{"id":24597,"npaid":"NPA024597","original_name":"Igniarine","mol_formula":"C30H44O3","mol_weight":"452.6790","exact_mass":"452.3290","inchikey":"BRGPOTGGFUVACV-ILCZTSEPSA-N","smiles":"CC1=COC(=C1)C(=O)C(C)[C@@H]2CC[C@]3([C@]2(CCC4=C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H44O3/c1-18-16-23(33-17-18)26(32)19(2)20-10-14-30(7)22-8-9-24-27(3,4)25(31)12-13-28(24,5)21(22)11-15-29(20,30)6/h16-17,19-20,24-25,31H,8-15H2,1-7H3/t19?,20-,24?,25-,28+,29-,30+/m0/s1","m_plus_h":"453.3363","m_plus_na":"475.3182","origin_reference":{"doi":"10.1080/14786419.2017.1413572","pmid":29232973,"authors":"Thanh, Nguyen Tan; Tuan, Nguyen Ngoc; Kuo, Ping-Chung; Dung, Doan Manh; Phuong, Doan Lan; Giang, Dinh Thi Truong; Wu, Tian-Shung; Thang, Tran Dinh","title":"Chemical constituents from the fruiting bodies of Phellinus igniarius","journal":"Natural Product Research","year":2018,"volume":"32","issue":"20","pages":"2392-2397"},"origin_organism":{"id":817,"type":"Fungus","genus":"Phellinus","species":"igniarius","taxon":{"id":1637,"name":"Phellinus","rank":"genus","taxon_db":"mycobank","external_id":"18246","ncbi_id":40470,"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":"10.1080/14786419.2017.1413572","structure_smiles":"CC1=COC(=C1)C(=O)C(C)[C@@H]2CC[C@]3([C@]2(CCC4=C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0017354"}],"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)(C(=O)C1=CC(C)=CO1)[C@]1([H])CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)C1([H])CC3","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=BRGPOTGGFUVACV-ILCZTSEPSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001553","name":"Triterpenoids","chemont_id":"CHEMONTID:0001553","description":"Terpene molecules containing six isoprene units."},"ancestors":["3-beta-hydroxysteroids","3-hydroxysteroids","Alcohols and polyols","Aryl alkyl ketones","Aryl ketones","Bile acids, alcohols and derivatives","Carbonyl compounds","Chemical entities","Cyclic alcohols and derivatives","Furans","Heteroaromatic compounds","Hydrocarbon derivatives","Hydroxy bile acids, alcohols and derivatives","Hydroxysteroids","Ketones","Lipids and lipid-like molecules","Monohydroxy bile acids, alcohols and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxosteroids","Prenol lipids","Secondary alcohols","Steroids and steroid derivatives","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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