{"id":3386,"npaid":"NPA003386","original_name":"A23187","mol_formula":"C29H37N3O6","mol_weight":"523.6300","exact_mass":"523.2682","inchikey":"HIYAVKIYRIFSCZ-CYEMHPAKSA-N","smiles":"C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC","cluster_id":1892,"node_id":1525,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1","m_plus_h":"524.2755","m_plus_na":"546.2574","origin_reference":{"doi":"10.1021/ja00813a047","pmid":4815763,"authors":"Chaney, Michael O; Demarco, Paul V; Jones, Noel D; Occolowitz, John L","title":"Structure of A23187, a divalent cation ionophore","journal":"Journal of the American Chemical Society","year":1974,"volume":"96","issue":"6","pages":"1932-1933"},"origin_organism":{"id":2075,"type":"Bacterium","genus":"Streptomyces","species":"chartreusensis","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":"10.1021/ja00813a047","structure_smiles":"C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000032"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000085751%1%MLS001056783-01!Calcimycin&A23187"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000085752%1%MLS001056783-01!Calcimycin&A23187"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010116623%Calcimycin 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