{"id":10176,"npaid":"NPA010176","original_name":"Daldiniside A","mol_formula":"C15H20O7","mol_weight":"312.3180","exact_mass":"312.1209","inchikey":"YZHXEQPQTJRHFC-UEIOZHCVSA-N","smiles":"C[C@@H]1C[C@H](C2=C(O1)C=CC=C2O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O","cluster_id":4113,"node_id":3054,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C15H20O7/c1-7-5-8(17)12-9(20-7)3-2-4-10(12)21-15-14(19)13(18)11(6-16)22-15/h2-4,7-8,11,13-19H,5-6H2,1H3/t7-,8-,11-,13-,14-,15+/m1/s1","m_plus_h":"313.1282","m_plus_na":"335.1101","origin_reference":{"doi":"10.3390/md12115563","pmid":25419997,"authors":"Hu, Zheng-Xi; Xue, Yong-Bo; Bi, Xiao-Bin; Zhang, Jin-Wen; Luo, Zeng-Wei; Li, Xiao-Nian; Yao, Guang-Min; Wang, Jian-Ping; Zhang, Yong-Hui","title":"Five new secondary metabolites produced by a Marine-associated fungus, Daldinia eschscholzii","journal":"Marine Drugs","year":2014,"volume":"12","issue":"11","pages":"5563-5575"},"origin_organism":{"id":75,"type":"Fungus","genus":"Daldinia","species":"eschscholzii","taxon":{"id":996,"name":"Daldinia","rank":"genus","taxon_db":"mycobank","external_id":"1408","ncbi_id":42360,"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":993,"name":"Xylariales","rank":"order","taxon_db":"mycobank","external_id":"90505","ncbi_id":37989},{"id":994,"name":"Hypoxylaceae","rank":"family","taxon_db":"mycobank","external_id":"81885","ncbi_id":2033035}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.3390/md12115563","structure_smiles":"C[C@@H]1C[C@H](C2=C(O1)C=CC=C2O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0013496"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000323","name":"Organooxygen compounds","chemont_id":"CHEMONTID:0000323","description":"Organic compounds containing a bond between a carbon atom and an oxygen atom."},"smiles":"[H][C@]1(CO)O[C@]([H])(OC2=CC=CC3=C2[C@]([H])(O)C[C@@]([H])(C)O3)[C@]([H])(O)[C@]1([H])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=YZHXEQPQTJRHFC-UEIOZHCVSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000011","name":"Carbohydrates and carbohydrate conjugates","chemont_id":"CHEMONTID:0000011","description":"Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives."},"ancestors":["1-benzopyrans","Acetals","Alcohols and polyols","Alkyl aryl ethers","Benzenoids","Benzopyrans","Carbohydrates and carbohydrate conjugates","Chemical entities","Ethers","Glycosyl compounds","Hydrocarbon derivatives","Monosaccharides","O-glycosyl compounds","Organic compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Pentoses","Phenolic glycosides","Primary alcohols","Secondary alcohols","Tetrahydrofurans"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004603","name":"Organic oxygen compounds","chemont_id":"CHEMONTID:0004603","description":"Organic compounds that contain one or more oxygen atoms."},"description":"This compound belongs to the class of organic compounds known as phenolic glycosides. 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Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000286","name":"Primary alcohols","chemont_id":"CHEMONTID:0000286","description":"Compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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