{"id":20794,"npaid":"NPA020794","original_name":"Neihumicin","mol_formula":"C19H16N2O2","mol_weight":"304.3490","exact_mass":"304.1212","inchikey":"CKMSPKVRKZDILM-MCOFMCJXSA-N","smiles":"COC\\1=N/C(=C\\C2=CC=CC=C2)/C(=O)N/C1=C\\C3=CC=CC=C3","cluster_id":481,"node_id":432,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H16N2O2/c1-23-19-17(13-15-10-6-3-7-11-15)20-18(22)16(21-19)12-14-8-4-2-5-9-14/h2-13H,1H3,(H,20,22)/b16-12-,17-13-","m_plus_h":"305.1285","m_plus_na":"327.1104","origin_reference":{"doi":"10.7164/antibiotics.41.488","pmid":3372355,"authors":"Yang LM; Wu RY; McPhail AT; Yokoi T; Lee KH","title":"Neihumicin, a new cytotoxic antibiotic from Micromonospora neihuensis. II. Structural determination and total synthesis","journal":"Journal of Antibiotics","year":1988,"volume":"41","issue":"4","pages":"488-493"},"origin_organism":{"id":6040,"type":"Bacterium","genus":"Micromonospora","species":"neihuensis Wu sp. nov.","taxon":{"id":253,"name":"Micromonospora","rank":"genus","taxon_db":"lpsn","external_id":"516092","ncbi_id":1873,"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":246,"name":"Micromonosporales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85008},{"id":247,"name":"Micromonosporaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":28056}]}},"syntheses":["10.7164/antibiotics.41.488"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.41.488","structure_smiles":"COC\\1=N/C(=C\\C2=CC=CC=C2)/C(=O)N/C1=C\\C3=CC=CC=C3","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0021111"}],"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":"COC1=N/C(=C\\C2=CC=CC=C2)/C(=O)N\\C\\1=C/C1=CC=CC=C1","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=CKMSPKVRKZDILM-MCOFMCJXSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000067","name":"Pyrazines","chemont_id":"CHEMONTID:0000067","description":"Compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms."},"ancestors":["Alkyl aryl ethers","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Chemical entities","Diazines","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Lactams","Methoxypyrazines","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Pyrazines"],"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 methoxypyrazines. 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