{"id":33060,"npaid":"NPA033060","original_name":"Ammosester C","mol_formula":"C12H9ClN4O3","mol_weight":"292.6820","exact_mass":"292.0363","inchikey":"VMGBZXKKNNEJRM-UHFFFAOYSA-N","smiles":"COC(=O)C1=CC2=C(O)N=C3C(N)=C(Cl)C(=N)C(=C23)[NH]1","cluster_id":9535,"node_id":6384,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C12H9ClN4O3/c1-20-12(19)4-2-3-5-9(16-4)7(14)6(13)8(15)10(5)17-11(3)18/h2,14,16,18H,15H2,1H3","m_plus_h":"293.0436","m_plus_na":"315.0255","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(O)N=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(O)N=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=VMGBZXKKNNEJRM-UHFFFAOYSA-N","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","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","P-quinonimines","Primary amines","Propargyl-type 1,3-dipolar organic compounds","Pyridinecarboxylic acids","Pyridinecarboxylic acids and derivatives","Pyridines and derivatives","Quinolines and derivatives","Quinonimines","Secondary amines","Secondary ketimines","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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