{"id":2896,"npaid":"NPA002896","original_name":"Tricladolide A","mol_formula":"C13H14O5","mol_weight":"250.2500","exact_mass":"250.0841","inchikey":"HCSKILVSDLILBO-KQQUZDAGSA-N","smiles":"CC1=C(C(=O)OC1=O)/C=C/CCC/C=C/C(=O)O","cluster_id":1668,"node_id":1362,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C13H14O5/c1-9-10(13(17)18-12(9)16)7-5-3-2-4-6-8-11(14)15/h5-8H,2-4H2,1H3,(H,14,15)/b7-5+,8-6+","m_plus_h":"251.0914","m_plus_na":"273.0733","origin_reference":{"doi":"10.1021/np500773s","pmid":25875311,"authors":"Han, Chunguang; Furukawa, Hiroyuki; Tomura, Tomohiko; Fudou, Ryosuke; Kaida, Kenichi; Choi, Bong-Keun; Imokawa, Genji; Ojika, Makoto","title":"Bioactive maleic anhydrides and related diacids from the aquatic hyphomycete Tricladium castaneicola","journal":"Journal of Natural Products","year":2015,"volume":"78","issue":"4","pages":"639-644"},"origin_organism":{"id":1847,"type":"Fungus","genus":"Tricladium","species":"castaneicola","taxon":{"id":1159,"name":"Tricladium","rank":"genus","taxon_db":"mycobank","external_id":"10306","ncbi_id":223899,"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":1150,"name":"Leotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501487","ncbi_id":147548},{"id":1154,"name":"Helotiales","rank":"order","taxon_db":"mycobank","external_id":"90751","ncbi_id":5178},{"id":1155,"name":"Helotiaceae","rank":"family","taxon_db":"mycobank","external_id":"80845","ncbi_id":5181}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np500773s","structure_smiles":"CC1=C(C(=O)OC1=O)/C=C/CCC/C=C/C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0014050"}],"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":"CC1=C(\\C=C\\CCC\\C=C\\C(O)=O)C(=O)OC1=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=HCSKILVSDLILBO-KQQUZDAGSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001986","name":"Tricarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001986","description":"Carboxylic acids containing exactly three carboxyl groups."},"ancestors":["Butenolides","Carbonyl compounds","Carboxylic acid anhydrides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dihydrofurans","Furanones","Hydrocarbon derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Tricarboxylic acids and derivatives"],"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 tricarboxylic acids and derivatives. 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