{"id":32902,"npaid":"NPA032902","original_name":"Varicidin A","mol_formula":"C21H29NO5","mol_weight":"375.4650","exact_mass":"375.2046","inchikey":"SKXOEWAUSCYCSA-YDVRFCCISA-N","smiles":"CC[C@H](C)[C@H]1C(=O)C(=C(O)[C@@H]2[C@H]3CCCC[C@H]3C=C[C@H]2C(=O)O)C(=O)N1C","cluster_id":5490,"node_id":3902,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C21H29NO5/c1-4-11(2)17-19(24)16(20(25)22(17)3)18(23)15-13-8-6-5-7-12(13)9-10-14(15)21(26)27/h9-15,17,23H,4-8H2,1-3H3,(H,26,27)/t11-,12-,13-,14+,15+,17-/m0/s1","m_plus_h":"376.2119","m_plus_na":"398.1938","origin_reference":{"doi":"10.1021/jacs.8b12010","pmid":30609896,"authors":"Tan, Dan; Jamieson, Cooper S.; Ohashi, Masao; Tang, Man-Cheng; Houk; Tang, Yi","title":"Genome-Mined Diels-Alderase Catalyzes Formation of the cis-Octahydrodecalins of Varicidin A and B","journal":"Journal of the American Chemical Society","year":2019,"volume":"141","issue":"2","pages":"769-773"},"origin_organism":{"id":8922,"type":"Fungus","genus":"Penicillium","species":"variabile","taxon":{"id":1239,"name":"Penicillium","rank":"genus","taxon_db":"mycobank","external_id":"9257","ncbi_id":5073,"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/jacs.8b12010","structure_smiles":"CC[C@H](C)[C@H]1C(=O)C(=C(O)[C@@H]2[C@H]3CCCC[C@H]3C=C[C@H]2C(=O)O)C(=O)N1C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002304"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003909","name":"Fatty Acyls","chemont_id":"CHEMONTID:0003909","description":"Organic molecules synthesized by chain elongation of an acetyl-CoA primer with malonyl-CoA (or methylmalonyl-CoA) groups that might contain a cyclic functionality and/or are substituted with heteroatoms."},"smiles":"CC[C@H](C)[C@@H]1N(C)C(=O)C(=C(O)[C@@H]2[C@H]3CCCC[C@H]3C=C[C@H]2C(O)=O)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=SKXOEWAUSCYCSA-YDVRFCCISA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000262","name":"Fatty acids and conjugates","chemont_id":"CHEMONTID:0000262","description":"Aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms)."},"ancestors":["Acryloyl compounds","Alpha,beta-unsaturated carbonyl compounds","Alpha,beta-unsaturated ketones","Alpha-branched alpha,beta-unsaturated ketones","Azacyclic compounds","Branched fatty acids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Enones","Fatty Acyls","Fatty acids and conjugates","Fatty amides","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydroxy fatty acids","Ketones","Lactams","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","N-acyl amines","N-alkylpyrrolidines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Pyrrolidine-2-ones","Pyrrolidine-3-ones","Pyrrolidines","Pyrrolidones","Tertiary carboxylic acid amides","Vinylogous acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as heterocyclic fatty acids. 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