{"id":17600,"npaid":"NPA017600","original_name":"Durhamycin B","mol_formula":"C56H82O25","mol_weight":"1155.2470","exact_mass":"1154.5145","inchikey":"ICFBIVXFINBMRC-DBYMNNJYSA-N","smiles":"CCC(C)C1=C(C2=C(C3=C(CC(C(C3=O)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@H]([C@H](O5)C)OC(=O)C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O)C(C(=O)C(C(C)O)O)OC)C=C2C=C1O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O)O)O","cluster_id":1662,"node_id":1358,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C56H82O25/c1-11-20(2)42-33(77-39-17-34(48(64)24(6)73-39)78-37-15-31(59)46(62)22(4)71-37)14-29-12-28-13-30(55(70-10)53(69)45(61)21(3)57)56(52(68)44(28)51(67)43(29)50(42)66)81-41-18-35(49(65)25(7)74-41)79-40-19-36(54(26(8)75-40)76-27(9)58)80-38-16-32(60)47(63)23(5)72-38/h12,14,20-26,30-32,34-41,45-49,54-57,59-67H,11,13,15-19H2,1-10H3/t20?,21?,22-,23-,24-,25-,26-,30?,31-,32-,34-,35-,36-,37+,38+,39+,40+,41+,45?,46-,47-,48-,49-,54+,55?,56?/m1/s1","m_plus_h":"1155.5218","m_plus_na":"1177.5037","origin_reference":{"doi":"10.3410/f.1003977.152960","pmid":12193009,"authors":"Jayasuriya, Hiranthi; Lingham, Russell B; Graham, Pia; Quamina, Donette; Herranz, Lucia; Genilloud, Olga; Gagliardi, Magda; Danzeisen, Renee; Tomassini, Joanne E; Zink, Deborah L; Guan, Ziqiang; Singh, Sheo B","title":"Durhamycin A, a potent inhibitor of HIV Tat transactivation","journal":"Journal of Natural Products","year":2002,"volume":"65","issue":"8","pages":"1091-1095"},"origin_organism":{"id":5291,"type":"Bacterium","genus":"Actinoplanes","species":"durhamensis","taxon":{"id":248,"name":"Actinoplanes","rank":"genus","taxon_db":"lpsn","external_id":"515039","ncbi_id":1865,"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":246,"name":"Micromonosporales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85008},{"id":247,"name":"Micromonosporaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":28056}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3410/f.1003977.152960","structure_smiles":"CCC(C)C1=C(C2=C(C3=C(CC(C(C3=O)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@H]([C@H](O5)C)OC(=O)C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O)C(C(=O)C(C(C)O)O)OC)C=C2C=C1O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0004276"}],"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":"CCC(C)C1=C(O)C2=C(O)C3=C(CC(C(OC)C(=O)C(O)C(C)O)C(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@H](O)[C@@H](C)O6)[C@@H](OC(C)=O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)C3=O)C=C2C=C1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)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=ICFBIVXFINBMRC-DBYMNNJYSA-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":["1-hydroxy-4-unsubstituted benzenoids","Acetals","Acyloins","Alcohols and polyols","Alpha-hydroxy ketones","Anthracenes","Aryl alkyl ketones","Aryl ketones","Benzenoids","Beta-hydroxy ketones","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Ethers","Glycosyl compounds","Hydrocarbon derivatives","Ketones","Monocarboxylic acids and derivatives","Naphthalenes","Naphthols and derivatives","O-glycosyl compounds","Oligosaccharides","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","Phenols","Secondary alcohols","Tetralins","Vinylogous acids"],"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 oligosaccharides. 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