{"id":14280,"npaid":"NPA014280","original_name":"Sulfadixiamycin A","mol_formula":"C46H48N2O8S","mol_weight":"788.9630","exact_mass":"788.3131","inchikey":"JBUHSCUDVQFUJD-IPPPMHIGSA-N","smiles":"C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCC1=C2C=C2C(=C1)NC1=C2C=C(S(=O)(=O)N2C3=CC=CC=C3C3=CC4=C(C=C32)CC[C@@H]2[C@]4(C)CC[C@H](O)[C@@]2(C)C(=O)O)C=C1","cluster_id":616,"node_id":549,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C46H48N2O8S/c1-43-17-15-39(49)45(3,41(51)52)37(43)13-9-24-19-34-29(22-31(24)43)28-21-26(11-12-33(28)47-34)57(55,56)48-35-8-6-5-7-27(35)30-23-32-25(20-36(30)48)10-14-38-44(32,2)18-16-40(50)46(38,4)42(53)54/h5-8,11-12,19-23,37-40,47,49-50H,9-10,13-18H2,1-4H3,(H,51,52)(H,53,54)/t37-,38-,39+,40+,43-,44-,45+,46+/m1/s1","m_plus_h":"789.3204","m_plus_na":"811.3023","origin_reference":{"doi":"10.1002/anie.201506541","pmid":26366473,"authors":"Baunach, Martin; Ding, Ling; Willing, Karsten; Hertweck, Christian","title":"Bacterial Synthesis of Unusual Sulfonamide and Sulfone Antibiotics by Flavoenzyme-Mediated Sulfur Dioxide Capture","journal":"Angewandte Chemie International Edition","year":2015,"volume":"54","issue":"45","pages":"13279-13283"},"origin_organism":{"id":186,"type":"Bacterium","genus":"Streptomyces","species":"albus","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":"10.1002/anie.201506541","structure_smiles":"C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCC1=C2C=C2C(=C1)NC1=C2C=C(S(=O)(=O)N2C3=CC=CC=C3C3=CC4=C(C=C32)CC[C@@H]2[C@]4(C)CC[C@H](O)[C@@]2(C)C(=O)O)C=C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0014725"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000258","name":"Steroids and steroid derivatives","chemont_id":"CHEMONTID:0000258","description":"Compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. 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