{"id":7051,"npaid":"NPA007051","original_name":"Porothramycin A","mol_formula":"C18H21N3O4","mol_weight":"343.3830","exact_mass":"343.1532","inchikey":"OQMYRVPMCIOFHL-UDBCLFQLSA-N","smiles":"COC1=CC=CC2=C1N[C@H](O)[C@@H]1CC(/C=C/C(=O)N(C)C)=CN1C2=O","cluster_id":1073,"node_id":923,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H21N3O4/c1-20(2)15(22)8-7-11-9-13-17(23)19-16-12(18(24)21(13)10-11)5-4-6-14(16)25-3/h4-8,10,13,17,19,23H,9H2,1-3H3/b8-7+/t13-,17+/m0/s1","m_plus_h":"344.1605","m_plus_na":"366.1424","origin_reference":{"doi":"10.7164/antibiotics.41.1366","pmid":3192492,"authors":"Tsunakawa; Kamei; Konishi; Miyaki; Oki; Kawaguchi","title":"Porothramycin, a new antibiotic of the anthramycin group: Production, isolation, structure and biological activity","journal":"Journal of Antibiotics","year":1988,"volume":"41","issue":"10","pages":"1366-1373"},"origin_organism":{"id":1207,"type":"Bacterium","genus":"Streptomyces","species":"albus K731-113","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":"10.7164/antibiotics.41.1366","structure_smiles":"COC1=CC=CC2=C1N[C@H](O)[C@@H]1CC(/C=C/C(=O)N(C)C)=CN1C2=O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000409"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004721939%3%Porothramycin&hemiaminal"},{"external_db_name":"npmrd","external_db_code":"NP0020975"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000295","name":"Benzodiazepines","chemont_id":"CHEMONTID:0000295","description":"Organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms)."},"smiles":"COC1=CC=CC2=C1NC(O)C1CC(C=CC(=O)N(C)C)=CN1C2=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=OQMYRVPMCIOFHL-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004097","name":"1,4-benzodiazepines","chemont_id":"CHEMONTID:0004097","description":"Organic compounds containing a benzene ring fused to a 1,4-azepine."},"ancestors":["1,4-benzodiazepines","Alkanolamines","Alkyl aryl ethers","Amines","Anisoles","Azacyclic compounds","Benzenoids","Benzodiazepines","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Ethers","Hydrocarbon derivatives","Lactams","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenol ethers","Pyrrolines","Tertiary carboxylic acid amides","Vinylogous amides"],"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 1,4-benzodiazepines. 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