{"id":9394,"npaid":"NPA009394","original_name":"9'-deoxy-8',8'-dihydroxyherbicidin B","mol_formula":"C18H23N5O9","mol_weight":"453.4080","exact_mass":"453.1496","inchikey":"AZYCCECPGKXFKD-WZBVYVGFSA-N","smiles":"CO[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@@](O2)(C(C[C@H](O3)C(=O)OC)(O)O)O)O[C@H]1N4C=NC5=C4N=CN=C5N","cluster_id":1200,"node_id":1020,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H23N5O9/c1-28-12-11-7(31-15(12)23-6-22-10-13(19)20-5-21-14(10)23)3-9-18(27,32-11)17(25,26)4-8(30-9)16(24)29-2/h5-9,11-12,15,25-27H,3-4H2,1-2H3,(H2,19,20,21)/t7-,8+,9-,11+,12-,15-,18-/m1/s1","m_plus_h":"454.1569","m_plus_na":"476.1388","origin_reference":{"doi":"10.1021/np4006635","pmid":24533857,"authors":"Chai, Xingyun; Youn, Ui Joung; Sun, Dianqing; Dai, Jingqiu; Williams, Philip; Kondratyuk, Tamara P.; Borris, Robert P.; Davies, Julian; Villanueva, Ivan G.; Pezzuto, John M.; Chang, Leng Chee","title":"Herbicidin congeners, undecose nucleosides from an organic extract of Streptomyces sp. L-9-10","journal":"Journal of Natural Products","year":2014,"volume":"77","issue":"2","pages":"227-233"},"origin_organism":{"id":2607,"type":"Bacterium","genus":"Streptomyces","species":"sp. L-9-10","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np4006635","structure_smiles":"CO[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@@](O2)(C(C[C@H](O3)C(=O)OC)(O)O)O)O[C@H]1N4C=NC5=C4N=CN=C5N","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0012527"}],"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":"CO[C@@H]1[C@H]2O[C@]3(O)[C@@H](C[C@H]2O[C@H]1N1C=NC2=C1N=CN=C2N)O[C@@H](CC3(O)O)C(=O)OC","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=AZYCCECPGKXFKD-WZBVYVGFSA-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":["6-aminopurines","Alcohols and polyols","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Aminopyrimidines and derivatives","Azacyclic compounds","Azoles","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carbonyl hydrates","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Diazines","Ethers","Furans","Furopyrans","Glycosyl compounds","Glycosylamines","Hemiacetals","Heteroaromatic compounds","Hydrocarbon derivatives","Imidazoles","Imidazopyrimidines","Imidolactams","Methyl esters","Monocarboxylic acids and derivatives","Monosaccharides","N-substituted imidazoles","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","Oxolanes","Polyols","Primary amines","Purines and purine derivatives","Pyrans","Pyrimidines and pyrimidine derivatives","Substituted imidazoles"],"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 glycosylamines. 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