{"id":32050,"npaid":"NPA032050","original_name":"Largimycin A3","mol_formula":"C23H23ClN2O8S","mol_weight":"522.9630","exact_mass":"522.0864","inchikey":"SRTHRTWGDJJGDY-YWAQVVFGSA-N","smiles":"C[C@@]12/C=C/C(=O)/C=C/C=C\\C3=COC(=N3)/C([C@H](O)CCl)=N\\OC(=O)C[C@@]([C@@]3(C(=O)O)CO3)(CC1)S2","cluster_id":9334,"node_id":6259,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H23ClN2O8S/c1-21-7-6-15(27)5-3-2-4-14-12-32-19(25-14)18(16(28)11-24)26-34-17(29)10-22(35-21,9-8-21)23(13-33-23)20(30)31/h2-7,12,16,28H,8-11,13H2,1H3,(H,30,31)/b4-2-,5-3+,7-6+,26-18-/t16-,21-,22-,23+/m1/s1","m_plus_h":"523.0937","m_plus_na":"545.0756","origin_reference":{"doi":"10.1021/acschembio.0c00160","pmid":32310633,"authors":"Becerril, Adriana; Pérez-Victoria, Ignacio; Ye, Suhui; Braña, Alfredo F; Martín, Jesús; Reyes, Fernando; Salas, José A; Méndez, Carmen","title":"Discovery of Cryptic Largimycins in Streptomyces Reveals Novel Biosynthetic Avenues Enriching the Structural Diversity of the Leinamycin Family.","journal":"ACS Chemical Biology","year":2020,"volume":"15","issue":"6","pages":"1541-1553"},"origin_organism":{"id":10527,"type":"Bacterium","genus":"Streptomyces","species":"argillaceus WT-R2","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":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acschembio.0c00160","structure_smiles":"C[C@@]12/C=C/C(=O)/C=C/C=C\\C3=COC(=N3)/C([C@H](O)CCl)=N\\OC(=O)C[C@@]([C@@]3(C(=O)O)CO3)(CC1)S2","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000159","name":"Epoxides","chemont_id":"CHEMONTID:0000159","description":"Compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms)."},"smiles":"C[C@]12CC[C@](CC(=O)O\\N=C([C@H](O)CCl)/C3=NC(=CO3)\\C=C/C=C/C(=O)/C=C/1)(S2)[C@]1(CO1)C(O)=O","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=SRTHRTWGDJJGDY-YWAQVVFGSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001864","name":"Oxirane carboxylic acids and derivatives","chemont_id":"CHEMONTID:0001864","description":"Compounds containing an oxirane ring bearing a carboxylic acid group (or a derivative thereof)."},"ancestors":[],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as oxirane carboxylic acids. 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