{"id":24253,"npaid":"NPA024253","original_name":"Eringiacetal B","mol_formula":"C28H42O4","mol_weight":"442.6400","exact_mass":"442.3083","inchikey":"MMDBFASABGRZQE-ZSYDHOKOSA-N","smiles":"C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@]2(C3=C(CC[C@]1(O2)C)[C@]4(CC[C@@H](CC4=CC3=O)O)C)O","cluster_id":3276,"node_id":163,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)22-11-14-28(31)25-23(10-13-27(22,6)32-28)26(5)12-9-21(29)15-20(26)16-24(25)30/h7-8,16-19,21-22,29,31H,9-15H2,1-6H3/b8-7+/t18-,19+,21-,22+,26-,27+,28+/m0/s1","m_plus_h":"443.3156","m_plus_na":"465.2975","origin_reference":{"doi":"10.1021/acs.joc.7b01259","pmid":28856887,"authors":"Kikuchi, Takashi; Horii, Yui; Maekawa, Yukina; Masumoto, Yuki; In, Yasuko; Tomoo, Koji; Sato, Hiroyasu; Yamano, Akihito; Yamada, Takeshi; Tanaka, Reiko","title":"Pleurocins A and B: Unusual 11(9 → 7)-abeo-ergostanes and eringiacetal b: A 13,14-seco-13,14-epoxyergostane from fruiting bodies of Pleurotus eryngii and Their inhibitory effects on nitric oxide production","journal":"Journal of Organic Chemistry","year":2017,"volume":"82","issue":"19","pages":"10611-10616"},"origin_organism":{"id":189,"type":"Fungus","genus":"Pleurotus","species":"eryngii","taxon":{"id":1467,"name":"Pleurotus","rank":"genus","taxon_db":"mycobank","external_id":"18308","ncbi_id":5320,"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":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1465,"name":"Pleurotaceae","rank":"family","taxon_db":"mycobank","external_id":"81191","ncbi_id":104366}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.joc.7b01259","structure_smiles":"C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@]2(C3=C(CC[C@]1(O2)C)[C@]4(CC[C@@H](CC4=CC3=O)O)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0016940"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002012","name":"Oxanes","chemont_id":"CHEMONTID:0002012","description":"Compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms."},"smiles":"[H]\\C(=C(\\[H])[C@@]([H])(C)[C@@]1([H])CC[C@@]2(O)O[C@]1(C)CCC1=C2C(=O)C=C2C[C@@]([H])(O)CC[C@]12C)[C@]([H])(C)C(C)C","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=MMDBFASABGRZQE-ZSYDHOKOSA-N","subclass":null,"ancestors":["Alcohols and polyols","Carbonyl compounds","Chemical entities","Cyclic alcohols and derivatives","Ethers","Hemiacetals","Hydrocarbon derivatives","Ketones","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","Secondary alcohols"],"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 oxanes. 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