{"id":25524,"npaid":"NPA025524","original_name":"Trivirensol B","mol_formula":"C45H60O15","mol_weight":"840.9600","exact_mass":"840.3932","inchikey":"YWJHSQZZKWLTCN-FEQABAOJSA-N","smiles":"CC(C)[C@H]1CCC2=C([C@@H]1/C=C(\\CO)/C(=O)OC[C@@]3(CC[C@@H]([C@@H]4[C@@H]3C(=O)OCC(=C4)C(=O)OC[C@@]5(CC[C@@H]([C@@H]6[C@@H]5C(=O)OCC(=C6)C(=O)O)C(C)C)O)C(C)C)O)C(=O)OC2","cluster_id":1213,"node_id":1031,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C45H60O15/c1-22(2)29-8-7-25-17-56-41(51)35(25)32(29)13-26(16-46)39(49)59-20-44(54)12-10-31(24(5)6)34-15-28(19-58-43(53)37(34)44)40(50)60-21-45(55)11-9-30(23(3)4)33-14-27(38(47)48)18-57-42(52)36(33)45/h13-15,22-24,29-34,36-37,46,54-55H,7-12,16-21H2,1-6H3,(H,47,48)/b26-13+/t29-,30-,31-,32-,33-,34-,36-,37-,44-,45-/m1/s1","m_plus_h":"841.4005","m_plus_na":"863.3824","origin_reference":{"doi":"10.1021/acs.jnatprod.9b00760","pmid":31625738,"authors":"Jiao WH; Salim AA; Khalil ZG; Dewapriya P; Lin HW; Butler MS; Capon RJ","title":"Trivirensols: Selectively Bacteriostatic Sesquiterpene Trimers from the Australian Termite Nest-Derived Fungus Trichoderma virens CMB-TN16.","journal":"Journal of Natural Products","year":2019,"volume":"82","issue":"11","pages":"3165-3175"},"origin_organism":{"id":7422,"type":"Fungus","genus":"Trichoderma","species":"virens CMB-TN16","taxon":{"id":912,"name":"Trichoderma","rank":"genus","taxon_db":"mycobank","external_id":"10282","ncbi_id":5543,"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":901,"name":"Hypocreaceae","rank":"family","taxon_db":"mycobank","external_id":"80892","ncbi_id":5129}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.jnatprod.9b00760","structure_smiles":"CC(C)[C@H]1CCC2=C([C@@H]1/C=C(\\CO)/C(=O)OC[C@@]3(CC[C@@H]([C@@H]4[C@@H]3C(=O)OCC(=C4)C(=O)OC[C@@]5(CC[C@@H]([C@@H]6[C@@H]5C(=O)OCC(=C6)C(=O)O)C(C)C)O)C(C)C)O)C(=O)OC2","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0020722"}],"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":"[H]\\C(=C(\\CO)C(=O)OC[C@]1(O)CC[C@]([H])(C(C)C)[C@@]2([H])C=C(COC(=O)[C@]12[H])C(=O)OC[C@]1(O)CC[C@]([H])(C(C)C)[C@@]2([H])C=C(COC(=O)[C@]12[H])C(O)=O)[C@@]1([H])C2=C(COC2=O)CC[C@]1([H])C(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=YWJHSQZZKWLTCN-FEQABAOJSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002967","name":"Hexacarboxylic acids and derivatives","chemont_id":"CHEMONTID:0002967","description":"Carboxylic acids containing exactly six carboxyl groups."},"ancestors":["Alcohols and polyols","Alpha,beta-unsaturated carboxylic esters","Beta hydroxy acids and derivatives","Butenolides","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Dihydrofurans","Enoate esters","Fatty Acyls","Fatty acid esters","Furanones","Hexacarboxylic acids and derivatives","Hydrocarbon derivatives","Hydroxy acids and derivatives","Isobenzofurans","Lactones","Lipids and lipid-like molecules","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Prenol lipids","Primary alcohols","Sesquiterpenoids","Terpene lactones","Tertiary 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 hexacarboxylic acids and derivatives. 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