{"id":1725,"npaid":"NPA001725","original_name":"Inonotsutriol B","mol_formula":"C30H50O3","mol_weight":"458.7270","exact_mass":"458.3760","inchikey":"GYYKDEKKJBJCPY-WJBNMFORSA-N","smiles":"C[C@]12CCC3=C([C@@]1(CC[C@@H]2[C@H]4CC[C@H]([C@@H]4O)C(C)(C)O)C)CC[C@@H]5[C@@]3(CC[C@@H](C5(C)C)O)C","cluster_id":1099,"node_id":163,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H50O3/c1-26(2)23-11-10-21-20(28(23,5)15-14-24(26)31)13-17-29(6)19(12-16-30(21,29)7)18-8-9-22(25(18)32)27(3,4)33/h18-19,22-25,31-33H,8-17H2,1-7H3/t18-,19-,22-,23+,24+,25-,28-,29-,30+/m1/s1","m_plus_h":"459.3833","m_plus_na":"481.3652","origin_reference":{"doi":"10.1002/hlca.200890165","pmid":null,"authors":"Taji, Sayaka; Yamada, Takeshi; Tanaka, Reiko","title":"Three New Lanostane Triterpenoids, Inonotsutriols A, B, and C, from Inonotus obliquus","journal":"Helvetica Chimica Acta","year":2008,"volume":"91","issue":"8","pages":"1513-1524"},"origin_organism":{"id":127,"type":"Fungus","genus":"Inonotus","species":"obliquus","taxon":{"id":1636,"name":"Inonotus","rank":"genus","taxon_db":"mycobank","external_id":"17854","ncbi_id":40468,"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":1632,"name":"Hymenochaetales","rank":"order","taxon_db":"mycobank","external_id":"90548","ncbi_id":139380},{"id":1633,"name":"Hymenochaetaceae","rank":"family","taxon_db":"mycobank","external_id":"536196","ncbi_id":40424}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/hlca.200890165","structure_smiles":"C[C@]12CCC3=C([C@@]1(CC[C@@H]2[C@H]4CC[C@H]([C@@H]4O)C(C)(C)O)C)CC[C@@H]5[C@@]3(CC[C@@H](C5(C)C)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0281437"}],"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":"CC(C)(O)[C@@H]1CC[C@@H]([C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3","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=GYYKDEKKJBJCPY-WJBNMFORSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001553","name":"Triterpenoids","chemont_id":"CHEMONTID:0001553","description":"Terpene molecules containing six isoprene units."},"ancestors":["14-alpha-methylsteroids","3-beta-hydroxysteroids","3-hydroxysteroids","Alcohols and polyols","Chemical entities","Cyclic alcohols and derivatives","Cyclopentanols","Hydrocarbon derivatives","Hydroxysteroids","Lipids and lipid-like molecules","Organic compounds","Organic oxygen compounds","Organooxygen compounds","Prenol lipids","Secondary alcohols","Steroids and steroid derivatives","Tertiary alcohols","Triterpenoids"],"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 triterpenoids. 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