{"id":33074,"npaid":"NPA033074","original_name":"Frankobactin B3","mol_formula":"C33H53N9O14","mol_weight":"799.8360","exact_mass":"799.3712","inchikey":"FODDHTHRAYJPCC-OUBBJWQNSA-N","smiles":"C[C@@H](O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)C1=CC=CC=C1O)C(=O)N(C)[C@@H](CCCNO)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN(O)C=O)C(=O)O","cluster_id":34,"node_id":33,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C33H53N9O14/c1-19(45)27(40-26(47)16-35-29(49)23(17-43)39-28(48)20-8-3-4-12-25(20)46)32(52)41(2)24(11-6-14-36-55)31(51)37-21(9-5-13-34)30(50)38-22(33(53)54)10-7-15-42(56)18-44/h3-4,8,12,18-19,21-24,27,36,43,45-46,55-56H,5-7,9-11,13-17,34H2,1-2H3,(H,35,49)(H,37,51)(H,38,50)(H,39,48)(H,40,47)(H,53,54)/t19-,21+,22+,23+,24+,27-/m1/s1","m_plus_h":"800.3785","m_plus_na":"822.3604","origin_reference":{"doi":"10.1021/acs.jnatprod.0c01291","pmid":33789052,"authors":"Mohr, Jan Frieder; Baldeweg, Florian; Deicke, Michael; Morales-Reyes, Cristina F; Hoffmeister, Dirk; Wichard, Thomas","title":"Frankobactin Metallophores Produced by Nitrogen-Fixing Frankia Actinobacteria Function in Toxic Metal Sequestration.","journal":"Journal of Natural Products","year":2021,"volume":"84","issue":"4","pages":"1216-1225"},"origin_organism":{"id":10703,"type":"Bacterium","genus":"Frankia","species":"sp. CH37","taxon":{"id":322,"name":"Frankia","rank":"genus","taxon_db":"lpsn","external_id":"515654","ncbi_id":1854,"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":320,"name":"Frankiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85013},{"id":321,"name":"Frankiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":74712}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.jnatprod.0c01291","structure_smiles":"C[C@@H](O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)C1=CC=CC=C1O)C(=O)N(C)[C@@H](CCCNO)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN(O)C=O)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002409"},{"external_db_name":"mibig","external_db_code":"BGC0002410"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"C[C@@H](O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)C1=CC=CC=C1O)C(=O)N(C)[C@@H](CCCNO)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN(O)C=O)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=FODDHTHRAYJPCC-OUBBJWQNSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Benzamides","Benzene and substituted derivatives","Benzenoids","Benzoic acids and derivatives","Benzoyl derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty amides","Hippuric acids and derivatives","Hydrocarbon derivatives","Hydroxybenzoic acid derivatives","Lipids and lipid-like molecules","Monoalkylamines","Monocarboxylic acids and derivatives","N-acyl amines","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","N-organohydroxylamines","Oligopeptides","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Phenols","Primary amines","Salicylamides","Salicylic acid and derivatives","Secondary alcohols","Serine and derivatives","Tertiary carboxylic acid amides","Vinylogous acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as oligopeptides. 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