{"id":4740,"npaid":"NPA004740","original_name":"Poricoic acid AE","mol_formula":"C33H50O5","mol_weight":"526.7580","exact_mass":"526.3658","inchikey":"RKZGUCXRSIGYMA-QSZXRLQHSA-N","smiles":"CCOC(=O)CC[C@]1([C@@H](CC=C2C1=CC[C@]3([C@]2(C[C@H]([C@@H]3[C@@H](CCC(=C)C(C)C)C(=O)O)O)C)C)C(=C)C)C","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C33H50O5/c1-10-38-28(35)16-17-31(7)24(21(4)5)13-14-26-25(31)15-18-32(8)29(27(34)19-33(26,32)9)23(30(36)37)12-11-22(6)20(2)3/h14-15,20,23-24,27,29,34H,4,6,10-13,16-19H2,1-3,5,7-9H3,(H,36,37)/t23-,24+,27-,29+,31+,32-,33+/m1/s1","m_plus_h":"527.3731","m_plus_na":"549.3550","origin_reference":{"doi":"10.1002/hlca.200800360","pmid":null,"authors":"Yang, Chun-Hua; Zhang, Shi-Fang; Liu, Wen-Ying; Zhang, Zun-Jian; Liu, Jing-Han","title":"Two New Triterpenes from the Surface Layer of Poria cocos","journal":"Helvetica Chimica Acta","year":2009,"volume":"92","issue":"4","pages":"660-667"},"origin_organism":{"id":1005,"type":"Fungus","genus":"Poria","species":"cocos","taxon":{"id":1568,"name":"Poria","rank":"genus","taxon_db":"mycobank","external_id":"39255","ncbi_id":81051,"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":"10.1002/hlca.200800360","structure_smiles":"CCOC(=O)CC[C@]1([C@@H](CC=C2C1=CC[C@]3([C@]2(C[C@H]([C@@H]3[C@@H](CCC(=C)C(C)C)C(=O)O)O)C)C)C(=C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0138879"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000259","name":"Prenol lipids","chemont_id":"CHEMONTID:0000259","description":"Lipids synthesized from the five-carbon-unit precursors isopentenyl diphosphate and dimethylallyl diphosphate."},"smiles":"CCOC(=O)CC[C@@]1(C)[C@@H](CC=C2C1=CC[C@]1(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@@]21C)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=RKZGUCXRSIGYMA-QSZXRLQHSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001553","name":"Triterpenoids","chemont_id":"CHEMONTID:0001553","description":"Terpene molecules containing six isoprene units."},"ancestors":["Alcohols and polyols","Branched fatty acids","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Dicarboxylic acids and derivatives","Fatty Acyls","Fatty acid esters","Fatty acids and conjugates","Hydrocarbon derivatives","Hydroxy fatty acids","Lipids and lipid-like molecules","Medium-chain fatty acids","Methyl-branched fatty acids","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Prenol lipids","Secondary alcohols","Triterpenoids","Unsaturated fatty acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as triterpenoids. 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