{"id":26468,"npaid":"NPA026468","original_name":"Penicisteroid F","mol_formula":"C30H50O7","mol_weight":"522.7230","exact_mass":"522.3557","inchikey":"HFUCIIVEICGGNB-SUDBBCPOSA-N","smiles":"CC(=O)O[C@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C[C@]1(O)[C@H](O)[C@@H]3O","cluster_id":2318,"node_id":163,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H50O7/c1-15(2)16(3)8-9-17(4)24-22(37-18(5)31)12-20-23-25(21(33)14-28(20,24)6)29(7)11-10-19(32)13-30(29,36)27(35)26(23)34/h8-9,15-17,19-27,32-36H,10-14H2,1-7H3/b9-8+/t16-,17+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29+,30-/m0/s1","m_plus_h":"523.3630","m_plus_na":"545.3449","origin_reference":{"doi":"10.3390/md17030178","pmid":30893778,"authors":"Xie, Chun-Lan; Zhang, Duo; Hu, Chao-Chao; Lin, Ting; Wang, Guang-Hui; Tian, Wen-Jing; Zhang, Xiao-Kun; Chen, Hai-Feng; Xia, Jin-Mei; Lin, Yu-Kun; Li, Zeng-Peng; Yang, Xian-Wen","title":"Steroids from the Deep-Sea-Derived Fungus Penicillium granulatum MCCC 3A00475 Induced Apoptosis via Retinoid X Receptor (RXR)-α Pathway","journal":"Marine Drugs","year":2019,"volume":"17","issue":"3","pages":null},"origin_organism":{"id":6846,"type":"Fungus","genus":"Penicillium","species":"granulatum MCCC 3A00475","taxon":{"id":1239,"name":"Penicillium","rank":"genus","taxon_db":"mycobank","external_id":"9257","ncbi_id":5073,"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":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/md17030178","structure_smiles":"CC(=O)O[C@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C[C@]1(O)[C@H](O)[C@@H]3O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0019399"}],"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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