{"id":33122,"npaid":"NPA033122","original_name":"Anabaenopeptin 816","mol_formula":"C43H60N8O8","mol_weight":"817.0010","exact_mass":"816.4534","inchikey":"WVXAUVZLKOOHBO-NWWUHOQDSA-N","smiles":"CCC(C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](C(C)CC)NC1=O)C(=O)O","cluster_id":415,"node_id":374,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C43H60N8O8/c1-7-25(3)35-40(55)47-34(23-29-24-45-31-19-13-12-18-30(29)31)41(56)51(6)27(5)37(52)46-33(22-28-16-10-9-11-17-28)38(53)44-21-15-14-20-32(39(54)49-35)48-43(59)50-36(42(57)58)26(4)8-2/h9-13,16-19,24-27,32-36,45H,7-8,14-15,20-23H2,1-6H3,(H,44,53)(H,46,52)(H,47,55)(H,49,54)(H,57,58)(H2,48,50,59)/t25?,26?,27-,32-,33-,34-,35-,36+/m1/s1","m_plus_h":"817.4607","m_plus_na":"839.4426","origin_reference":{"doi":"10.3390/molecules25173786","pmid":32825321,"authors":"Saha, Subhasish; Esposito, Germana; Urajová, Petra; Mareš, Jan; Ewe, Daniela; Caso, Alessia; Macho, Markéta; Delawská, Kateřina; Kust, Andreja; Hrouzek, Pavel; Juráň, Josef; Costantino, Valeria; Saurav, Kumar","title":"Discovery of Unusual Cyanobacterial Tryptophan-Containing Anabaenopeptins by MS/MS-Based Molecular Networking.","journal":"Molecules","year":2020,"volume":"25","issue":"17","pages":"3786"},"origin_organism":{"id":10713,"type":"Bacterium","genus":"Brasilonema","species":"sp. 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