{"id":11131,"npaid":"NPA011131","original_name":"Thaxtomin C","mol_formula":"C21H20N4O4","mol_weight":"392.4150","exact_mass":"392.1485","inchikey":"IAIWBAHUWORDTI-WMZOPIPTSA-N","smiles":"CN1[C@H](C(=O)N[C@H](C1=O)CC2=CC=CC=C2)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-]","cluster_id":994,"node_id":856,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C21H20N4O4/c1-24-18(11-14-12-22-15-8-5-9-17(19(14)15)25(28)29)20(26)23-16(21(24)27)10-13-6-3-2-4-7-13/h2-9,12,16,18,22H,10-11H2,1H3,(H,23,26)/t16-,18-/m0/s1","m_plus_h":"393.1558","m_plus_na":"415.1377","origin_reference":{"doi":"10.1021/jf00017a025","pmid":null,"authors":"King, Russell R; Lawrence, C Harold; Calhoun, Larry A","title":"Chemistry of phytotoxins associated with Streptomyces scabies the causal organism of potato common scab","journal":"Journal of Agricultural and Food Chemistry","year":1992,"volume":"40","issue":"5","pages":"834-837"},"origin_organism":{"id":1118,"type":"Bacterium","genus":"Streptomyces","species":"scabies","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/jf00017a025","structure_smiles":"CN1[C@H](C(=O)N[C@H](C1=O)CC2=CC=CC=C2)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-]","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002089"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005724280%Thaxtomin C%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005724286%Thaxtomin C%3"},{"external_db_name":"npmrd","external_db_code":"NP0162756"}],"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":"CN1[C@@H](CC2=CNC3=C2C(=CC=C3)[N+]([O-])=O)C(=O)N[C@@H](CC2=CC=CC=C2)C1=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=IAIWBAHUWORDTI-WMZOPIPTSA-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":["2,5-dioxopiperazines","3-alkylindoles","Allyl-type 1,3-dipolar organic compounds","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","C-nitro compounds","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Diazinanes","Dioxopiperazines","Heteroaromatic compounds","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Lactams","N-alkylpiperazines","N-methylpiperazines","Nitroaromatic compounds","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitro compounds","Organic nitrogen compounds","Organic oxides","Organic oxoazanium compounds","Organic oxygen compounds","Organic salts","Organic zwitterions","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Piperazines","Propargyl-type 1,3-dipolar organic compounds","Pyrroles","Secondary carboxylic acid amides","Substituted pyrroles","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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