{"id":26924,"npaid":"NPA026924","original_name":"Dahliane H","mol_formula":"C24H36O6","mol_weight":"420.5460","exact_mass":"420.2512","inchikey":"QKQWYCCVHVFKEM-WADRPXCBSA-N","smiles":"CC(=O)O[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@@H](C(C)C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]3[C@H]3OCC1=C32","cluster_id":1140,"node_id":974,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C24H36O6/c1-12(2)17-22(30-14(4)26)20(27)19-21-18-15(11-28-21)16(29-13(3)25)7-8-23(18,5)9-10-24(17,19)6/h12,16-17,19-22,27H,7-11H2,1-6H3/t16-,17-,19+,20-,21-,22+,23-,24+/m0/s1","m_plus_h":"421.2585","m_plus_na":"443.2404","origin_reference":{"doi":"10.1016/j.fitote.2019.01.009","pmid":30659876,"authors":"Zhang, Hong; Yang, Ming-Hua; Li, Yun; Cheng, Xiao-Bei; Pei, Yue-Hu; Kong, Ling-Yi","title":"Seven new guanacastane-type diterpenoids from the fungus Verticillium dahliae","journal":"Fitoterapia","year":2019,"volume":"133","issue":null,"pages":"219-224"},"origin_organism":{"id":637,"type":"Fungus","genus":"Verticillium","species":"dahliae","taxon":{"id":1110,"name":"Verticillium","rank":"genus","taxon_db":"mycobank","external_id":"10400","ncbi_id":1036719,"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":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":1104,"name":"Glomerellales","rank":"order","taxon_db":"mycobank","external_id":"515429","ncbi_id":1028384},{"id":1108,"name":"Plectosphaerellaceae","rank":"family","taxon_db":"mycobank","external_id":"510694","ncbi_id":1033978}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.fitote.2019.01.009","structure_smiles":"CC(=O)O[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@@H](C(C)C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]3[C@H]3OCC1=C32","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0019125"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"CC(C)[C@H]1[C@@H](OC(C)=O)[C@@H](O)[C@@H]2[C@H]3OCC4=C3[C@@](C)(CC[C@@H]4OC(C)=O)CC[C@]12C","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=QKQWYCCVHVFKEM-WADRPXCBSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000346","name":"Dicarboxylic acids and derivatives","chemont_id":"CHEMONTID:0000346","description":"Organic compounds containing exactly two carboxylic acid groups."},"ancestors":["Alcohols and polyols","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Dialkyl ethers","Dicarboxylic acids and derivatives","Dihydrofurans","Ethers","Hydrocarbon derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Secondary alcohols"],"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 dicarboxylic acids and derivatives. 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