{"id":33389,"npaid":"NPA033389","original_name":"Calipyridone C","mol_formula":"C17H16N2O4","mol_weight":"312.3250","exact_mass":"312.1110","inchikey":"HWPPENPDZWUQTE-HNNXBMFYSA-N","smiles":"CC1=CC(O)=CC(=O)N1[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O","cluster_id":9607,"node_id":6426,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C17H16N2O4/c1-10-6-12(20)8-16(21)19(10)15(17(22)23)7-11-9-18-14-5-3-2-4-13(11)14/h2-6,8-9,15,18,20H,7H2,1H3,(H,22,23)/t15-/m0/s1","m_plus_h":"313.1183","m_plus_na":"335.1002","origin_reference":{"doi":"10.1021/acs.orglett.1c03792","pmid":35045257,"authors":"Guo, Yaojie; Contesini, Fabiano J; Wang, Xinhui; Ghidinelli, Simone; Tornby, Ditte S; Andersen, Thomas E; Mortensen, Uffe H; Larsen, Thomas O","title":"Biosynthesis of Calipyridone A Represents a Fungal 2-Pyridone Formation without Ring Expansion in Aspergillus californicus.","journal":"Organic Letters","year":2022,"volume":"24","issue":"3","pages":"804-808"},"origin_organism":{"id":10789,"type":"Fungus","genus":"Aspergillus","species":"californicus CBS 123895","taxon":{"id":1237,"name":"Aspergillus","rank":"genus","taxon_db":"mycobank","external_id":"7248","ncbi_id":5052,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.orglett.1c03792","structure_smiles":"CC1=CC(O)=CC(=O)N1[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"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":"CC1=CC(O)=CC(=O)N1[C@@H](CC1=CNC2=CC=CC=C12)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=HWPPENPDZWUQTE-HNNXBMFYSA-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-halopyridines","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Benzenoids","Branched fatty acids","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylamines","Dihydropyridines","Fatty Acyls","Fatty acids and conjugates","Fatty amides","Halopyridines","Heteroaromatic compounds","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydropyridines","Hydroxy fatty acids","Hydroxypyridines","Indoles","Indoles and derivatives","Lactams","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","N-acyl amines","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino 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","Polyhalopyridines","Pyridines and derivatives","Pyrroles","Pyrrolines","Secondary amines","Tertiary carboxylic acid amides","Vinylogous acids"],"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 n-acyl-l-alpha-amino acids. 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