{"id":33045,"npaid":"NPA033045","original_name":"Brasilane D","mol_formula":"C23H39NO7","mol_weight":"441.5650","exact_mass":"441.2727","inchikey":"WQENHTBYSXNZOC-QOFKYMNVSA-N","smiles":"CC(=O)N[C@H]1[C@@H](OC/C(CO)=C2\\CC(C)(C)C[C@H]3[C@@H](C)CC[C@H]23)O[C@H](CO)[C@@H](O)[C@@H]1O","cluster_id":51,"node_id":47,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H39NO7/c1-12-5-6-15-16(12)7-23(3,4)8-17(15)14(9-25)11-30-22-19(24-13(2)27)21(29)20(28)18(10-26)31-22/h12,15-16,18-22,25-26,28-29H,5-11H2,1-4H3,(H,24,27)/b17-14+/t12-,15-,16-,18+,19+,20+,21+,22-/m0/s1","m_plus_h":"442.2800","m_plus_na":"464.2619","origin_reference":{"doi":"10.1039/d0cc03950k","pmid":null,"authors":"Feng, Jin; Surup, Frank; Hauser, Maurice; Miller, Anna; Wennrich, Jan-Peer; Stadler, Marc; Cox, Russell J.; Kuhnert, Eric","title":"Biosynthesis of oxygenated brasilane terpene glycosides involves a promiscuous N-acetylglucosamine transferase.","journal":"Chemical Communications","year":2020,"volume":"56","issue":null,"pages":"12419-12422"},"origin_organism":{"id":10693,"type":"Fungus","genus":"Annulohypoxylon","species":"truncatum strain CBS 140778","taxon":{"id":995,"name":"Annulohypoxylon","rank":"genus","taxon_db":"mycobank","external_id":"500298","ncbi_id":326606,"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":993,"name":"Xylariales","rank":"order","taxon_db":"mycobank","external_id":"90505","ncbi_id":37989},{"id":994,"name":"Hypoxylaceae","rank":"family","taxon_db":"mycobank","external_id":"81885","ncbi_id":2033035}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1039/d0cc03950k","structure_smiles":"CC(=O)N[C@H]1[C@@H](OC/C(CO)=C2\\CC(C)(C)C[C@H]3[C@@H](C)CC[C@H]23)O[C@H](CO)[C@@H](O)[C@@H]1O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002260"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"C[C@H]1CC[C@H]2[C@H]1CC(C)(C)C\\C2=C(\\CO)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(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=WQENHTBYSXNZOC-QOFKYMNVSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000011","name":"Carbohydrates and carbohydrate conjugates","chemont_id":"CHEMONTID:0000011","description":"Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives."},"ancestors":["Acetamides","Alcohols and polyols","Alkyl glycosides","Aminosaccharides","Carbohydrates and carbohydrate conjugates","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty acyl glycosides","Fatty acyl glycosides of mono- and disaccharides","Hexoses","Hydrocarbon derivatives","Lipids and lipid-like molecules","Monosaccharides","N-acyl-alpha-hexosamines","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","Prenol lipids","Secondary alcohols","Sesquiterpenoids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. 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