{"id":10822,"npaid":"NPA010822","original_name":"CJ-16,173","mol_formula":"C19H19NO4","mol_weight":"325.3640","exact_mass":"325.1314","inchikey":"MDPFIHREEGWODX-ZJVYMTFOSA-N","smiles":"C/C=C/1\\CO[C@@H]([C@]2([C@@H]1OC3=C2C(=O)C(=CN3)C4=CC=CC=C4)C)O","cluster_id":4267,"node_id":1613,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H19NO4/c1-3-11-10-23-18(22)19(2)14-15(21)13(12-7-5-4-6-8-12)9-20-17(14)24-16(11)19/h3-9,16,18,22H,10H2,1-2H3,(H,20,21)/b11-3+/t16-,18+,19-/m1/s1","m_plus_h":"326.1387","m_plus_na":"348.1206","origin_reference":{"doi":"10.7164/antibiotics.55.6","pmid":11918067,"authors":"Sakemi, Shinichi; Bordner, Jon; DeCosta, Debra L.; Dekker, Koen A.; Hirai, Hideo; Inagaki, Taisuke; Kim, Yoon-Jeong; Kojima, Nakao; Sims, Jeffrey C.; Sugie, Yutaka; Sugiura, Akemi; Sutcliffe, Joyce A.; Tachikawa, Kiyoshi; Truesdell, Susan J.; Wong, John W.; Yoshikawa, Nobuji; Kojima, Yasuhiro","title":"CJ-15,696 and its analogs, new furopyridine antibiotics from the fungus Cladobotryum varium: Fermentation, isolation, structural elucidation, biotransformation and antibacterial activities","journal":"Journal of Antibiotics","year":2002,"volume":"55","issue":"1","pages":"6-18"},"origin_organism":{"id":3918,"type":"Fungus","genus":"Cladobotryum","species":"varium CL12284","taxon":{"id":904,"name":"Cladobotryum","rank":"genus","taxon_db":"mycobank","external_id":"7674","ncbi_id":73504,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125},{"id":901,"name":"Hypocreaceae","rank":"family","taxon_db":"mycobank","external_id":"80892","ncbi_id":5129}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.55.6","structure_smiles":"C/C=C/1\\CO[C@@H]([C@]2([C@@H]1OC3=C2C(=O)C(=CN3)C4=CC=CC=C4)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002268"},{"external_db_name":"npmrd","external_db_code":"NP0004114"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000089","name":"Pyridines and derivatives","chemont_id":"CHEMONTID:0000089","description":"Compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms."},"smiles":"C\\C=C1/CO[C@H](O)[C@@]2(C)[C@@H]1OC1=C2C(=O)C(=CN1)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=MDPFIHREEGWODX-ZJVYMTFOSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002317","name":"Phenylpyridines","chemont_id":"CHEMONTID:0002317","description":"Polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond."},"ancestors":["Alkyl aryl ethers","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Chemical entities","Ethers","Hemiacetals","Heteroaromatic compounds","Hydrocarbon derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Phenylpyridines","Pyridines and derivatives","Vinylogous amides","Vinylogous esters"],"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 phenylpyridines. 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