{"id":2902,"npaid":"NPA002902","original_name":"Inonotsulide B","mol_formula":"C30H46O4","mol_weight":"470.6940","exact_mass":"470.3396","inchikey":"XQNCFMBNMADTHB-AJIBSGPHSA-N","smiles":"C[C@]12CC[C@@H](C(C1CC=C3C2=CC[C@]4([C@]3(CC[C@@H]4[C@H]5CC[C@@H](OC5=O)C(C)(C)O)C)C)(C)C)O","cluster_id":1070,"node_id":163,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H46O4/c1-26(2)22-10-9-21-20(28(22,5)15-14-23(26)31)13-17-29(6)19(12-16-30(21,29)7)18-8-11-24(27(3,4)33)34-25(18)32/h9,13,18-19,22-24,31,33H,8,10-12,14-17H2,1-7H3/t18-,19-,22?,23+,24-,28-,29-,30+/m1/s1","m_plus_h":"471.3469","m_plus_na":"493.3288","origin_reference":{"doi":"10.1002/hlca.200790214","pmid":null,"authors":"Taji, Sayaka; Yamada, Takeshi; In, Yasuko; Wada, Shun-ichi; Usami, Yoshihide; Sakuma, Kazuo; Tanaka, Reiko","title":"Three New Lanostane Triterpenoids from Inonotus obliquus","journal":"Helvetica Chimica Acta","year":2007,"volume":"90","issue":"11","pages":"2047-2057"},"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.200790214","structure_smiles":"C[C@]12CC[C@@H](C(C1CC=C3C2=CC[C@]4([C@]3(CC[C@@H]4[C@H]5CC[C@@H](OC5=O)C(C)(C)O)C)C)(C)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0272522"}],"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@@]1(CC[C@@]2(C)C3=CCC4([H])C(C)(C)[C@@]([H])(O)CC[C@]4(C)C3=CC[C@]12C)[C@@]1([H])CC[C@@]([H])(OC1=O)C(C)(C)O","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=XQNCFMBNMADTHB-AJIBSGPHSA-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-hydroxy delta-7-steroids","3-hydroxysteroids","Alcohols and polyols","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Delta valerolactones","Delta-7-steroids","Hydrocarbon derivatives","Hydroxysteroids","Lactones","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","Prenol lipids","Secondary alcohols","Steroid lactones","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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