{"id":3166,"npaid":"NPA003166","original_name":"Gloeophyllin E","mol_formula":"C32H48O6","mol_weight":"528.7300","exact_mass":"528.3451","inchikey":"JWNXGTYVLOAQEH-CRANYONASA-N","smiles":"C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)O)C3=C[C@@H](OC(C)=O)[C@@]21C)C(C)C","cluster_id":410,"node_id":369,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C32H48O6/c1-17(2)18(3)9-10-19(4)21-11-12-22-28-23(15-27(31(21,22)7)38-20(5)33)30(6)14-13-26(35)32(8,29(36)37)25(30)16-24(28)34/h15,17,19,21-22,25-28,35H,3,9-14,16H2,1-2,4-8H3,(H,36,37)/t19-,21-,22+,25-,26+,27-,28+,30-,31-,32+/m1/s1","m_plus_h":"529.3524","m_plus_na":"551.3343","origin_reference":{"doi":"10.1021/acs.orglett.5b01080","pmid":25915800,"authors":"Han, Jun-Jie; Bao, Li; Tao, Qiao-Qiao; Yao, Yi-Jian; Liu, Xing-Zhong; Yin, Wen-Bing; Liu, Hong-Wei","title":"Gloeophyllins A-J, Cytotoxic Ergosteroids with Various Skeletons from a Chinese Tibet Fungus Gloeophyllum abietinum.","journal":"Organic Letters","year":2015,"volume":"17","issue":"10","pages":"2538-2541"},"origin_organism":{"id":455,"type":"Fungus","genus":"Gloeophyllum","species":"abietinum","taxon":{"id":1615,"name":"Gloeophyllum","rank":"genus","taxon_db":"mycobank","external_id":"17669","ncbi_id":40443,"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":1612,"name":"Gloeophyllales","rank":"order","taxon_db":"mycobank","external_id":"501300","ncbi_id":452339},{"id":1613,"name":"Gloeophyllaceae","rank":"family","taxon_db":"mycobank","external_id":"81777","ncbi_id":452340}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.orglett.5b01080","structure_smiles":"C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)O)C3=C[C@@H](OC(C)=O)[C@@]21C)C(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0014125"}],"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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