{"id":5279,"npaid":"NPA005279","original_name":"DKxanthene 492","mol_formula":"C27H32N4O5","mol_weight":"492.5760","exact_mass":"492.2373","inchikey":"YCNMXONAOSPSEX-XLWDLCQDSA-N","smiles":"C[C@@H]1[C@H](N=C(O1)/C=C/C2=CC=CN2)/C=C(\\C)/C=C/C=C/C=C/C=C(\\C)/C(=O)NC(CC(=O)N)C(=O)O","cluster_id":743,"node_id":647,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C27H32N4O5/c1-18(16-22-20(3)36-25(30-22)14-13-21-12-9-15-29-21)10-7-5-4-6-8-11-19(2)26(33)31-23(27(34)35)17-24(28)32/h4-16,20,22-23,29H,17H2,1-3H3,(H2,28,32)(H,31,33)(H,34,35)/b5-4+,8-6+,10-7+,14-13+,18-16+,19-11+/t20-,22-,23?/m1/s1","m_plus_h":"493.2446","m_plus_na":"515.2265","origin_reference":{"doi":"10.1073/pnas.0606039103","pmid":17148609,"authors":"Meiser, P.; Bode, H. B.; Muller, R.","title":"The unique DKxanthene secondary metabolite family from the myxobacterium Myxococcus xanthus is required for developmental sporulation","journal":"Proceedings of the National Academy of Sciences of the United States of America","year":2006,"volume":"103","issue":"50","pages":"19128-19133"},"origin_organism":{"id":842,"type":"Bacterium","genus":"Myxococcus","species":"xanthus DK1050","taxon":{"id":185,"name":"Myxococcus","rank":"genus","taxon_db":"lpsn","external_id":"516145","ncbi_id":32,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":168,"name":"Deltaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28221},{"id":169,"name":"Myxococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":29},{"id":183,"name":"Myxococcaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":31}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1073/pnas.0606039103","structure_smiles":"C[C@@H]1[C@H](N=C(O1)/C=C/C2=CC=CN2)/C=C(\\C)/C=C/C=C/C=C/C=C(\\C)/C(=O)NC(CC(=O)N)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000986"},{"external_db_name":"npmrd","external_db_code":"NP0006676"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"C[C@H]1OC(\\C=C\\c2ccc[nH]2)=N[C@@H]1\\C=C(/C)\\C=C\\C=C\\C=C\\C=C(/C)C(=O)NC(CC(N)=O)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=YCNMXONAOSPSEX-XLWDLCQDSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Asparagine and derivatives","Azacyclic compounds","Azolines","Carbonyl compounds","Carboximidic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty amides","Heteroaromatic compounds","Hydrocarbon derivatives","Imidoesters","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","N-acyl amines","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxazolines","Primary carboxylic acid amides","Propargyl-type 1,3-dipolar organic compounds","Pyrroles","Secondary carboxylic acid amides","Substituted pyrroles"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as asparagine and derivatives. 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