{"id":2378,"npaid":"NPA002378","original_name":"Streptonigrin","mol_formula":"C25H22N4O8","mol_weight":"506.4710","exact_mass":"506.1438","inchikey":"PVYJZLYGTZKPJE-UHFFFAOYSA-N","smiles":"CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O","cluster_id":1424,"node_id":1184,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)","m_plus_h":"507.1511","m_plus_na":"529.1330","origin_reference":{"doi":"10.1021/ja00899a051","pmid":null,"authors":"Rao, Koppaka V; Biemann, K; Woodward, RB","title":"The structure of streptonigrin","journal":"Journal of the American Chemical Society","year":1963,"volume":"85","issue":"16","pages":"2532-2533"},"origin_organism":{"id":1584,"type":"Bacterium","genus":"Streptomyces","species":"flocculus","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":["10.1021/ja207835w","10.1021/jo402388f"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/ja00899a051","structure_smiles":"CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001783"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010111745%Streptonigrin///streptonigrin 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