{"id":1045,"npaid":"NPA001045","original_name":"Igniaren C","mol_formula":"C30H50O2","mol_weight":"442.7280","exact_mass":"442.3811","inchikey":"SJGDDDWMCGNKNE-DNAHYVPOSA-N","smiles":"C[C@@H]1[C@@H](CC[C@]2(C1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@H](C)[C@@H](CC(=C)C(C)C)O)C)C)C)O","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H50O2/c1-18(2)19(3)17-27(32)21(5)23-11-15-30(8)25-10-9-22-20(4)26(31)13-14-28(22,6)24(25)12-16-29(23,30)7/h18,20-23,26-27,31-32H,3,9-17H2,1-2,4-8H3/t20-,21-,22?,23+,26+,27+,28-,29+,30-/m0/s1","m_plus_h":"443.3884","m_plus_na":"465.3703","origin_reference":{"doi":"10.1055/s-0029-1185813","pmid":19557671,"authors":"Wang, Guei-Jane; Tsai, Tung-Hu; Chang, Tun-Tschu; Chou, Cheng-Jen; Lin, Lie-Chwen","title":"Lanostanes fromPhellinus igniariusand Their iNOS Inhibitory Activities","journal":"Planta Medica","year":2009,"volume":"75","issue":"15","pages":"1602-1607"},"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":"10.1055/s-0029-1185813","structure_smiles":"C[C@@H]1[C@@H](CC[C@]2(C1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@H](C)[C@@H](CC(=C)C(C)C)O)C)C)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0008551"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000258","name":"Steroids and steroid derivatives","chemont_id":"CHEMONTID:0000258","description":"Compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. 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