{"id":34914,"npaid":"NPA034914","original_name":"Trametin A","mol_formula":"C29H44O6","mol_weight":"488.6650","exact_mass":"488.3138","inchikey":"FDPDGOBSVOHERX-MQUJNLBQSA-N","smiles":"C/C(=C\\C[C@H](C(=O)O)C1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C29H44O6/c1-16(24(32)33)7-8-17(25(34)35)20-15-23(31)29(6)19-9-10-21-26(2,3)22(30)12-13-27(21,4)18(19)11-14-28(20,29)5/h7,17,20-23,30-31H,8-15H2,1-6H3,(H,32,33)(H,34,35)/b16-7+/t17-,20?,21-,22-,23-,27+,28+,29+/m0/s1","m_plus_h":"489.3211","m_plus_na":"511.3030","origin_reference":{"doi":"10.3390/molecules26237311","pmid":34885893,"authors":"Li, Yue-Chiun; Ngan, Nguyen Thi; Cheng, Kun-Ching; Hwang, Tsong-Long; Thang, Tran Dinh; Tuan, Nguyen Ngoc; Yang, Mei-Lin; Kuo, Ping-Chung; Wu, Tian-Shung","title":"Constituents from the Fruiting Bodies of Trametes cubensis and Trametes suaveolens in Vietnam and Their Anti-Inflammatory Bioactivity.","journal":"Molecules","year":2021,"volume":"26","issue":"23","pages":"7311"},"origin_organism":{"id":11148,"type":"Fungus","genus":"Trametes","species":"cubensis","taxon":{"id":1570,"name":"Trametes","rank":"genus","taxon_db":"mycobank","external_id":"18663","ncbi_id":5324,"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":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1548,"name":"Polyporaceae","rank":"family","taxon_db":"mycobank","external_id":"81203","ncbi_id":5317}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/molecules26237311","structure_smiles":"C/C(=C\\C[C@H](C(=O)O)C1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"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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