{"id":1417,"npaid":"NPA001417","original_name":"Miuraenamide E","mol_formula":"C33H40BrN3O7","mol_weight":"670.6010","exact_mass":"669.2050","inchikey":"PFISZTVHMXNMTO-SDRVVIQWSA-N","smiles":"C[C@H]1CC/C(=C\\CCCC(=O)N[C@H](C(=O)N([C@@H](C(=O)NC(C(=O)O1)C(=O)C2=CC=CC=C2)CC3=CC(=C(C=C3)O)Br)C)C)/C","cluster_id":927,"node_id":800,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C33H40BrN3O7/c1-20-10-8-9-13-28(39)35-22(3)32(42)37(4)26(19-23-16-17-27(38)25(34)18-23)31(41)36-29(33(43)44-21(2)15-14-20)30(40)24-11-6-5-7-12-24/h5-7,10-12,16-18,21-22,26,29,38H,8-9,13-15,19H2,1-4H3,(H,35,39)(H,36,41)/b20-10-/t21-,22-,26+,29?/m0/s1","m_plus_h":"670.2123","m_plus_na":"692.1942","origin_reference":{"doi":"10.1002/asia.200700233","pmid":18022981,"authors":"Ojika, Makoto; Inukai, Yasutaka; Kito, Yuko; Hirata, Masayuki; Iizuka, Takashi; Fudou, Ryosuke","title":"Miuraenamides: Antimicrobial Cyclic Depsipeptides Isolated from a Rare and Slightly Halophilic Myxobacterium","journal":"Chemistry - An Asian Journal","year":2008,"volume":"3","issue":"1","pages":"126-133"},"origin_organism":{"id":1051,"type":"Bacterium","genus":"Paraliomyxa","species":"miuraensis strain SMH-27-4","taxon":{"id":192,"name":"Paraliomyxa","rank":"genus","taxon_db":"lpsn","external_id":null,"ncbi_id":null,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":168,"name":"Deltaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28221},{"id":169,"name":"Myxococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":29}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/asia.200700233","structure_smiles":"C[C@H]1CC/C(=C\\CCCC(=O)N[C@H](C(=O)N([C@@H](C(=O)NC(C(=O)O1)C(=O)C2=CC=CC=C2)CC3=CC(=C(C=C3)O)Br)C)C)/C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0007421"}],"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":"[H]\\C1=C(C)\\CC[C@]([H])(C)OC(=O)C([H])(N=C(O)[C@@]([H])(CC2=CC(Br)=C(O)C=C2)N(C)C(=O)[C@]([H])(C)N=C(O)CCC1)C(=O)C1=CC=CC=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=PFISZTVHMXNMTO-SDRVVIQWSA-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 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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","Alkyl-phenylketone","Macrolide","Macrolactam","Alpha-amino acid ester","Alpha-amino acid or derivatives","Phenylketone","Aryl alkyl ketone","Aryl ketone","2-bromophenol","2-halophenol","Benzoyl","1-hydroxy-2-unsubstituted benzenoid","Phenol","Halobenzene","Bromobenzene","Benzenoid","1,3-dicarbonyl compound","Monocyclic benzene moiety","Aryl halide","Aryl bromide","Cyclic carboximidic acid","Tertiary carboxylic acid amide","Lactone","Lactam","Ketone","Carboxylic acid ester","Carboxamide group","Oxacycle","Azacycle","Organoheterocyclic compound","Organic 1,3-dipolar compound","Propargyl-type 1,3-dipolar organic compound","Monocarboxylic acid or derivatives","Carboxylic acid derivative","Organic nitrogen compound","Organic oxygen compound","Organopnictogen compound","Organic oxide","Hydrocarbon derivative","Organooxygen compound","Organonitrogen compound","Organobromide","Organohalogen compound","Carbonyl group","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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