{"id":4934,"npaid":"NPA004934","original_name":"Berkeleyamide A","mol_formula":"C18H25NO3","mol_weight":"303.4020","exact_mass":"303.1834","inchikey":"KACACYYTPVUKSL-BHYGNILZSA-N","smiles":"CC(C)C[C@H]1C[C@@H]([C@H](O)CC(=O)CC2=CC=CC=C2)C(=O)N1","cluster_id":2489,"node_id":1953,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H25NO3/c1-12(2)8-14-10-16(18(22)19-14)17(21)11-15(20)9-13-6-4-3-5-7-13/h3-7,12,14,16-17,21H,8-11H2,1-2H3,(H,19,22)/t14-,16-,17+/m0/s1","m_plus_h":"304.1907","m_plus_na":"326.1726","origin_reference":{"doi":"10.1021/np0705054","pmid":18330993,"authors":"Stierle, Andrea A.; Stierle, Donald B.; Patacini, Brianna","title":"The berkeleyamides, amides from the acid lake fungus Penicillum rubrum","journal":"Journal of Natural Products","year":2008,"volume":"71","issue":"5","pages":"856-860"},"origin_organism":{"id":749,"type":"Fungus","genus":"Penicillium","species":"rubrum","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":["10.1021/jo1001033","10.1021/ol902525k"],"reassignments":[{"reference_doi":"10.1021/ol902525k","structure_smiles":"CC(C)C[C@H]1C[C@@H]([C@H](O)CC(=O)CC2=CC=CC=C2)C(=O)N1"}],"mol_structures":[{"current_structure":false,"reference_doi":"10.1021/np0705054","structure_smiles":"CC(C)C[C@H]1C[C@@H](C(=O)N1)[C@H](CC(=O)CC2=CC=CC=C2)O","is_reassignment":false,"version":1},{"current_structure":true,"reference_doi":"10.1021/ol902525k","structure_smiles":"CC(C)C[C@H]1C[C@@H]([C@H](O)CC(=O)CC2=CC=CC=C2)C(=O)N1","is_reassignment":true,"version":2}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0007646"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002279","name":"Benzene and substituted derivatives","chemont_id":"CHEMONTID:0002279","description":"Aromatic compounds containing one monocyclic ring system consisting of benzene."},"smiles":"CC(C)C[C@H]1C[C@H]([C@@H](O)CC(=O)CC2=CC=CC=C2)C(=O)N1","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=KACACYYTPVUKSL-UAGQMJEPSA-N","subclass":null,"ancestors":["Alcohols and polyols","Azacyclic compounds","Benzene and substituted derivatives","Benzenoids","Beta-hydroxy ketones","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Hydrocarbon derivatives","Ketones","Lactams","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","Pyrrolidines","Pyrrolidones","Secondary alcohols","Secondary carboxylic acid amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as benzene and substituted derivatives. 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