{"id":12281,"npaid":"NPA012281","original_name":"Apratoxin A","mol_formula":"C45H69N5O8S","mol_weight":"840.1410","exact_mass":"839.4867","inchikey":"KXUJXPZXILTXDA-JHMIWIOGSA-N","smiles":"CC[C@H](C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@H](C[C@@H]([C@@H](C3=N[C@H](CS3)/C=C(/C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C)C)CC4=CC=C(C=C4)OC)\\C)C)O)C)C(C)(C)C","cluster_id":694,"node_id":612,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C45H69N5O8S/c1-13-27(3)38-43(55)50-20-14-15-35(50)44(56)58-37(45(7,8)9)22-26(2)21-36(51)29(5)40-46-32(25-59-40)23-28(4)39(52)47-34(24-31-16-18-33(57-12)19-17-31)42(54)48(10)30(6)41(53)49(38)11/h16-19,23,26-27,29-30,32,34-38,51H,13-15,20-22,24-25H2,1-12H3,(H,47,52)/b28-23+/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38+/m0/s1","m_plus_h":"840.4940","m_plus_na":"862.4759","origin_reference":{"doi":"10.1021/ja010453j","pmid":11389621,"authors":"Luesch; Yoshida; Moore; Paul; Corbett","title":"Total structure determination of apratoxin A, a potent novel cytotoxin from the marine cyanobacterium Lyngbya majuscula","journal":"Journal of the American Chemical Society","year":2001,"volume":"123","issue":"23","pages":"5418-5423"},"origin_organism":{"id":72,"type":"Bacterium","genus":"Lyngbya","species":"majuscula","taxon":{"id":477,"name":"Lyngbya","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":28073,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":473,"name":"Oscillatoriales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1150},{"id":474,"name":"Oscillatoriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1892254}]}},"syntheses":["10.1002/chem.200600599","10.1073/pnas.0402752101","10.1021/ol052907d","10.1248/cpb.c14-00268","10.1021/ja036050w","10.1002/asia.200800365","10.1002/asia.201000549"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/ja010453j","structure_smiles":"CC[C@H](C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C[C@H](C[C@@H]([C@@H](C3=N[C@H](CS3)/C=C(/C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C)C)CC4=CC=C(C=C4)OC)\\C)C)O)C)C(C)(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002542"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000478598%3%Apratoxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000478599%3%Apratoxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000424840%3%Apratoxin&A"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00000001601%Apratoxin 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