{"id":538,"npaid":"NPA000538","original_name":"Gloeophyllin I","mol_formula":"C32H48O8","mol_weight":"560.7280","exact_mass":"560.3349","inchikey":"SOOOIIZYTSNVFY-WKUOWAQYSA-N","smiles":"C=C(CC[C@@H](C)[C@H]1CC[C@@]2(O)O[C@]1(C)[C@H](OC(C)=O)CC1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)C(=O)O)C(C)C","cluster_id":410,"node_id":369,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C32H48O8/c1-17(2)18(3)9-10-19(4)21-11-14-32(38)27-22(15-26(39-20(5)33)31(21,8)40-32)29(6)13-12-25(35)30(7,28(36)37)24(29)16-23(27)34/h17,19,21,24-26,35,38H,3,9-16H2,1-2,4-8H3,(H,36,37)/t19-,21-,24-,25+,26-,29-,30+,31+,32-/m1/s1","m_plus_h":"561.3422","m_plus_na":"583.3241","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@@]2(O)O[C@]1(C)[C@H](OC(C)=O)CC1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@H](O)[C@@]2(C)C(=O)O)C(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0014129"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000472","name":"Hydroxy acids and derivatives","chemont_id":"CHEMONTID:0000472","description":"Compounds comprising one or more hydroxy acid groups."},"smiles":"CC(C)C(=C)CCC(C)C1CC2(O)OC1(C)C(CC1=C2C(=O)CC2C1(C)CCC(O)C2(C)C(O)=O)OC(C)=O","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=FCPKMYIJBAOCQU-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001713","name":"Beta hydroxy acids and derivatives","chemont_id":"CHEMONTID:0001713","description":"Compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom."},"ancestors":["Alcohols and polyols","Beta hydroxy acids and derivatives","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclic ketones","Cyclohexenones","Dicarboxylic acids and derivatives","Ethers","Hemiacetals","Hydrocarbon derivatives","Hydroxy acids and derivatives","Ketones","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Secondary alcohols","Tetrahydrofurans"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. 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