{"id":24173,"npaid":"NPA024173","original_name":"Cryptoporic acid S","mol_formula":"C25H40O8","mol_weight":"468.5870","exact_mass":"468.2723","inchikey":"VNLMUYUQEVFVJO-DSWISHMVSA-N","smiles":"CCCCOC(=O)[C@@H]([C@H](CC(=O)O)C(=O)O)OC[C@H]1C(=C)CCC2[C@@]1(CCC[C@@]2(C)CO)C","cluster_id":472,"node_id":423,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H40O8/c1-5-6-12-32-23(31)21(17(22(29)30)13-20(27)28)33-14-18-16(2)8-9-19-24(3,15-26)10-7-11-25(18,19)4/h17-19,21,26H,2,5-15H2,1,3-4H3,(H,27,28)(H,29,30)/t17-,18-,19?,21+,24-,25+/m0/s1","m_plus_h":"469.2796","m_plus_na":"491.2615","origin_reference":{"doi":"10.1080/10286020.2016.1240170","pmid":27756154,"authors":"Wang, Jun-Chi; Li, Guang-Zhi; Lv, Na; Shen, Lian-Gang; Shi, Lei-Ling; Si, Jian-Yong","title":"Cryptoporic acid S, a new drimane-type sesquiterpene ether of isocitric acid from the fruiting bodies of Cryptoporus volvatus","journal":"Journal of Asian Natural Products Research","year":2017,"volume":"19","issue":"7","pages":"719-724"},"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":"10.1080/10286020.2016.1240170","structure_smiles":"CCCCOC(=O)[C@@H]([C@H](CC(=O)O)C(=O)O)OC[C@H]1C(=C)CCC2[C@@]1(CCC[C@@]2(C)CO)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0015841"}],"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)=O)(C(O)=O)[C@@]([H])(OC[C@@]1([H])C(=C)CCC2([H])[C@](C)(CO)CCC[C@]12C)C(=O)OCCCC","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=VNLMUYUQEVFVJO-DSWISHMVSA-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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