{"id":16403,"npaid":"NPA016403","original_name":"Leucopaxillone B","mol_formula":"C34H52O8","mol_weight":"588.7820","exact_mass":"588.3662","inchikey":"DSTOROHYHNDBMG-ZWRBYNDMSA-N","smiles":"C[C@@H](C1CC[C@@]2([C@]13C[C@@]([C@@]4([C@H]2CC=C5[C@H]4CCC(=O)C5(C)C)C)(OC3)O)C)[C@@H](C[C@H](C(C)(C)O)OC(=O)C)OC(=O)C","cluster_id":1942,"node_id":1561,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C34H52O8/c1-19(25(41-20(2)35)16-28(30(6,7)38)42-21(3)36)22-14-15-31(8)26-12-10-23-24(11-13-27(37)29(23,4)5)32(26,9)34(39)17-33(22,31)18-40-34/h10,19,22,24-26,28,38-39H,11-18H2,1-9H3/t19-,22?,24+,25+,26-,28+,31-,32-,33-,34-/m0/s1","m_plus_h":"589.3735","m_plus_na":"611.3554","origin_reference":{"doi":"10.1021/np049883o","pmid":15568769,"authors":"Clericuzio, Marco; Mella, Mariella; Vita-Finzi, Paola; Zema, Michele; Vidari, Giovanni","title":"Cucurbitane triterpenoids from Leucopaxillus gentianeus","journal":"Journal of Natural Products","year":2004,"volume":"67","issue":"11","pages":"1823-1828"},"origin_organism":{"id":1839,"type":"Fungus","genus":"Leucopaxillus","species":"gentianeus","taxon":{"id":1434,"name":"Leucopaxillus","rank":"genus","taxon_db":"mycobank","external_id":"17969","ncbi_id":71892,"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":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1426,"name":"Tricholomataceae","rank":"family","taxon_db":"mycobank","external_id":"80877","ncbi_id":5351}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np049883o","structure_smiles":"C[C@@H](C1CC[C@@]2([C@]13C[C@@]([C@@]4([C@H]2CC=C5[C@H]4CCC(=O)C5(C)C)C)(OC3)O)C)[C@@H](C[C@H](C(C)(C)O)OC(=O)C)OC(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005589"}],"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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