{"id":6173,"npaid":"NPA006173","original_name":"Pseudomonic acid A","mol_formula":"C26H44O9","mol_weight":"500.6290","exact_mass":"500.2985","inchikey":"MINDHVHHQZYEEK-HBBNESRFSA-N","smiles":"C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O","cluster_id":1320,"node_id":1112,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1","m_plus_h":"501.3058","m_plus_na":"523.2877","origin_reference":{"doi":"10.5281/zenodo.3541226","pmid":402371,"authors":"Chain, E B; Mellows, G","title":"Pseudomonic acid. Part 1. The structure of pseudomonic acid A, a novel antibiotic produced by Pseudomonas fluorescens","journal":"Journal of the Chemical Society, Perkin Transactions 1","year":1977,"volume":null,"issue":"3","pages":"294"},"origin_organism":{"id":150,"type":"Bacterium","genus":"Pseudomonas","species":"fluorescens","taxon":{"id":86,"name":"Pseudomonas","rank":"genus","taxon_db":"lpsn","external_id":"517405","ncbi_id":286,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":79,"name":"Gammaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":1236},{"id":80,"name":"Pseudomonadales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":72274},{"id":84,"name":"Pseudomonadaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":135621}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.5281/zenodo.3541226","structure_smiles":"C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000182"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000085834%3%MLS001074711-01!Mupirocin"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684667%3%3-Indoleacetic&acid&(IAA)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684668%3%4-hydroxyglucobrassicin"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684669%3%4-hydroxyglucobrassicin"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684673%3%Abscisic&acid"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684682%3%Camalexin"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684683%3%Camalexin"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684684%3%Camalexin"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684773%3%Gluconapin&(3-butenylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684774%3%Gluconapin&(3-butenylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684775%3%glucoerucin&(4-methylthiobutyl&glucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684776%3%glucoerucin&(4-methylthiobutyl&glucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684777%3%Glucobrassicin&(Indol-3-ylmethylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684778%3%Glucobrassicin&(Indol-3-ylmethylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684779%3%Glucoraphanin&(4-methylsulfinylbutyl&glucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684780%3%Glucoraphanin&(4-methylsulfinylbutyl&glucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684781%3%Glucoiberin&(3-methylsulfinylpropylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684782%3%Glucoiberin&(3-methylsulfinylpropylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684783%3%Jasmonic&acid"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684784%3%Jasmonic&acid"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684785%3%4-Methoxyglucobrassicin&&(4-Methoxy-3-indolylmethyl&glucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684786%3%4-Methoxyglucobrassicin&&(4-Methoxy-3-indolylmethyl&glucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691028%3%MUPIROCIN"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691029%3%MUPIROCIN"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691030%3%MUPIROCIN"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691031%3%MUPIROCIN"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691032%3%Neoglucobrassicin&(1-Methoxy-3-indolylmethyl&glucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691033%3%Neoglucobrassicin&(1-Methoxy-3-indolylmethyl&glucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691042%3%Salicylic&Acid"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691043%3%Salicylic&Acid"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691044%3%Sinalbin&(p-Hydroxybenzylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691045%3%Sinalbin&(p-Hydroxybenzylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691046%3%Sinalbin&(p-Hydroxybenzylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691047%3%Sinalbin&(p-Hydroxybenzylglucosinolate)"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691049%3%Sulforaphane"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004691048%3%Sulforaphane"},{"external_db_name":"npmrd","external_db_code":"NP0021323"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003909","name":"Fatty 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