{"id":20042,"npaid":"NPA020042","original_name":"Enduracidin B","mol_formula":"C107H138Cl2N26O31","mol_weight":"2355.3380","exact_mass":"2352.9398","inchikey":"IPZGNBNNEDCXBK-KWKAUDIHSA-N","smiles":"CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C2=CC=C(C=C2)O)C)CC3CN=C(N3)N)C4=CC(=C(C(=C4)Cl)O)Cl)CO)C5=CC=C(C=C5)O)CC6CN=C(N6)N)CCCNC(=O)N)C(C)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C(C)O)CCCN)C9=CC=C(C=C9)O)NC(=O)C(CC(=O)O)NC(=O)/C=C/C=C/CCCCC(C)C","cluster_id":6381,"node_id":4418,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C107H138Cl2N26O31/c1-50(2)15-11-9-7-8-10-12-18-76(144)121-74(45-78(146)147)94(154)129-81-54(6)166-104(164)87(59-27-37-67(143)38-28-59)135-89(149)51(3)118-92(152)72(43-61-46-116-105(111)119-61)122-77(145)48-115-96(156)86(60-41-68(108)88(148)69(109)42-60)131-95(155)75(49-136)126-101(161)82(55-19-29-63(139)30-20-55)130-93(153)73(44-62-47-117-106(112)120-62)125-90(150)71(17-14-40-114-107(113)165)123-97(157)79(52(4)137)128-102(162)84(57-23-33-65(141)34-24-57)134-103(163)85(58-25-35-66(142)36-26-58)132-98(158)80(53(5)138)127-91(151)70(16-13-39-110)124-100(160)83(133-99(81)159)56-21-31-64(140)32-22-56/h8,10,12,18-38,41-42,50-54,61-62,70-75,79-87,136-143,148H,7,9,11,13-17,39-40,43-49,110H2,1-6H3,(H,115,156)(H,118,152)(H,121,144)(H,122,145)(H,123,157)(H,124,160)(H,125,150)(H,126,161)(H,127,151)(H,128,162)(H,129,154)(H,130,153)(H,131,155)(H,132,158)(H,133,159)(H,134,163)(H,135,149)(H,146,147)(H3,111,116,119)(H3,112,117,120)(H3,113,114,165)/b10-8+,18-12+","m_plus_h":"2353.9471","m_plus_na":"2375.9290","origin_reference":{"doi":"10.1248/cpb.21.1184","pmid":null,"authors":"Iwasaki, H.; Horii, S.; Asai, M.; Mizuno, K.; Ueyanagi, J.; Miyake, A.","title":"Enduracidin, a New Antibiotic. VIII. Structures of Enduracidins A and B","journal":"Chemical and Pharmaceutical Bulletin","year":1973,"volume":"21","issue":"6","pages":"1184-1191"},"origin_organism":{"id":5614,"type":"Bacterium","genus":"Streptomyces","species":"fungicidicus B-5477","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":"10.1248/cpb.21.1184","structure_smiles":"CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C2=CC=C(C=C2)O)C)CC3CN=C(N3)N)C4=CC(=C(C(=C4)Cl)O)Cl)CO)C5=CC=C(C=C5)O)CC6CN=C(N6)N)CCCNC(=O)N)C(C)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C(C)O)CCCN)C9=CC=C(C=C9)O)NC(=O)C(CC(=O)O)NC(=O)/C=C/C=C/CCCCC(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000341"}],"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":"CC(C)CCCC\\C=C\\C=C\\C(=O)NC(CC(O)=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(C)NC(=O)C(CC2CNC(N)=N2)NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC2CNC(N)=N2)NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCCN)NC(=O)C(NC1=O)C1=CC=C(O)C=C1)C(C)O)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C(C)O)C1=CC=C(O)C=C1)C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC=C(O)C=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=IPZGNBNNEDCXBK-KWKAUDIHSA-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","Alpha amino acid amides","Alpha amino acid esters","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Aryl chlorides","Aryl halides","Aspartic acid and derivatives","Azacyclic compounds","Azoles","Azolines","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboximidamides","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Chlorobenzenes","Chlorophenols","Cyclic depsipeptides","Depsipeptides","Dicarboxylic acids and derivatives","Dichlorobenzenes","Fatty Acyls","Fatty amides","Guanidines","Halobenzenes","Halophenols","Hydrocarbon derivatives","Imidazoles","Imidazolines","Imidazolyl carboxylic acids and derivatives","Lactams","Lactones","Lipids and lipid-like molecules","Macrolactams","Macrolide lactams","Macrolides and analogues","Monoalkylamines","N-acyl amines","N-acyl-alpha amino acids and derivatives","O-chlorophenols","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Peptidomimetics","Phenols","Phenylpropanoids and polyketides","Primary alcohols","Primary amines","Propargyl-type 1,3-dipolar organic compounds","Secondary alcohols","Secondary carboxylic acid amides","Substituted imidazoles","Ureas"],"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. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.","substituents":["Cyclic depsipeptide","Aspartic acid or derivatives","Macrolide lactam","Alpha-amino acid ester","N-acyl-alpha amino acid or derivatives","Macrolide","Macrolactam","Alpha-amino acid amide","N-substituted-alpha-amino acid","Alpha-amino acid or derivatives","2-halophenol","2-chlorophenol","1,3-dichlorobenzene","Imidazolyl carboxylic acid derivative","1-hydroxy-2-unsubstituted benzenoid","Halobenzene","Chlorobenzene","Phenol","Aryl chloride","Aryl halide","Fatty acyl","N-acyl-amine","Monocyclic benzene moiety","Fatty amide","Benzenoid","Dicarboxylic acid or derivatives","2-imidazoline","Carbonic acid derivative","Carboxamide group","Amino acid or derivatives","Lactone","Carboxylic acid ester","Guanidine","Amino acid","Urea","Lactam","Secondary carboxylic acid amide","Secondary alcohol","Oxacycle","Azacycle","Organoheterocyclic compound","Organic 1,3-dipolar compound","Carboxylic acid derivative","Propargyl-type 1,3-dipolar organic compound","Carboxylic acid","Carboximidamide","Hydrocarbon derivative","Amine","Organic oxide","Organopnictogen compound","Carbonyl group","Organic oxygen compound","Organic nitrogen compound","Alcohol","Primary amine","Primary alcohol","Organooxygen compound","Organonitrogen compound","Organochloride","Organohalogen compound","Primary aliphatic amine","Aromatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001994","name":"Cyclic depsipeptides","chemont_id":"CHEMONTID:0001994","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. 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They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides."},{"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."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002309","name":"Alpha amino acid amides","chemont_id":"CHEMONTID:0002309","description":"Amide derivatives of alpha amino acids."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002564","name":"Dichlorobenzenes","chemont_id":"CHEMONTID:0002564","description":"Compounds containing a benzene with exactly two chlorine atoms attached to it."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001227","name":"Imidazolyl carboxylic acids and derivatives","chemont_id":"CHEMONTID:0001227","description":"Organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002771","name":"O-chlorophenols","chemont_id":"CHEMONTID:0002771","description":"Chlorophenols carrying a iodine at the C2 position of the benzene ring."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004646","name":"1-hydroxy-2-unsubstituted benzenoids","chemont_id":"CHEMONTID:0004646","description":"Phenols that a unsubstituted at the 2-position."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001030","name":"Aryl chlorides","chemont_id":"CHEMONTID:0001030","description":"Organic compounds containing the acyl chloride functional group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000346","name":"Dicarboxylic acids and derivatives","chemont_id":"CHEMONTID:0000346","description":"Organic compounds containing exactly two carboxylic acid groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001096","name":"N-acyl 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