{"id":19316,"npaid":"NPA019316","original_name":"Maximiscin","mol_formula":"C23H31NO8","mol_weight":"449.5000","exact_mass":"449.2050","inchikey":"BHUFOFQGYXAGAC-XMGLCDBZSA-N","smiles":"C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CN(C2=O)O[C@H]3[C@H]([C@H]([C@H](C=C3C(=O)OC)O)O)O)O)C","cluster_id":2840,"node_id":2190,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H31NO8/c1-5-13-9-11(2)8-12(3)17(13)18-15(25)6-7-24(22(18)29)32-21-14(23(30)31-4)10-16(26)19(27)20(21)28/h5-7,10-13,16-17,19-21,25-28H,1,8-9H2,2-4H3/t11-,12+,13-,16+,17-,19+,20+,21-/m1/s1","m_plus_h":"450.2123","m_plus_na":"472.1942","origin_reference":{"doi":"10.1002/anie.201306549","pmid":24285637,"authors":"Du, Lin; Robles, Andrew J.; King, Jarrod B.; Powell, Douglas R.; Miller, Andrew N.; Mooberry, Susan L.; Cichewicz, Robert H.","title":"Crowdsourcing natural products discovery to access uncharted dimensions of fungal metabolite diversity","journal":"Angewandte Chemie International Edition","year":2014,"volume":"53","issue":"3","pages":"804-809"},"origin_organism":{"id":3544,"type":"Fungus","genus":"Tolypocladium","species":"sp.","taxon":{"id":970,"name":"Tolypocladium","rank":"genus","taxon_db":"mycobank","external_id":"10242","ncbi_id":29909,"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":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125},{"id":965,"name":"Ophiocordycipitaceae","rank":"family","taxon_db":"mycobank","external_id":"504190","ncbi_id":474942}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/anie.201306549","structure_smiles":"C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CN(C2=O)O[C@H]3[C@H]([C@H]([C@H](C=C3C(=O)OC)O)O)O)O)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0012290"}],"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(C)C[C@]([H])(C)[C@@]([H])(C2=C(O)C=CN(O[C@]3([H])C(=C[C@]([H])(O)[C@]([H])(O)[C@]3([H])O)C(=O)OC)C2=O)[C@@]([H])(C1)C=C","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=BHUFOFQGYXAGAC-XMGLCDBZSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000129","name":"Alcohols and polyols","chemont_id":"CHEMONTID:0000129","description":"Organic compounds in which at least one hydroxyl functional group (-OH) is bound to a carbon atom, usually connected to other carbon or hydrogen atoms."},"ancestors":["Alcohols and polyols","Alpha,beta-unsaturated carboxylic esters","Azacyclic compounds","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclitols and derivatives","Dihydropyridines","Enoate esters","Heteroaromatic compounds","Hydrocarbon derivatives","Hydropyridines","Hydroxypyridines","Lactams","Methyl esters","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Polyols","Pyridines and derivatives","Pyridinones","Secondary alcohols","Shikimic acids and derivatves","Vinylogous acids"],"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 shikimic acids and derivatves. 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