{"id":16807,"npaid":"NPA016807","original_name":"Gargalol B","mol_formula":"C28H42O4","mol_weight":"442.6400","exact_mass":"442.3083","inchikey":"LJBJXGTWGWODIW-UHFFFAOYSA-N","smiles":"CC(C)C(C)C=CC(C)C1CCC2=C3C(=O)CC45CC(CCC4(C3(CCC12C)OO5)C)O","cluster_id":5710,"node_id":163,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-24-23(30)16-27-15-20(29)11-12-26(27,6)28(24,32-31-27)14-13-25(21,22)5/h7-8,17-21,29H,9-16H2,1-6H3","m_plus_h":"443.3156","m_plus_na":"465.2975","origin_reference":{"doi":"10.1016/j.tet.2011.05.091","pmid":null,"authors":"Wu, Jing; Choi, Jae-Hoon; Yoshida, Miyuki; Hirai, Hirofumi; Harada, Etsuko; Masuda, Kikuko; Koyama, Tomoyuki; Yazawa, Kazunaga; Noguchi, Keiichi; Nagasawa, Kazuo; Kawagishi, Hirokazu","title":"Osteoclast-forming suppressing compounds, gargalols A, B, and C, from the edible mushroom Grifola gargal","journal":"Tetrahedron","year":2011,"volume":"67","issue":"35","pages":"6576-6581"},"origin_organism":{"id":3146,"type":"Fungus","genus":"Grifola","species":"gargal","taxon":{"id":1522,"name":"Grifola","rank":"genus","taxon_db":"mycobank","external_id":"17697","ncbi_id":5626,"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":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1518,"name":"Fomitopsidaceae","rank":"family","taxon_db":"mycobank","external_id":"81772","ncbi_id":1769247}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.tet.2011.05.091","structure_smiles":"CC(C)C(C)C=CC(C)C1CCC2=C3C(=O)CC45CC(CCC4(C3(CCC12C)OO5)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0227306"}],"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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