyces sp. Tue 4128","journal":"Journal of Antibiotics","year":2001,"volume":"54","issue":"9","pages":"730-736"},"origin_organism":{"id":2028,"type":"Bacterium","genus":"Streptomyces","species":"sp. Tue 4128","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.54.730","structure_smiles":"CC(=O)NC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000889"},{"external_db_name":"npmrd","external_db_code":"NP0003938"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001645","name":"Depsides and depsidones","chemont_id":"CHEMONTID:0001645","description":"Polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone)."},"smiles":"CC(=O)NC1=C(O)C=CC(=C1)C(=O)OC1=CC=C(C=C)C=C1","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=GIZFCCIAJXWSKK-UHFFFAOYSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Acetamides","Acetanilides","Acylaminobenzoic acid and derivatives","Anilides","Benzene and substituted derivatives","Benzenoids","Benzoic acid esters","Benzoic acids and derivatives","Benzoyl derivatives","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Depsides and depsidones","Hydrocarbon derivatives","Monocarboxylic acids and derivatives","N-acetylarylamines","N-arylamides","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenol esters","Phenols","Phenoxy compounds","Phenylpropanoids and polyketides","Secondary carboxylic acid amides","Styrenes","p-Hydroxybenzoic acid esters"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000261","name":"Phenylpropanoids and polyketides","chemont_id":"CHEMONTID:0000261","description":"Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). 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