{"id":3565,"npaid":"NPA003565","original_name":"Echinodol","mol_formula":"C32H50O4","mol_weight":"498.7480","exact_mass":"498.3709","inchikey":"CPTYJLQLCCZXEV-VHHSCEHSSA-N","smiles":"C[C@H]1[C@H]2[C@@H](C[C@@]3([C@@]2(CCC4=C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O[C@H]([C@@H]1OC(=O)C)C=C(C)C","cluster_id":1958,"node_id":1572,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C32H50O4/c1-18(2)16-23-28(35-20(4)33)19(3)27-24(36-23)17-32(9)22-10-11-25-29(5,6)26(34)13-14-30(25,7)21(22)12-15-31(27,32)8/h16,19,23-28,34H,10-15,17H2,1-9H3/t19-,23-,24+,25?,26-,27-,28+,30+,31+,32-/m0/s1","m_plus_h":"499.3782","m_plus_na":"521.3601","origin_reference":{"doi":"10.1021/ja00968a052","pmid":5916380,"authors":"Bond, F T; Fullerton, D S; Sciuchetti, L A; Catalfomo, P","title":"The isolation and structure of echinodol, a triterpene acetate","journal":"Journal of the American Chemical Society","year":1966,"volume":"88","issue":"16","pages":"3882-3883"},"origin_organism":{"id":2160,"type":"Fungus","genus":"Echinodontium","species":"tinctorium","taxon":{"id":1497,"name":"Echinodontium","rank":"genus","taxon_db":"mycobank","external_id":"17540","ncbi_id":40439,"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":1488,"name":"Russulales","rank":"order","taxon_db":"mycobank","external_id":"90569","ncbi_id":452342},{"id":1495,"name":"Bondarzewiaceae","rank":"family","taxon_db":"mycobank","external_id":"80527","ncbi_id":40420}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/ja00968a052","structure_smiles":"C[C@H]1[C@H]2[C@@H](C[C@@]3([C@@]2(CCC4=C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O[C@H]([C@@H]1OC(=O)C)C=C(C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0021780"}],"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":"C[C@H]1[C@H]2[C@@H](C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)C2CC4)O[C@@H](C=C(C)C)[C@@H]1OC(C)=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=CPTYJLQLCCZXEV-VHHSCEHSSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001553","name":"Triterpenoids","chemont_id":"CHEMONTID:0001553","description":"Terpene molecules containing six isoprene units."},"ancestors":["14-alpha-methylsteroids","3-beta-hydroxysteroids","3-hydroxysteroids","Alcohols and polyols","C-glycosyl compounds","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Dialkyl ethers","Ethers","Glycosyl compounds","Hydrocarbon derivatives","Hydroxysteroids","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","Prenol lipids","Secondary alcohols","Steroids and steroid 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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