{"id":4552,"npaid":"NPA004552","original_name":"Corallopyronin C","mol_formula":"C30H41NO7","mol_weight":"527.6580","exact_mass":"527.2883","inchikey":"ZTCOKVIQHYOAFI-YPAQVYEJSA-N","smiles":"C/C=C/C/C=C(/C)\\C1CCC(O1)(C)/C=C/C(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O","cluster_id":2353,"node_id":1857,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H41NO7/c1-7-8-9-12-20(2)24-15-17-30(5,38-24)16-14-22(4)27(33)26-23(32)19-25(37-28(26)34)21(3)13-10-11-18-31-29(35)36-6/h7-8,11-12,14,16,18-19,21-22,24,32H,9-10,13,15,17H2,1-6H3,(H,31,35)/b8-7+,16-14+,18-11+,20-12-","m_plus_h":"528.2956","m_plus_na":"550.2775","origin_reference":{"doi":"10.7164/antibiotics.38.145","pmid":2581926,"authors":"Irschik, H; Jansen, R; Höfle, G; Gerth, K; Reichenbach, H","title":"The corallopyronins, new inhibitors of bacterial RNA synthesis from Myxobacteria","journal":"Journal of Antibiotics","year":1985,"volume":"38","issue":"2","pages":"145-152"},"origin_organism":{"id":2521,"type":"Bacterium","genus":"Corallococcus","species":"(Myxococcus) coralloides","taxon":{"id":184,"name":"Corallococcus","rank":"genus","taxon_db":"lpsn","external_id":"515417","ncbi_id":83461,"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":"10.7164/antibiotics.38.145","structure_smiles":"C/C=C/C/C=C(/C)\\C1CCC(O1)(C)/C=C/C(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013936"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"COC(=O)N\\C=C\\CCC(C)c1cc(O)c(C(=O)C(C)\\C=C\\C2(C)CCC(O2)C(\\C)=C/C\\C=C\\C)c(=O)o1","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=ZTCOKVIQHYOAFI-YPAQVYEJSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."},"ancestors":["Amino acids and derivatives","Amino acids, peptides, and analogues","Aryl alkyl ketones","Aryl ketones","Carbamate esters","Carbamic acids and derivatives","Carbonyl compounds","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Ketones","Lactones","Methylcarbamates","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Pyranones and derivatives","Pyrans","Tetrahydrofurans","Vinylogous acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as aryl alkyl ketones. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["pyranone (CHEBI:37963)","enone (CHEBI:51689)","enol (CHEBI:33823)","oxolanes (CHEBI:26912)","carbamate ester (CHEBI:23003)","organic aromatic compound (CHEBI:33659)","organooxygen compound (CHEBI:36963)","lactone (CHEBI:25000)","oxacycle (CHEBI:38104)","ether (CHEBI:25698)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","aromatic ketone (CHEBI:76224)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","pyrans (CHEBI:26407)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)","carbon oxoacid (CHEBI:35605)","oxygen molecular entity (CHEBI:25806)","nitrogen molecular entity (CHEBI:51143)","carbonyl compound (CHEBI:36586)","ketone (CHEBI:17087)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["2-pyrone derivatives"],"pathway_results":["Polyketides"],"superclass_results":["Cyclic polyketides"]}}