{"id":33312,"npaid":"NPA033312","original_name":"Depsibosamycin B","mol_formula":"C50H65N9O17","mol_weight":"1064.1160","exact_mass":"1063.4498","inchikey":"CGUZOSYTHIYGFW-VSGXLYRTSA-N","smiles":"COC1=C(C[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(N)=O)[C@@H](O)C(=O)O)COC(=O)CNC(=O)[C@H](CC(C)C)NC2=O)C=CC(O)=C1","cluster_id":9590,"node_id":6171,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C50H65N9O17/c1-24(2)16-32-42(65)52-22-39(63)76-23-37(47(70)56-36(45(68)53-32)20-28-10-15-31(62)21-38(28)75-5)57-48(71)40(41(64)49(72)73)59-46(69)33(17-25(3)4)54-43(66)34(18-26-6-11-29(60)12-7-26)55-44(67)35(58-50(51)74)19-27-8-13-30(61)14-9-27/h6-15,21,24-25,32-37,40-41,60-62,64H,16-20,22-23H2,1-5H3,(H,52,65)(H,53,68)(H,54,66)(H,55,67)(H,56,70)(H,57,71)(H,59,69)(H,72,73)(H3,51,58,74)/t32-,33-,34+,35-,36+,37-,40-,41+/m0/s1","m_plus_h":"1064.4571","m_plus_na":"1086.4390","origin_reference":{"doi":"10.3390/microorganisms9071396","pmid":34203385,"authors":"Stierhof, Marc; Myronovskyi, Maksym; Zapp, Josef; Luzhetskyy, Andriy","title":"Discovery and heterologous production of new cyclic depsibosamycins","journal":"Microorganisms","year":2021,"volume":"9","issue":"7","pages":"None"},"origin_organism":{"id":10760,"type":"Bacterium","genus":"Streptomyces","species":"aurantiacus LU19075","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":"10.3390/microorganisms9071396","structure_smiles":"COC1=C(C[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(N)=O)[C@@H](O)C(=O)O)COC(=O)CNC(=O)[C@H](CC(C)C)NC2=O)C=CC(O)=C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002360"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001813","name":"Peptidomimetics","chemont_id":"CHEMONTID:0001813","description":"Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."},"smiles":"COC1=C(C[C@H]2NC(=O)[C@H](COC(=O)CNC(=O)[C@H](CC(C)C)NC2=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(N)=O)[C@@H](O)C(O)=O)C=CC(O)=C1","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=CGUZOSYTHIYGFW-VSGXLYRTSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001961","name":"Depsipeptides","chemont_id":"CHEMONTID:0001961","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Alkyl aryl ethers","Alpha amino acid amides","Alpha amino acid esters","Alpha amino acids and derivatives","Alpha hydroxy acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Anisoles","Aspartic acid and derivatives","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carbohydrates and carbohydrate conjugates","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic depsipeptides","Depsipeptides","Dicarboxylic acids and derivatives","Ethers","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Hydroxy acids and derivatives","Lactams","Lactones","Leucine and derivatives","Lipids and lipid-like molecules","Macrolactams","Macrolide lactams","Methoxybenzenes","Methoxyphenols","Monosaccharides","N-acyl amines","N-acyl-alpha amino acids and derivatives","N-carbamoyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Peptidomimetics","Phenethylamines","Phenol ethers","Phenols","Phenoxy compounds","Phenylalanine and derivatives","Phenylpropanoids and polyketides","Secondary alcohols","Tyrosine and derivatives"],"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 cyclic depsipeptides. 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