{"id":11087,"npaid":"NPA011087","original_name":"Borrelidin","mol_formula":"C28H43NO6","mol_weight":"489.6530","exact_mass":"489.3090","inchikey":"OJCKRNPLOZHAOU-UGKRXNSESA-N","smiles":"C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C\\C=C\\C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C","cluster_id":4338,"node_id":3193,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1","m_plus_h":"490.3163","m_plus_na":"512.2982","origin_reference":{"doi":"10.1002/hlca.19670500303","pmid":5584833,"authors":"Keller‐Schierlein, W","title":"Metabolic products of microorganisms. Concerning the constitution of borrelidin","journal":"Helvetica Chimica Acta","year":1967,"volume":"50","issue":"3","pages":"731-753"},"origin_organism":{"id":2358,"type":"Bacterium","genus":"Streptomyces","species":"rochei","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":["10.1021/ja030139k","10.1002/anie.200460203","10.1002/chem.201001284","10.1021/jo062089i","10.1002/chem.200600343","10.1021/ol049356w","10.1021/ja028941u"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/hlca.19670500303","structure_smiles":"C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C\\C=C\\C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000031"},{"external_db_name":"mibig","external_db_code":"BGC0001533"},{"external_db_name":"npmrd","external_db_code":"NP0021679"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000147","name":"Macrolides and analogues","chemont_id":"CHEMONTID:0000147","description":"Organic compounds containing a lactone ring of at least twelve members."},"smiles":"C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N","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=OJCKRNPLOZHAOU-UGKRXNSESA-N","subclass":null,"ancestors":["Alcohols and polyols","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dicarboxylic acids and derivatives","Hydrocarbon derivatives","Lactones","Macrolides and analogues","Nitriles","Organic acids and derivatives","Organic compounds","Organic cyanides","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Phenylpropanoids and polyketides","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000261","name":"Phenylpropanoids and polyketides","chemont_id":"CHEMONTID:0000261","description":"Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). 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