{"id":24232,"npaid":"NPA024232","original_name":"3,14,25-Trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one","mol_formula":"C28H44O5","mol_weight":"460.6550","exact_mass":"460.3189","inchikey":"KZXSEYDTLJXXRM-DQXYIBCXSA-N","smiles":"C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O","cluster_id":2269,"node_id":1797,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H44O5/c1-17(6-7-18(16-29)25(2,3)32)20-10-13-28(33)22-15-24(31)23-14-19(30)8-11-26(23,4)21(22)9-12-27(20,28)5/h6-7,15,17-21,23,29-30,32-33H,8-14,16H2,1-5H3/b7-6+/t17-,18-,19+,20-,21+,23-,26-,27-,28-/m1/s1","m_plus_h":"461.3262","m_plus_na":"483.3081","origin_reference":{"doi":"10.1021/acs.joc.6b01971","pmid":27684789,"authors":"Tao, Qiaoqiao; Ma, Ke; Yang, Yanlong; Wang, Kai; Chen, Baosong; Huang, Ying; Han, Junjie; Bao, Li; Liu, Xiao-Bin; Yang, Zhuliang; Yin, Wen-Bing; Liu, Hongwei","title":"Bioactive Sesquiterpenes from the Edible Mushroom Flammulina velutipes and Their Biosynthetic Pathway Confirmed by Genome Analysis and Chemical Evidence","journal":"Journal of Organic Chemistry","year":2016,"volume":"81","issue":"20","pages":"9867-9877"},"origin_organism":{"id":156,"type":"Fungus","genus":"Flammulina","species":"velutipes","taxon":{"id":1402,"name":"Flammulina","rank":"genus","taxon_db":"mycobank","external_id":"17601","ncbi_id":38944,"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":1367,"name":"Agaricales","rank":"order","taxon_db":"mycobank","external_id":"90508","ncbi_id":5338},{"id":1400,"name":"Physalacriaceae","rank":"family","taxon_db":"mycobank","external_id":"81165","ncbi_id":862241}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.joc.6b01971","structure_smiles":"C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0015761"}],"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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