{"id":29141,"npaid":"NPA029141","original_name":"Laxaphycin B6","mol_formula":"C71H118N14O18","mol_weight":"1455.8050","exact_mass":"1454.8749","inchikey":"QYDAKIJPWRKNRQ-XJLGCOPWSA-N","smiles":"CCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1","cluster_id":26,"node_id":25,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C71H118N14O18/c1-15-18-19-20-21-23-44-34-53(91)79-55(39(10)16-2)66(98)83-58(60(92)38(8)9)68(100)80-54(37(6)7)65(97)77-47(32-36(4)5)61(93)75-46(29-30-51(72)89)70(102)84(14)59(40(11)17-3)69(101)78-49(35-52(73)90)63(95)82-57(42(13)87)71(103)85-31-22-24-50(85)64(96)76-48(33-43-25-27-45(88)28-26-43)62(94)81-56(41(12)86)67(99)74-44/h25-28,36-42,44,46-50,54-60,86-88,92H,15-24,29-35H2,1-14H3,(H2,72,89)(H2,73,90)(H,74,99)(H,75,93)(H,76,96)(H,77,97)(H,78,101)(H,79,91)(H,80,100)(H,81,94)(H,82,95)(H,83,98)/t39-,40-,41+,42+,44+,46-,47+,48+,49+,50-,54-,55-,56-,57-,58+,59-,60-/m0/s1","m_plus_h":"1455.8822","m_plus_na":"1477.8641","origin_reference":{"doi":"10.1038/s41429-020-0301-x","pmid":32235860,"authors":"Burdette, Joanna E.; Krunic, Aleksej; Orjala, Jimmy; Sullivan, Peter","title":"Laxaphycins B5 and B6 from the cultured cyanobacterium UIC 10484","journal":"Journal of Antibiotics","year":2020,"volume":"73","issue":null,"pages":"526-533"},"origin_organism":{"id":10025,"type":"Bacterium","genus":"Phormidium","species":"sp. UIC 10484","taxon":{"id":492,"name":"Phormidium","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1198,"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":491,"name":"Phormidiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1038/s41429-020-0301-x","structure_smiles":"CCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":null,"npclassifier":{"isglycoside":false,"class_results":["Cyclic peptides"],"pathway_results":["Amino acids and Peptides"],"superclass_results":["Oligopeptides"]}}