{"id":1771,"npaid":"NPA001771","original_name":"Uncialamycin","mol_formula":"C26H17NO6","mol_weight":"439.4230","exact_mass":"439.1056","inchikey":"OBGWIHKWGGEOEV-YFRVKLFPSA-N","smiles":"CC([C@]12[C@@H]3C#C/C=C\\C#C[C@H]([C@@]1(O2)C4=CC(=C5C(=C4N3)C(=O)C6=CC=CC=C6C5=O)O)O)O","cluster_id":1122,"node_id":294,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C26H17NO6/c1-13(28)25-18-10-4-2-3-5-11-19(30)26(25,33-25)16-12-17(29)20-21(22(16)27-18)24(32)15-9-7-6-8-14(15)23(20)31/h2-3,6-9,12-13,18-19,27-30H,1H3/b3-2-/t13?,18-,19+,25-,26-/m0/s1","m_plus_h":"440.1129","m_plus_na":"462.0948","origin_reference":{"doi":"10.1021/ol052081f","pmid":16268546,"authors":"Davies, Julian; Wang, Hao; Taylor, Terry; Warabi, Kaoru; Huang, Xin-Hui; Andersen, Raymond J","title":"Uncialamycin, a new enediyne antibiotic","journal":"Organic Letters","year":2005,"volume":"7","issue":"23","pages":"5233-5236"},"origin_organism":{"id":1265,"type":"Bacterium","genus":"Streptomyces","species":"uncialis","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":["10.1002/anie.200700917","10.1021/jacs.6b04339"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/ol052081f","structure_smiles":"CC([C@]12[C@@H]3C#C/C=C\\C#C[C@H]([C@@]1(O2)C4=CC(=C5C(=C4N3)C(=O)C6=CC=CC=C6C5=O)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001377"},{"external_db_name":"npmrd","external_db_code":"NP0006103"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000258","name":"Steroids and steroid derivatives","chemont_id":"CHEMONTID:0000258","description":"Compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. 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