{"id":33232,"npaid":"NPA033232","original_name":"Myxofacycline E","mol_formula":"C15H24N2O3","mol_weight":"280.3680","exact_mass":"280.1787","inchikey":"VBRRCMRJQMTCRZ-UHFFFAOYSA-N","smiles":"CC(C)CCCCC1=NC(CCCC(=O)O)=CC(=O)[NH]1","cluster_id":9579,"node_id":6406,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H24N2O3/c1-11(2)6-3-4-8-13-16-12(10-14(18)17-13)7-5-9-15(19)20/h10-11H,3-9H2,1-2H3,(H,19,20)(H,16,17,18)","m_plus_h":"281.1860","m_plus_na":"303.1679","origin_reference":{"doi":"10.1002/chem.202103095","pmid":34617331,"authors":"Popoff, Alexander; Hug, Joachim J.; Walesch, Sebastian; Garcia, Ronald; Keller, Lena; Müller, Rolf","title":"Structure and Biosynthesis of Myxofacyclines: Unique Myxobacterial Polyketides Featuring Varing and Rare Heterocycles","journal":"Chemistry - A European Journal","year":2021,"volume":"27","issue":"67","pages":"16654-16661"},"origin_organism":{"id":3016,"type":"Bacterium","genus":"Streptomyces","species":"prunicolor","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":"10.1002/chem.202103095","structure_smiles":"CC(C)CCCCC1=NC(CCCC(=O)O)=CC(=O)[NH]1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002342"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001346","name":"Diazines","chemont_id":"CHEMONTID:0001346","description":"Organic compounds containing a five-member heterocyclic compound with five nitrogen atoms, and two nitrogen atoms at positions 1 and 2 (Pyridazines), 1 and 3 (Pyrimidines), or 1 and 4 (Pyrazines)."},"smiles":"CC(C)CCCCC1=NC(CCCC(O)=O)=CC(=O)N1","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=VBRRCMRJQMTCRZ-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000075","name":"Pyrimidines and pyrimidine derivatives","chemont_id":"CHEMONTID:0000075","description":"Compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms."},"ancestors":["Azacyclic compounds","Branched fatty acids","Carboximidamides","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Diazines","Fatty Acyls","Fatty acids and conjugates","Fatty amides","Heteroaromatic compounds","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydropyrimidines","Lactams","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","N-acyl amines","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","Propargyl-type 1,3-dipolar organic compounds","Pyrimidines and pyrimidine derivatives","Pyrimidones"],"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 pyrimidones. 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