{"id":6375,"npaid":"NPA006375","original_name":"Gloeophyllin F","mol_formula":"C30H48O3","mol_weight":"456.7110","exact_mass":"456.3603","inchikey":"XKDQIZLYDBYWGU-KEKRBBGGSA-N","smiles":"C=C(CC[C@H](C(=O)O)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H48O3/c1-18(2)19(3)8-9-21(27(32)33)23-12-11-22-20-10-13-25-28(4,5)26(31)15-17-30(25,7)24(20)14-16-29(22,23)6/h18,21-23,25-26,31H,3,8-17H2,1-2,4-7H3,(H,32,33)/t21-,22-,23+,25-,26-,29-,30+/m0/s1","m_plus_h":"457.3676","m_plus_na":"479.3495","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(=O)O)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0014126"}],"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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