{"id":13324,"npaid":"NPA013324","original_name":"Ilicicolin H","mol_formula":"C27H31NO4","mol_weight":"433.5480","exact_mass":"433.2253","inchikey":"BYVVOONSAAQMKI-RFKCMYLBSA-N","smiles":"C/C=C/[C@@H]1[C@H]2C[C@H](CC[C@@H]2C(=C[C@H]1C(=O)C3=C(C(=CNC3=O)C4=CC=C(C=C4)O)O)C)C","cluster_id":4894,"node_id":1612,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C27H31NO4/c1-4-5-20-21-12-15(2)6-11-19(21)16(3)13-22(20)25(30)24-26(31)23(14-28-27(24)32)17-7-9-18(29)10-8-17/h4-5,7-10,13-15,19-22,29H,6,11-12H2,1-3H3,(H2,28,31,32)/b5-4+/t15-,19+,20+,21-,22+/m0/s1","m_plus_h":"434.2326","m_plus_na":"456.2145","origin_reference":{"doi":"10.1016/s0040-4039(00)93121-6","pmid":null,"authors":"Matsumoto, Makoto; Minato, Hitoshi","title":"Structure of ilicocolin H, an antifungal antibiotic","journal":"Tetrahedron Letters","year":1976,"volume":"17","issue":"42","pages":"3827-3830"},"origin_organism":{"id":4621,"type":"Fungus","genus":"Cylindrocladium","species":"ilicicola","taxon":{"id":926,"name":"Cylindrocladium","rank":"genus","taxon_db":"mycobank","external_id":"7871","ncbi_id":40266,"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":921,"name":"Nectriaceae","rank":"family","taxon_db":"mycobank","external_id":"81059","ncbi_id":110618}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/s0040-4039(00)93121-6","structure_smiles":"C/C=C/[C@@H]1[C@H]2C[C@H](CC[C@@H]2C(=C[C@H]1C(=O)C3=C(C(=CNC3=O)C4=CC=C(C=C4)O)O)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002093"},{"external_db_name":"npmrd","external_db_code":"NP0187645"}],"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@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1C(=O)C1=C(O)C(=CNC1=O)C1=CC=C(O)C=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=BYVVOONSAAQMKI-RFKCMYLBSA-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":["1-hydroxy-2-unsubstituted benzenoids","Aryl alkyl ketones","Aryl ketones","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Chemical entities","Dihydropyridines","Heteroaromatic compounds","Hydrocarbon derivatives","Hydropyridines","Hydroxypyridines","Ketones","Lactams","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenols","Phenylpyridines","Pyridines and derivatives","Pyridinones","Vinylogous acids","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 phenylpyridines. 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