{"id":12324,"npaid":"NPA012324","original_name":"Oxalomycin B","mol_formula":"C35H49N3O9","mol_weight":"655.7890","exact_mass":"655.3469","inchikey":"ZZNSFVQRQDZGGX-XRDXNDOHSA-N","smiles":"CC1C(=O)N(C2(C1(C(CC(C)C(/C=C/C=C/CNC(=O)C(C)(C)C(/C(=C/C=C/C=C/CC3=CN=CO3)/C)O)O)OC)O)COC2=O)C","cluster_id":35,"node_id":34,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C35H49N3O9/c1-23(15-11-8-9-12-16-26-20-36-22-47-26)29(40)33(4,5)31(42)37-18-14-10-13-17-27(39)24(2)19-28(45-7)35(44)25(3)30(41)38(6)34(35)21-46-32(34)43/h8-15,17,20,22,24-25,27-29,39-40,44H,16,18-19,21H2,1-7H3,(H,37,42)/b11-8+,12-9+,14-10+,17-13+,23-15+","m_plus_h":"656.3542","m_plus_na":"678.3361","origin_reference":{"doi":"10.1271/bbb.62.438","pmid":9571773,"authors":"Kanzaki, H; Wada, K; Nitoda, T; Kawazu, K","title":"Novel bioactive oxazolomycin isomers produced by Streptomyces albus JA3453","journal":"Bioscience Biotechnology and Biochemistry","year":1998,"volume":"62","issue":"3","pages":"438-442"},"origin_organism":{"id":4453,"type":"Bacterium","genus":"Streptomyces","species":"albus JA3453","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":"10.1271/bbb.62.438","structure_smiles":"CC1C(=O)N(C2(C1(C(CC(C)C(/C=C/C=C/CNC(=O)C(C)(C)C(/C(=C/C=C/C=C/CC3=CN=CO3)/C)O)O)OC)O)COC2=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001106"},{"external_db_name":"npmrd","external_db_code":"NP0023700"}],"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":"COC(CC(C)C(O)\\C=C\\C=C\\CNC(=O)C(C)(C)C(O)C(\\C)=C\\C=C\\C=C\\CC1=CN=CO1)C1(O)C(C)C(=O)N(C)C11COC1=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=ZZNSFVQRQDZGGX-XRDXNDOHSA-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":["Alcohols and polyols","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azoles","Beta propiolactones","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Ethers","Fatty Acyls","Fatty amides","Heteroaromatic compounds","Hydrocarbon derivatives","Lactams","Lactones","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","N-acyl amines","N-alkylpyrrolidines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxazoles","Oxetanes","Oxoprolines","Pyrrolidine-2-ones","Pyrrolidines","Pyrrolidones","Secondary alcohols","Secondary carboxylic acid amides","Tertiary alcohols","Tertiary carboxylic acid amides"],"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 alpha amino acids and derivatives. 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