{"id":32933,"npaid":"NPA032933","original_name":"Azetidomonamide A","mol_formula":"C11H12N2O4","mol_weight":"236.2270","exact_mass":"236.0797","inchikey":"AIECUUXSLHXKBY-UFUPEUMYSA-N","smiles":"C/C=C/C(=O)NC1=CC=C2[C@H](O)CN2C(=O)O1","cluster_id":9507,"node_id":6363,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C11H12N2O4/c1-2-3-9(15)12-10-5-4-7-8(14)6-13(7)11(16)17-10/h2-5,8,14H,6H2,1H3,(H,12,15)/b3-2+/t8-/m1/s1","m_plus_h":"237.0870","m_plus_na":"259.0689","origin_reference":{"doi":"10.1002/anie.201809981","pmid":30548135,"authors":"Hong, Zhilai; Bolard, Arnaud; Giraud, Caroline; Prévost, Sébastien; Genta-Jouve, Grégory; Deregnaucourt, Christiane; Häussler, Susanne; Jeannot, Katy; Li, Yanyan","title":"Azetidine-Containing Alkaloids Produced by a Quorum-Sensing Regulated Nonribosomal Peptide Synthetase Pathway in Pseudomonas aeruginosa","journal":"Angewandte Chemie International Edition","year":2019,"volume":"58","issue":"10","pages":"3178-3182"},"origin_organism":{"id":10663,"type":"Bacterium","genus":"Pseudomonas","species":"aeruginosa PAO1","taxon":{"id":86,"name":"Pseudomonas","rank":"genus","taxon_db":"lpsn","external_id":"517405","ncbi_id":286,"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":79,"name":"Gammaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":1236},{"id":80,"name":"Pseudomonadales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":72274},{"id":84,"name":"Pseudomonadaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":135621}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/anie.201809981","structure_smiles":"C/C=C/C(=O)NC1=CC=C2[C@H](O)CN2C(=O)O1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002037"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00010011903%Azetidomonamide A%3"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000066","name":"Oxazepines","chemont_id":"CHEMONTID:0000066","description":"Compounds containing an oxazepine moiety, which consists of an unsaturated aliphatic seven-member ring with one oxygen atom, a nitrogen atom, and five carbon atoms. Isomers  of oxazepine include 1,2-oxazepine, 1,3-oxazepine,and 1,4-oxazepine."},"smiles":"C\\C=C\\C(=O)NC1=CC=C2[C@H](O)CN2C(=O)O1","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=AIECUUXSLHXKBY-UFUPEUMYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001340","name":"1,3-oxazepines","chemont_id":"CHEMONTID:0001340","description":"Organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 3, respectively."},"ancestors":["1,3-oxazepines","Alcohols and polyols","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azetidinecarboxylic acids","Azetidinecarboxylic acids or derivatives","Azetidines","Carbamate esters","Carbamic acids and derivatives","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Fatty Acyls","Fatty amides","Hydrocarbon derivatives","Lipids and lipid-like molecules","N-acyl amines","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxazepines","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as 1,3-oxazepines. 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The general formula of the carboxylic acid amide is R1C(=O)N(R2)R3 (R1,R2,R3=H, alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004139","name":"Azacyclic compounds","chemont_id":"CHEMONTID:0004139","description":"Organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004557","name":"Organopnictogen compounds","chemont_id":"CHEMONTID:0004557","description":"Compounds containing a bond between carbon a pnictogen atom. 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