{"id":1973,"npaid":"NPA001973","original_name":"JBIR-34","mol_formula":"C21H25ClN4O7","mol_weight":"480.9050","exact_mass":"480.1412","inchikey":"OTAMFIXIIUUMKV-JGMWFTNYSA-N","smiles":"CC1=C(C=C2C(=C1O)C(=CN2C)C3=N[C@@](CO3)(C)C(=O)N[C@H](C)C(=O)N[C@@H](CO)C(=O)O)Cl","cluster_id":1235,"node_id":1047,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C21H25ClN4O7/c1-9-12(22)5-14-15(16(9)28)11(6-26(14)4)18-25-21(3,8-33-18)20(32)23-10(2)17(29)24-13(7-27)19(30)31/h5-6,10,13,27-28H,7-8H2,1-4H3,(H,23,32)(H,24,29)(H,30,31)/t10-,13+,21-/m1/s1","m_plus_h":"481.1485","m_plus_na":"503.1304","origin_reference":{"doi":"10.1021/np900810r","pmid":20146504,"authors":"Motohashi, Keiichiro; Takagi, Motoki; Shin-ya, Kazuo","title":"Tetrapeptides possessing a unique skeleton, JBIR-34 and JBIR-35, isolated from a sponge-derived actinomycete, streptomyces sp. Sp080513GE-23","journal":"Journal of Natural Products","year":2010,"volume":"73","issue":"2","pages":"226-228"},"origin_organism":{"id":1375,"type":"Bacterium","genus":"Streptomyces","species":"sp. Sp080513GE-23","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":"10.1021/np900810r","structure_smiles":"CC1=C(C=C2C(=C1O)C(=CN2C)C3=N[C@@](CO3)(C)C(=O)N[C@H](C)C(=O)N[C@@H](CO)C(=O)O)Cl","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000376"},{"external_db_name":"npmrd","external_db_code":"NP0008990"}],"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](NC(=O)[C@@]1(C)COC(=N1)C1=CN(C)C2=CC(Cl)=C(C)C(O)=C12)C(=O)N[C@@H](CO)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=OTAMFIXIIUUMKV-JGMWFTNYSA-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-4-unsubstituted benzenoids","Alanine and derivatives","Alcohols and polyols","Alpha amino acid amides","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Aryl chlorides","Aryl halides","Azacyclic compounds","Azolines","Benzenoids","Beta hydroxy acids and derivatives","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Halophenols","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxy acids and derivatives","Hydroxyindoles","Indoles","Indoles and derivatives","Monocarboxylic acids and derivatives","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","N-alkylindoles","N-methylpyrroles","N-substituted pyrroles","Oligopeptides","Organic 1,3-dipolar compounds","Organic 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","Oxazolines","Peptides","Phenols","Primary alcohols","Propargyl-type 1,3-dipolar organic compounds","Pyrroles","Secondary carboxylic acid amides","Serine and derivatives","Substituted pyrroles"],"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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