{"id":8939,"npaid":"NPA008939","original_name":"Aspergillin PZ","mol_formula":"C24H35NO4","mol_weight":"401.5470","exact_mass":"401.2566","inchikey":"AQZDMONQDXTWHN-SOUNXMBKSA-N","smiles":"C[C@@H]1[C@@H]2[C@H](NC(=O)[C@]23[C@@H](C=C1C)[C@H]4[C@@H](CC3=O)[C@@H]5[C@H](CC[C@]4(O5)C)O)CC(C)C","cluster_id":3761,"node_id":2823,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C24H35NO4/c1-11(2)8-16-19-13(4)12(3)9-15-20-14(10-18(27)24(15,19)22(28)25-16)21-17(26)6-7-23(20,5)29-21/h9,11,13-17,19-21,26H,6-8,10H2,1-5H3,(H,25,28)/t13-,14+,15-,16+,17-,19+,20+,21+,23+,24-/m0/s1","m_plus_h":"402.2639","m_plus_na":"424.2458","origin_reference":{"doi":"10.7164/antibiotics.55.693","pmid":12374381,"authors":"Zhang, Yi; Wang, Tao; Pei, Yuehu; Hua, Huiming; Feng, Baomin","title":"Aspergillin PZ, a novel isoindole-alkaloid from Aspergillus awamori","journal":"Journal of Antibiotics","year":2002,"volume":"55","issue":"8","pages":"693-695"},"origin_organism":{"id":3754,"type":"Fungus","genus":"Aspergillus","species":"awamori","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":["10.1016/j.tet.2011.09.079","10.1002/anie.201809703"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.55.693","structure_smiles":"C[C@@H]1[C@@H]2[C@H](NC(=O)[C@]23[C@@H](C=C1C)[C@H]4[C@@H](CC3=O)[C@@H]5[C@H](CC[C@]4(O5)C)O)CC(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002204"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00008851457%Aspergillin PZ%3"},{"external_db_name":"npmrd","external_db_code":"NP0004358"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001819","name":"Isoindoles and derivatives","chemont_id":"CHEMONTID:0001819","description":"Polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring."},"smiles":"[H][C@]1(CC(C)C)N=C(O)[C@]23C(=O)C[C@@]4([H])[C@@]5([H])O[C@](C)(CC[C@]5([H])O)[C@@]4([H])[C@]2([H])C=C(C)[C@]([H])(C)[C@]13[H]","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=AQZDMONQDXTWHN-SOUNXMBKSA-N","subclass":null,"ancestors":["Alcohols and polyols","Azacyclic compounds","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclic carboximidic acids","Dialkyl ethers","Ethers","Hydrocarbon derivatives","Isoindoles and derivatives","Ketones","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Propargyl-type 1,3-dipolar organic compounds","Pyrrolines","Secondary alcohols","Tetrahydrofurans"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as isoindoles and derivatives. 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