{"id":2555,"npaid":"NPA002555","original_name":"Serratin","mol_formula":"C12H21NO4","mol_weight":"243.3030","exact_mass":"243.1471","inchikey":"STXCXCAUQNUQQP-ZJUUUORDSA-N","smiles":"CCCCCC[C@@H]1CC(=O)N[C@H](C(=O)O1)CO","cluster_id":null,"node_id":null,"has_exclusions":true,"synonyms":[],"inchi":"InChI=1S/C12H21NO4/c1-2-3-4-5-6-9-7-11(15)13-10(8-14)12(16)17-9/h9-10,14H,2-8H2,1H3,(H,13,15)/t9-,10+/m1/s1","m_plus_h":"244.1544","m_plus_na":"266.1363","origin_reference":{"doi":"10.1080/14786419.2011.650638","pmid":22364642,"authors":"Luna; García; Trigos","title":"Serratin a new metabolite obtained from Serratia marcescens, a bacterium isolated from the microflora associated with banana plantations","journal":"Natural Product Research","year":2013,"volume":"27","issue":"1","pages":"49-53"},"origin_organism":{"id":1677,"type":"Bacterium","genus":"Serratia","species":"marcescens","taxon":{"id":107,"name":"Serratia","rank":"genus","taxon_db":"lpsn","external_id":"516590","ncbi_id":613,"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":87,"name":"Enterobacterales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":91347},{"id":106,"name":"Yersiniaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1903411}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1080/14786419.2011.650638","structure_smiles":"CCCCCC[C@@H]1CC(=O)N[C@H](C(=O)O1)CO","is_reassignment":false,"version":1}],"exclusions":[{"exclusion_type":"Structure flagged during revision as not known","reference_doi":"10.1021/acs.joc.7b00790","revised_compound_id":null}],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0010665"}],"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":"CCCCCC[C@@H]1CC(=O)N[C@@H](CO)C(=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=STXCXCAUQNUQQP-ZJUUUORDSA-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":["1,4-oxazepines","Alcohols and polyols","Alpha amino acid esters","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Hydrocarbon derivatives","Lactams","Lactones","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxazepines","Primary alcohols","Secondary 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 acid esters. 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