{"id":1158,"npaid":"NPA001158","original_name":"Cryptoporic acid R","mol_formula":"C29H48O8","mol_weight":"524.6950","exact_mass":"524.3349","inchikey":"SXVSSYHDQPCPKI-KXZOCZCFSA-N","smiles":"CCCCOC(=O)C[C@@H]([C@H](C(=O)O)OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@@]2(C)CO)C)C(=O)OCCCC","cluster_id":472,"node_id":423,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C29H48O8/c1-6-8-15-35-24(31)17-21(27(34)36-16-9-7-2)25(26(32)33)37-18-22-20(3)11-12-23-28(4,19-30)13-10-14-29(22,23)5/h21-23,25,30H,3,6-19H2,1-2,4-5H3,(H,32,33)/t21-,22-,23-,25+,28-,29+/m0/s1","m_plus_h":"525.3422","m_plus_na":"547.3241","origin_reference":{"doi":"10.1016/j.phytol.2015.09.005","pmid":null,"authors":"Wang, Junchi; Li, Guangzhi; Gao, Li; Cao, Li; Lv, Na; Shen, Liangang; Si, Jianyong","title":"Two new cryptoporic acid derivatives from the fruiting bodies of Cryptoporus volvatus","journal":"Phytochemistry Letters","year":2015,"volume":"14","issue":null,"pages":"63-66"},"origin_organism":{"id":898,"type":"Fungus","genus":"Cryptoporus","species":"volvatus","taxon":{"id":1551,"name":"Cryptoporus","rank":"genus","taxon_db":"mycobank","external_id":"17416","ncbi_id":40430,"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":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1548,"name":"Polyporaceae","rank":"family","taxon_db":"mycobank","external_id":"81203","ncbi_id":5317}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.phytol.2015.09.005","structure_smiles":"CCCCOC(=O)C[C@@H]([C@H](C(=O)O)OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@@]2(C)CO)C)C(=O)OCCCC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0043858"}],"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@@](CC(=O)OCCCC)(C(=O)OCCCC)[C@@]([H])(OC[C@@]1([H])C(=C)CC[C@@]2([H])[C@](C)(CO)CCC[C@]12C)C(O)=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=SXVSSYHDQPCPKI-KXZOCZCFSA-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":["Alcohols and polyols","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Ethers","Fatty Acyls","Fatty acid esters","Hydrocarbon derivatives","Lipids and lipid-like molecules","Monosaccharides","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Primary alcohols","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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