{"id":17873,"npaid":"NPA017873","original_name":"Bogorol A","mol_formula":"C80H142N16O16","mol_weight":"1584.1120","exact_mass":"1583.0790","inchikey":"OUGJGNKKLVPBBE-XOWHIZSUSA-N","smiles":"CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)N[C@H](CO)C(C)C)NC(=O)[C@@H](CCCN)NC(=O)C(CC(C)C)NC(=O)/C(=C\\C)/NC(=O)[C@H]([C@@H](C)CC)O","cluster_id":353,"node_id":318,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C80H142N16O16/c1-20-50(18)66(96-71(103)57(30-27-37-83)86-72(104)58(38-43(4)5)88-68(100)54(22-3)84-80(112)67(99)51(19)21-2)79(111)95-65(49(16)17)78(110)94-64(48(14)15)76(108)87-56(29-24-26-36-82)70(102)93-63(47(12)13)77(109)91-60(40-45(8)9)73(105)85-55(28-23-25-35-81)69(101)90-61(41-52-31-33-53(98)34-32-52)75(107)89-59(39-44(6)7)74(106)92-62(42-97)46(10)11/h22,31-34,43-51,55-67,97-99H,20-21,23-30,35-42,81-83H2,1-19H3,(H,84,112)(H,85,105)(H,86,104)(H,87,108)(H,88,100)(H,89,107)(H,90,101)(H,91,109)(H,92,106)(H,93,102)(H,94,110)(H,95,111)(H,96,103)/b54-22+/t50-,51-,55?,56?,57+,58?,59?,60?,61+,62+,63-,64-,65-,66-,67-/m0/s1","m_plus_h":"1584.0863","m_plus_na":"1606.0682","origin_reference":{"doi":"10.1021/ol006942q","pmid":null,"authors":"Barsby, Todd; Kelly, Michael T; Gagné, Stéphane M; Andersen, Raymond J","title":"Bogorol A produced in culture by a marine Bacillus sp. reveals a novel template for cationic peptide antibiotics","journal":"Organic Letters","year":2001,"volume":"3","issue":"3","pages":"437-440"},"origin_organism":{"id":319,"type":"Bacterium","genus":"Bacillus","species":"sp.","taxon":{"id":379,"name":"Bacillus","rank":"genus","taxon_db":"lpsn","external_id":"515217","ncbi_id":1386,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":372,"name":"Firmicutes","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1239},{"id":373,"name":"Bacilli","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":91061},{"id":374,"name":"Bacillales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1385},{"id":377,"name":"Bacillaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":186817}]}},"syntheses":["10.1021/acs.orglett.5b00769"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/ol006942q","structure_smiles":"CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)N[C@H](CO)C(C)C)NC(=O)[C@@H](CCCN)NC(=O)C(CC(C)C)NC(=O)/C(=C\\C)/NC(=O)[C@H]([C@@H](C)CC)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001532"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003298","name":"Polypeptides","chemont_id":"CHEMONTID:0003298","description":"Peptides containing ten or more amino acid residues."},"smiles":"CC[C@H](C)[C@H](O)C(=O)N\\C(=C\\C)C(=O)NC(CC(C)C)C(=O)N[C@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)NC(CC(C)C)C(=O)N[C@H](CO)C(C)C","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=OUGJGNKKLVPBBE-XOWHIZSUSA-N","subclass":null,"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Benzene and substituted derivatives","Benzenoids","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Isoleucine and derivatives","Leucine and derivatives","Lipids and lipid-like molecules","Monoalkylamines","Monosaccharides","N-acyl amines","N-acyl-alpha amino acids and derivatives","Organic Polymers","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Phenethylamines","Phenols","Phenylalanine and derivatives","Polypeptides","Primary alcohols","Primary amines","Secondary alcohols","Secondary carboxylic acid amides","Tyrosine and derivatives","Valine and derivatives"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003297","name":"Organic Polymers","chemont_id":"CHEMONTID:0003297","description":"Organic compounds, generally large molecules or macromolecules, which are composed of many repeating units."},"description":"This compound belongs to the class of organic compounds known as polypeptides. 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