{"id":10245,"npaid":"NPA010245","original_name":"Strophasterol B","mol_formula":"C28H44O4","mol_weight":"444.6560","exact_mass":"444.3240","inchikey":"ULYVEOOCGBYFBH-DLJLLTRWSA-N","smiles":"CC1[C@@H](CCC1CC(C)C(C)C)[C@]2(CCC3=C(C2=O)[C@H]([C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)O)C","cluster_id":3476,"node_id":163,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H44O4/c1-15(2)16(3)13-18-7-8-20(17(18)4)26(5)11-10-21-22(24(26)31)23(30)25-28(32-25)14-19(29)9-12-27(21,28)6/h15-20,23,25,29-30H,7-14H2,1-6H3/t16?,17?,18?,19-,20+,23+,25-,26+,27+,28-/m0/s1","m_plus_h":"445.3313","m_plus_na":"467.3132","origin_reference":{"doi":"10.1002/ange.201205351","pmid":23012134,"authors":"Wu, Jing; Tokuyama, Shinji; Nagai, Kaoru; Yasuda, Nobuhiro; Noguchi, Keiichi; Matsumoto, Tetsuo; Hirai, Hirofumi; Kawagishi, Hirokazu","title":"Strophasterols A to D with an Unprecedented Steroid Skeleton: From the Mushroom Stropharia rugosoannulata","journal":"Angewandte Chemie","year":2012,"volume":"124","issue":"43","pages":"10978-10980"},"origin_organism":{"id":3543,"type":"Fungus","genus":"Stropharia","species":"rugosoannulata","taxon":{"id":1389,"name":"Stropharia","rank":"genus","taxon_db":"mycobank","external_id":"18613","ncbi_id":68745,"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":1380,"name":"Strophariaceae","rank":"family","taxon_db":"mycobank","external_id":"81444","ncbi_id":40562}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/ange.201205351","structure_smiles":"CC1[C@@H](CCC1CC(C)C(C)C)[C@]2(CCC3=C(C2=O)[C@H]([C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0011116"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000259","name":"Prenol lipids","chemont_id":"CHEMONTID:0000259","description":"Lipids synthesized from the five-carbon-unit precursors isopentenyl diphosphate and dimethylallyl diphosphate."},"smiles":"[H]C(C)(CC1([H])CC[C@]([H])(C1([H])C)[C@@]1(C)CCC2=C(C1=O)[C@@]([H])(O)[C@]1([H])O[C@@]11C[C@@]([H])(O)CC[C@]21C)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=ULYVEOOCGBYFBH-DLJLLTRWSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001549","name":"Monoterpenoids","chemont_id":"CHEMONTID:0001549","description":"Compounds containing a chain of two isoprene units."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Chemical entities","Cyclic alcohols and derivatives","Cyclic ketones","Cyclohexenones","Dialkyl ethers","Epoxides","Ethers","Hydrocarbon derivatives","Iridoids and derivatives","Ketones","Lipids and lipid-like molecules","Monoterpenoids","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Prenol lipids","Secondary alcohols"],"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 iridoids and derivatives. 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