{"id":62,"npaid":"NPA000062","original_name":"7a-acetoxy-15-methoxy-10-O-methyl-deacetyldihydrobotrydial","mol_formula":"C19H32O7","mol_weight":"372.4580","exact_mass":"372.2148","inchikey":"JDIHIHVNNCZGOU-YICUCPOMSA-N","smiles":"C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1[C@H](O[C@H]([C@]3([C@@H](C2(C)C)OC(=O)C)C)OC)OC)O)O","cluster_id":56,"node_id":52,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C19H32O7/c1-9-8-11(21)13-17(3,4)15(25-10(2)20)18(5)16(24-7)26-14(23-6)12(9)19(13,18)22/h9,11-16,21-22H,8H2,1-7H3/t9-,11+,12-,13+,14+,15-,16-,18-,19-/m1/s1","m_plus_h":"373.2221","m_plus_na":"395.2040","origin_reference":{"doi":"10.1038/ja.2008.74","pmid":19160523,"authors":"Qin, Xiang-Dong; Shao, Hong-Jun; Dong, Ze-Jun; Liu, Ji-Kai","title":"Six New Induced Sesquiterpenes from the Cultures of Ascomycete Daldinia concentrica","journal":"Journal of Antibiotics","year":2008,"volume":"61","issue":"9","pages":"556-562"},"origin_organism":{"id":62,"type":"Fungus","genus":"Daldinia","species":"concentrica","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":"10.1038/ja.2008.74","structure_smiles":"C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1[C@H](O[C@H]([C@]3([C@@H](C2(C)C)OC(=O)C)C)OC)OC)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0008216"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002012","name":"Oxanes","chemont_id":"CHEMONTID:0002012","description":"Compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms."},"smiles":"CO[C@H]1O[C@@H](OC)[C@@]2(C)[C@H](OC(C)=O)C(C)(C)[C@@H]3[C@@H](O)C[C@@H](C)[C@H]1[C@]23O","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=JDIHIHVNNCZGOU-YICUCPOMSA-N","subclass":null,"ancestors":["Acetals","Alcohols and polyols","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Ethers","Hydrocarbon derivatives","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","Secondary alcohols","Tertiary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as oxanes. 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