{"id":23725,"npaid":"NPA023725","original_name":"Palustrisoic acid B","mol_formula":"C37H58O8","mol_weight":"630.8630","exact_mass":"630.4132","inchikey":"PDPHXWNFSFMLOA-IIMCFSKWSA-N","smiles":"C[C@H](CCC(=C)[C@H](C)C(=O)O)[C@H]1CC[C@@]2([C@@]1([C@H](CC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C[C@](C)(CC(=O)O)O)C)O)C)C","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C37H58O8/c1-21(23(3)32(42)43)10-11-22(2)24-14-17-36(8)25-12-13-27-33(4,5)29(45-31(41)20-34(6,44)19-30(39)40)15-16-35(27,7)26(25)18-28(38)37(24,36)9/h22-24,27-29,38,44H,1,10-20H2,2-9H3,(H,39,40)(H,42,43)/t22-,23+,24-,27+,28+,29+,34+,35-,36+,37+/m1/s1","m_plus_h":"631.4205","m_plus_na":"653.4024","origin_reference":{"doi":"10.1016/j.phytochem.2018.04.012","pmid":29715599,"authors":"Zhao, Jinzhi; Yang, Yun; Yu, Mengyao; Yao, Ke; Luo, Xia; Qi, Huayi; Zhang, Guolin; Luo, Yinggang","title":"Lanostane-type C31 triterpenoid derivatives from the fruiting bodies of cultivated Fomitopsis palustris","journal":"Phytochemistry","year":2018,"volume":"152","issue":null,"pages":"10-21"},"origin_organism":{"id":8202,"type":"Fungus","genus":"Fomitopsis","species":"palustris","taxon":{"id":1521,"name":"Fomitopsis","rank":"genus","taxon_db":"mycobank","external_id":"17612","ncbi_id":34474,"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":1518,"name":"Fomitopsidaceae","rank":"family","taxon_db":"mycobank","external_id":"81772","ncbi_id":1769247}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.phytochem.2018.04.012","structure_smiles":"C[C@H](CCC(=C)[C@H](C)C(=O)O)[C@H]1CC[C@@]2([C@@]1([C@H](CC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C[C@](C)(CC(=O)O)O)C)O)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0018011"}],"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":"[H][C@@](C)(CCC(=C)[C@]([H])(C)C(O)=O)[C@@]1([H])CC[C@@]2(C)C3=C(C[C@]([H])(O)[C@]12C)[C@@]1(C)CC[C@]([H])(OC(=O)C[C@@](C)(O)CC(O)=O)C(C)(C)[C@]1([H])CC3","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=PDPHXWNFSFMLOA-IIMCFSKWSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001553","name":"Triterpenoids","chemont_id":"CHEMONTID:0001553","description":"Terpene molecules containing six isoprene units."},"ancestors":["12-hydroxysteroids","14-alpha-methylsteroids","Alcohols and polyols","Bile acids, alcohols and derivatives","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Hydrocarbon derivatives","Hydroxy bile acids, alcohols and derivatives","Hydroxysteroids","Lipids and lipid-like molecules","Monohydroxy bile acids, alcohols and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Prenol lipids","Secondary alcohols","Steroid acids","Steroid esters","Steroids and steroid derivatives","Tertiary alcohols","Tricarboxylic acids and derivatives","Triterpenoids"],"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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