{"id":33058,"npaid":"NPA033058","original_name":"Ammosester A","mol_formula":"C13H12ClN4O2+","mol_weight":"291.7180","exact_mass":"291.0643","inchikey":"WVQCUPZVEGKBBJ-UHFFFAOYSA-O","smiles":"COC(=O)C1=CC2=C[N+](C)=C3C(N)=C(Cl)C(=N)C(=C23)[NH]1","cluster_id":9534,"node_id":6384,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C13H11ClN4O2/c1-18-4-5-3-6(13(19)20-2)17-11-7(5)12(18)10(16)8(14)9(11)15/h3-4H,1-2H3,(H3,15,16)/p+1","m_plus_h":"292.0716","m_plus_na":"314.0535","origin_reference":{"doi":"10.1093/jimb/kuab027","pmid":33982054,"authors":"Luo, Jun; Yang, Dong; ; Adhikari, Ajeeth; Dong, Liao-Bin; Ye, Fei; Yan, Xiaohui; Rader, Christoph; Shen, Ben","title":"Discovery of ammosesters by mining the Streptomyces uncialis DCA2648 genome revealing new insight into ammosamide biosynthesis.","journal":"Journal of Industrial Microbiology and Biotechnology","year":2021,"volume":"48","issue":"3-4","pages":"kuab027"},"origin_organism":{"id":10699,"type":"Bacterium","genus":"Streptomyces","species":"uncialis SB18002","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":"10.1093/jimb/kuab027","structure_smiles":"COC(=O)C1=CC2=C[N+](C)=C3C(N)=C(Cl)C(=N)C(=C23)[NH]1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002343"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001253","name":"Quinolines and derivatives","chemont_id":"CHEMONTID:0001253","description":"Compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene."},"smiles":"COC(=O)C1=CC2=C[N+](C)=C3C2=C(N1)C(=N)C(Cl)=C3N","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=WVQCUPZVEGKBBJ-UHFFFAOYSA-O","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004403","name":"Haloquinolines","chemont_id":"CHEMONTID:0004403","description":"Compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom."},"ancestors":["2-halopyridines","Alpha amino acids and derivatives","Alpha,beta-unsaturated carboxylic esters","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Aniline and substituted anilines","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Chloroalkenes","Dialkylamines","Dihydropyridines","Enoate esters","Fatty Acyls","Fatty acid esters","Haloalkenes","Halopyridines","Haloquinolines","Heteroaromatic compounds","Hydrocarbon derivatives","Hydropyridines","Imines","Indoles and derivatives","Ketimines","Lipids and lipid-like molecules","Methoxyanilines","Methyl esters","Methylpyridines","Monoalkylamines","Monocarboxylic acids and derivatives","N-alkylindoles","N-methylpyrroles","N-substituted pyrroles","Organic acids and derivatives","Organic cations","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Primary amines","Pyridinecarboxylic acids","Pyridinecarboxylic acids and derivatives","Pyridines and derivatives","Pyrroles","Quinolines and derivatives","Secondary amines","Secondary ketimines","Substituted pyrroles","Vinyl chlorides","Vinyl halides"],"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 haloquinolines. 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