{"id":1352,"npaid":"NPA001352","original_name":"Mediomycin A","mol_formula":"C62H97NO18S","mol_weight":"1176.5140","exact_mass":"1175.6426","inchikey":"RDEZRSOXSQHNOU-XTQYLRKSSA-N","smiles":"C[C@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/CC(C(C)C(=O)C[C@@H](C[C@@H](/C=C/C[C@@H](C[C@@H](C[C@H](/C=C/C[C@@H](C[C@H](/C=C/C[C@@H](C[C@@H](CCCN)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)[C@@H](C(C)/C=C/CC/C=C/C=C/C=C(\\C)/C(=O)O)O","cluster_id":892,"node_id":773,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C62H97NO18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(76)77)61(75)48(4)58(73)36-21-17-13-8-6-5-7-9-14-18-22-37-60(81-82(78,79)80)47(3)59(74)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,64-73,75H,11,15,26,30-31,33,35,37-44,63H2,1-4H3,(H,76,77)(H,78,79,80)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+/t45?,47?,48-,49+,50+,51+,52+,53+,54-,55-,56-,57-,58+,60?,61-/m1/s1","m_plus_h":"1176.6499","m_plus_na":"1198.6318","origin_reference":{"doi":"10.1021/np060542f","pmid":17315962,"authors":"Cai, Ping; Kong, Fangming; Fink, Pamela; Ruppen, Mark E.; Williamson, R. Thomas; Keiko, Tabei","title":"Polyene antibiotics from Streptomyces mediocidicus","journal":"Journal of Natural Products","year":2007,"volume":"70","issue":"2","pages":"215-219"},"origin_organism":{"id":1013,"type":"Bacterium","genus":"Streptomyces","species":"mediocidicus ATCC23936","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/np060542f","structure_smiles":"C[C@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/CC(C(C)C(=O)C[C@@H](C[C@@H](/C=C/C[C@@H](C[C@@H](C[C@H](/C=C/C[C@@H](C[C@H](/C=C/C[C@@H](C[C@@H](CCCN)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)[C@@H](C(C)/C=C/CC/C=C/C=C/C=C(\\C)/C(=O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001662"},{"external_db_name":"mibig","external_db_code":"BGC0002356"},{"external_db_name":"npmrd","external_db_code":"NP0006921"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003909","name":"Fatty Acyls","chemont_id":"CHEMONTID:0003909","description":"Organic molecules synthesized by chain elongation of an acetyl-CoA primer with malonyl-CoA (or methylmalonyl-CoA) groups that might contain a cyclic functionality and/or are substituted with heteroatoms."},"smiles":"[H]\\C(CC\\C([H])=C(/[H])C([H])(C)[C@@]([H])(O)[C@]([H])(C)[C@@]([H])(O)C(\\[H])=C(/[H])\\C(\\[H])=C(/[H])\\C(\\[H])=C(/[H])\\C(\\[H])=C(/[H])\\C(\\[H])=C(/[H])\\C(\\[H])=C(/[H])CC([H])(OS(O)(=O)=O)C([H])(C)C(=O)C[C@]([H])(O)C[C@]([H])(O)C(\\[H])=C(/[H])C[C@]([H])(O)C[C@]([H])(O)C[C@@]([H])(O)C(\\[H])=C(/[H])C[C@]([H])(O)C[C@@]([H])(O)C(\\[H])=C(/[H])C[C@]([H])(O)C[C@]([H])(O)CCCN)=C(\\[H])/C(/[H])=C(\\[H])/C(/[H])=C(\\C)C(O)=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=RDEZRSOXSQHNOU-XTQYLRKSSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000262","name":"Fatty acids and conjugates","chemont_id":"CHEMONTID:0000262","description":"Aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms)."},"ancestors":["Alcohols and polyols","Alkyl sulfates","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Beta-hydroxy ketones","Branched fatty acids","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty acids and conjugates","Hydrocarbon derivatives","Hydroxy fatty acids","Ketones","Lipids and lipid-like molecules","Methyl-branched fatty acids","Monoalkylamines","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organic sulfuric acids and derivatives","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Polyols","Primary amines","Secondary alcohols","Sulfated fatty acids","Sulfuric acid esters","Sulfuric acid monoesters","Unsaturated fatty acids","Very long-chain fatty acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as very long-chain fatty acids. 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