{"id":33150,"npaid":"NPA033150","original_name":"CIML D","mol_formula":"C27H51NO8P+","mol_weight":"548.6780","exact_mass":"548.3347","inchikey":"ZFOQFRWXAGFXFL-IWRPRKENSA-O","smiles":"C[C@@H]1CCCCCCCCCCCC[C@H](O)[C@H]2O[C@@H]2[C@@H](OP(=O)(O)OCC[N+](C)(C)C)C=CC=C(O)O1","cluster_id":9550,"node_id":6393,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C27H50NO8P/c1-22-16-13-11-9-7-5-6-8-10-12-14-17-23(29)26-27(35-26)24(18-15-19-25(30)34-22)36-37(31,32)33-21-20-28(2,3)4/h15,18-19,22-24,26-27,29H,5-14,16-17,20-21H2,1-4H3,(H-,30,31,32)/p+1/t22-,23+,24+,26-,27-/m1/s1","m_plus_h":"549.3420","m_plus_na":"571.3239","origin_reference":{"doi":"10.1021/acs.orglett.0c01975","pmid":32663020,"authors":"Morishita, Yohei; Aoki, Yu; Ito, Mei; Hagiwara, Daisuke; Torimaru, Kensho; Morita, Daichi; Kuroda, Teruo; Fukano, Hanako; Hoshino, Yoshihiko; Suzuki, Masato; Taniguchi, Tohru; Mori, Keiji; Asai, Teigo","title":"Genome Mining-Based Discovery of Fungal Macrolides Modified by glycosylphosphatidylinositol (GPI)-Ethanolamine Phosphate Transferase Homologues","journal":"Organic Letters","year":2020,"volume":"22","issue":"15","pages":"5876-5879"},"origin_organism":{"id":10722,"type":"Fungus","genus":"Colletotrichum","species":"incanum","taxon":{"id":1106,"name":"Colletotrichum","rank":"genus","taxon_db":"mycobank","external_id":"7737","ncbi_id":5455,"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":1104,"name":"Glomerellales","rank":"order","taxon_db":"mycobank","external_id":"515429","ncbi_id":1028384},{"id":1105,"name":"Glomerellaceae","rank":"family","taxon_db":"mycobank","external_id":"504454","ncbi_id":681950}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.orglett.0c01975","structure_smiles":"C[C@@H]1CCCCCCCCCCCC[C@H](O)[C@H]2O[C@@H]2[C@@H](OP(=O)(O)OCC[N+](C)(C)C)C=CC=C(O)O1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002228"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},"smiles":"C[C@@H]1CCCCCCCCCCCC[C@H](O)[C@H]2O[C@@H]2[C@@H](OP(O)(=O)OCC[N+](C)(C)C)C=CC=C(O)O1","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=ZFOQFRWXAGFXFL-IWRPRKENSA-O","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000503","name":"Quaternary ammonium salts","chemont_id":"CHEMONTID:0000503","description":"Compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl group."},"ancestors":["Alcohols and polyols","Alkyl phosphates","Amines","Chemical entities","Cholines","Dialkyl ethers","Dialkyl phosphates","Epoxides","Ethers","Hydrocarbon derivatives","Organic acids and derivatives","Organic cations","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organic phosphoric acids and derivatives","Organic salts","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Phosphate esters","Phosphocholines","Quaternary ammonium salts","Secondary alcohols","Tetraalkylammonium salts"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004707","name":"Organic nitrogen compounds","chemont_id":"CHEMONTID:0004707","description":"Organic compounds containing a nitrogen atom."},"description":"This compound belongs to the class of organic compounds known as phosphocholines. 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