{"id":9900,"npaid":"NPA009900","original_name":"CJ-15,696","mol_formula":"C19H19NO3","mol_weight":"309.3650","exact_mass":"309.1365","inchikey":"ULWIXPFVMCMTFC-LTVUSIFUSA-N","smiles":"C/C=C(\\C)/[C@@H]1[C@](C2=C(O1)NC=C(C2=O)C3=CC=CC=C3)(C)C=O","cluster_id":3985,"node_id":1613,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H19NO3/c1-4-12(2)17-19(3,11-21)15-16(22)14(10-20-18(15)23-17)13-8-6-5-7-9-13/h4-11,17H,1-3H3,(H,20,22)/b12-4+/t17-,19-/m1/s1","m_plus_h":"310.1438","m_plus_na":"332.1257","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":2326,"type":"Fungus","genus":"Cladobotryum","species":"varium","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(\\C)/[C@@H]1[C@](C2=C(O1)NC=C(C2=O)C3=CC=CC=C3)(C)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":"NP0004110"}],"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=C(/C)[C@H]1OC2=C(C(=O)C(=CN2)C2=CC=CC=C2)[C@@]1(C)C=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=ULWIXPFVMCMTFC-LTVUSIFUSA-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":["Aldehydes","Alkyl aryl ethers","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Chemical entities","Ethers","Heteroaromatic compounds","Hydrocarbon derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Oxacyclic compounds","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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