{"id":17031,"npaid":"NPA017031","original_name":"7-acetyl-10-methoxydihydrobotrydial","mol_formula":"C20H32O7","mol_weight":"384.4690","exact_mass":"384.2148","inchikey":"IHSBZCFQDCYGJE-HRKQAJMZSA-N","smiles":"C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1[C@H](OC[C@]3([C@@H](C2(C)C)OC(=O)C)C)OC)O)OC(=O)C","cluster_id":255,"node_id":52,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C20H32O7/c1-10-8-13(26-11(2)21)15-18(4,5)17(27-12(3)22)19(6)9-25-16(24-7)14(10)20(15,19)23/h10,13-17,23H,8-9H2,1-7H3/t10-,13+,14-,15+,16+,17-,19+,20-/m1/s1","m_plus_h":"385.2221","m_plus_na":"407.2040","origin_reference":{"doi":"10.1021/np0498206","pmid":15787444,"authors":"Krohn, Karsten; Dai, Jingqiu; Floerke, Ulrich; Aust, Hans-Juergen; Draeger, Siegfried; Schulz, Barbara","title":"Botryane metabolites from the fungus Geniculosporium sp. isolated from the marine red alga Polysiphonia","journal":"Journal of Natural Products","year":2005,"volume":"68","issue":"3","pages":"400-405"},"origin_organism":{"id":1512,"type":"Fungus","genus":"Geniculosporium","species":"sp.","taxon":{"id":1008,"name":"Geniculosporium","rank":"genus","taxon_db":"mycobank","external_id":"8322","ncbi_id":1479502,"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":1005,"name":"Xylariaceae","rank":"family","taxon_db":"mycobank","external_id":"81528","ncbi_id":37990}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np0498206","structure_smiles":"C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1[C@H](OC[C@]3([C@@H](C2(C)C)OC(=O)C)C)OC)O)OC(=O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0005776"}],"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]1OC[C@@]2(C)[C@H](OC(C)=O)C(C)(C)[C@@H]3[C@H](C[C@@H](C)[C@H]1[C@]23O)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=IHSBZCFQDCYGJE-HRKQAJMZSA-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","Dicarboxylic acids and derivatives","Ethers","Hydrocarbon derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","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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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/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"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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