{"id":32821,"npaid":"NPA032821","original_name":"Acu-dioxomorpholine","mol_formula":"C26H28N2O3","mol_weight":"416.5210","exact_mass":"416.2100","inchikey":"HZOLEYOVBYTDAS-LUHVKKMXSA-N","smiles":"C=CC(C)(C)[C@]12C[C@@H]3C(=O)O[C@H](CC4=CC=CC=C4)C(=O)N3[C@H]1N(C)C1=CC=CC=C12","cluster_id":9483,"node_id":6347,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C26H28N2O3/c1-5-25(2,3)26-16-20-23(30)31-21(15-17-11-7-6-8-12-17)22(29)28(20)24(26)27(4)19-14-10-9-13-18(19)26/h5-14,20-21,24H,1,15-16H2,2-4H3/t20-,21-,24-,26+/m1/s1","m_plus_h":"417.2173","m_plus_na":"439.1992","origin_reference":{"doi":"10.3390/molecules190810898","pmid":25068785,"authors":"Petersen, Lene M.; Hoeck, Casper; Frisvad, Jens C.; Gotfredsen, Charlotte H.; Larsen, Thomas O.","title":"Dereplication guided discovery of secondary metabolites of mixed biosynthetic origin from Aspergillus aculeatus","journal":"Molecules","year":2014,"volume":"19","issue":"8","pages":"10898-10921"},"origin_organism":{"id":1129,"type":"Fungus","genus":"Aspergillus","species":"aculeatus","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":"10.3390/molecules190810898","structure_smiles":"C=CC(C)(C)[C@]12C[C@@H]3C(=O)O[C@H](CC4=CC=CC=C4)C(=O)N3[C@H]1N(C)C1=CC=CC=C12","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002226"}],"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]2N3[C@H](C[C@@]2(C2=CC=CC=C12)C(C)(C)C=C)C(=O)O[C@H](CC1=CC=CC=C1)C3=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=HZOLEYOVBYTDAS-LUHVKKMXSA-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":["Alpha amino acid esters","Alpha amino acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dialkylarylamines","Fatty Acyls","Fatty acid esters","Fatty amides","Hydrocarbon derivatives","Indoles","Indoles and derivatives","Lactams","Lactones","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Morpholines","N-acyl amines","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","N-acylpyrrolidines","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","Oxazinanes","Pyrroles","Pyrrolidine carboxylic acids","Pyrrolidine carboxylic acids and derivatives","Pyrrolidines","Pyrroloindoles","Tertiary alkylarylamines","Tertiary amines","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 n-acyl-alpha amino acids. 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