{"id":19793,"npaid":"NPA019793","original_name":"Lynamicin D","mol_formula":"C24H17Cl2N3O4","mol_weight":"482.3230","exact_mass":"481.0596","inchikey":"YYBKJQDTRQASSS-UHFFFAOYSA-N","smiles":"COC(=O)C1=C(C(=C(N1)C(=O)OC)C2=CNC3=C2C=C(C=C3)Cl)C4=CNC5=C4C=C(C=C5)Cl","cluster_id":1054,"node_id":11,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C24H17Cl2N3O4/c1-32-23(30)21-19(15-9-27-17-5-3-11(25)7-13(15)17)20(22(29-21)24(31)33-2)16-10-28-18-6-4-12(26)8-14(16)18/h3-10,27-29H,1-2H3","m_plus_h":"482.0669","m_plus_na":"504.0488","origin_reference":{"doi":"10.1021/np800286d","pmid":18842058,"authors":"McArthur, Katherine A.; Mitchell, Scott S.; Tsueng, Ginger; Rheingold, Arnold; White, Donald J.; Grodberg, Jennifer; Lam, Kin S.; Potts, Barbara C. M.","title":"Lynamicins A-E, chlorinated bisindole pyrrole antibiotics from a novel marine actinomycete","journal":"Journal of Natural Products","year":2008,"volume":"71","issue":"10","pages":"1732-1737"},"origin_organism":{"id":972,"type":"Bacterium","genus":"Actinomyces","species":"nPS12745","taxon":{"id":245,"name":"Actinomyces","rank":"genus","taxon_db":"lpsn","external_id":"515038","ncbi_id":1654,"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":243,"name":"Actinomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":2037},{"id":244,"name":"Actinomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2049}]}},"syntheses":["10.1016/j.bmc.2017.01.025"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np800286d","structure_smiles":"COC(=O)C1=C(C(=C(N1)C(=O)OC)C2=CNC3=C2C=C(C=C3)Cl)C4=CNC5=C4C=C(C=C5)Cl","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001782"},{"external_db_name":"npmrd","external_db_code":"NP0008032"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000211","name":"Indoles and derivatives","chemont_id":"CHEMONTID:0000211","description":"Organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring."},"smiles":"COC(=O)C1=C(C2=CNC3=C2C=C(Cl)C=C3)C(=C(N1)C(=O)OC)C1=CNC2=C1C=C(Cl)C=C2","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=YYBKJQDTRQASSS-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002497","name":"Indoles","chemont_id":"CHEMONTID:0002497","description":"Compounds containing an indole moiety, which consists of pyrrole ring fused to benzene  to form 2,3-benzopyrrole."},"ancestors":["Aryl chlorides","Aryl halides","Azacyclic compounds","Benzenoids","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dicarboxylic acids and derivatives","Heteroaromatic compounds","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Methyl esters","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Pyrrole carboxylic acids and derivatives","Pyrroles","Substituted pyrroles"],"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 indoles. 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