{"id":22371,"npaid":"NPA022371","original_name":"Stachybotrysin C","mol_formula":"C25H34O7","mol_weight":"446.5400","exact_mass":"446.2305","inchikey":"ZTVXBYHCHQJAQR-JHAFVJHKSA-N","smiles":"C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C(C(=C4O3)C=O)CO)O)(C[C@H]([C@H](C2(C)C)OC(=O)C)O)C","cluster_id":18,"node_id":18,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H34O7/c1-13-6-7-20-23(3,4)22(31-14(2)28)19(30)10-24(20,5)25(13)9-16-18(29)8-15(11-26)17(12-27)21(16)32-25/h8,12-13,19-20,22,26,29-30H,6-7,9-11H2,1-5H3/t13-,19-,20+,22-,24+,25-/m1/s1","m_plus_h":"447.2378","m_plus_na":"469.2197","origin_reference":{"doi":"10.1021/acs.jnatprod.7b00014","pmid":28530828,"authors":"Zhao, Jinlian; Feng, Jiamin; Tan, Zhen; Liu, Jimei; Zhao, Jianyuan; Chen, Ridao; Xie, Kebo; Zhang, Dewu; Li, Yan; Yu, Liyan; Chen, Xiaoguang; Dai, Jungui","title":"Stachybotrysins A-G, Phenylspirodrimane Derivatives from the Fungus Stachybotrys chartarum","journal":"Journal of Natural Products","year":2017,"volume":"80","issue":"6","pages":"1819-1826"},"origin_organism":{"id":7274,"type":"Fungus","genus":"Stachybotrys","species":"chartarum CGMCC 3.5365","taxon":{"id":980,"name":"Stachybotrys","rank":"genus","taxon_db":"mycobank","external_id":"10052","ncbi_id":74721,"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":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125},{"id":978,"name":"Stachybotryaceae","rank":"family","taxon_db":"mycobank","external_id":"90922","ncbi_id":1667166}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.jnatprod.7b00014","structure_smiles":"C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C(C(=C4O3)C=O)CO)O)(C[C@H]([C@H](C2(C)C)OC(=O)C)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00000855404%NCGC00380762-01_C25H34O7_7-Formyl-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a%1!CCMSLIB00000855406%NCGC00380762-01_C25H34O7_7-Formyl-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a%1!CCMSLIB00000850397%NCGC00380762-01_C25H34O7_7-Formyl-4,7'-dihydroxy-6-(hydroxymethyl)-2',5',5',8a'-tetramethyl-3',4',4a%1"},{"external_db_name":"npmrd","external_db_code":"NP0016625"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000301","name":"Benzofurans","chemont_id":"CHEMONTID:0000301","description":"Organic compounds containing a benzene ring fused to a furan. 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