{"id":15096,"npaid":"NPA015096","original_name":"3α,5α,8β-trihydroxycleistanth-13(17),15-dien-18-oic acid","mol_formula":"C20H30O5","mol_weight":"350.4550","exact_mass":"350.2093","inchikey":"MECXSJIILFRSID-XSINAMBDSA-N","smiles":"C[C@]12CC[C@H]([C@@]([C@@]1(CC[C@@]3([C@@H]2CCC(=C)[C@H]3C=C)O)O)(C)C(=O)O)O","cluster_id":5303,"node_id":3781,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C20H30O5/c1-5-13-12(2)6-7-14-17(3)9-8-15(21)18(4,16(22)23)20(17,25)11-10-19(13,14)24/h5,13-15,21,24-25H,1-2,6-11H2,3-4H3,(H,22,23)/t13-,14-,15-,17-,18+,19-,20+/m1/s1","m_plus_h":"351.2166","m_plus_na":"373.1985","origin_reference":{"doi":"10.1248/cpb.57.975","pmid":19721259,"authors":"Zhou, Zhong-Yu; Liu, Rong; Jiang, Meng-Yuan; Zhang, Ling; Niu, Yun; Zhu, Ying-Cheng; Dong, Ze-Jun; Liu, Ji-Kai","title":"Two new cleistanthane diterpenes and a new isocoumarine from cultures of the basidiomycete Albatrellus confluens","journal":"Chemical and Pharmaceutical Bulletin","year":2009,"volume":"57","issue":"9","pages":"975-978"},"origin_organism":{"id":1160,"type":"Fungus","genus":"Albatrellus","species":"confluens","taxon":{"id":1490,"name":"Albatrellus","rank":"genus","taxon_db":"mycobank","external_id":"17035","ncbi_id":68750,"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":1488,"name":"Russulales","rank":"order","taxon_db":"mycobank","external_id":"90569","ncbi_id":452342},{"id":1489,"name":"Albatrellaceae","rank":"family","taxon_db":"mycobank","external_id":"80437","ncbi_id":68749}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1248/cpb.57.975","structure_smiles":"C[C@]12CC[C@H]([C@@]([C@@]1(CC[C@@]3([C@@H]2CCC(=C)[C@H]3C=C)O)O)(C)C(=O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0008706"}],"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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