{"id":24573,"npaid":"NPA024573","original_name":"20-hydroxy-3,12,15,23-tetraoxolanosta-7,9(11),16-trien-26-oic acid","mol_formula":"C30H38O7","mol_weight":"510.6270","exact_mass":"510.2618","inchikey":"JFCYOZDABVWLAB-OGJFIDDRSA-N","smiles":"CC(CC(=O)CC(C)(C1=CC(=O)[C@@]2([C@@]1(C(=O)C=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C(=O)O","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H38O7/c1-16(25(35)36)12-17(31)15-28(5,37)21-14-24(34)29(6)18-8-9-20-26(2,3)22(32)10-11-27(20,4)19(18)13-23(33)30(21,29)7/h8,13-14,16,20,37H,9-12,15H2,1-7H3,(H,35,36)/t16?,20-,27+,28?,29+,30-/m0/s1","m_plus_h":"511.2691","m_plus_na":"533.2510","origin_reference":{"doi":"10.1080/14786419.2017.1378208","pmid":28931319,"authors":"Isaka, Masahiko; Chinthanom, Panida; Mayteeworakoon, Sermsiri; Laoteng, Kobkul; Choowong, Wilunda; Choeyklin, Rattaket","title":"Lanostane triterpenoids from cultivated fruiting bodies of the basidiomycete Ganoderma australe","journal":"Natural Product Research","year":2018,"volume":"32","issue":"9","pages":"1044-1049"},"origin_organism":{"id":8687,"type":"Fungus","genus":"Ganoderma","species":"australe","taxon":{"id":1515,"name":"Ganoderma","rank":"genus","taxon_db":"mycobank","external_id":"17639","ncbi_id":5314,"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":1512,"name":"Ganodermataceae","rank":"family","taxon_db":"mycobank","external_id":"80782","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1080/14786419.2017.1378208","structure_smiles":"CC(CC(=O)CC(C)(C1=CC(=O)[C@@]2([C@@]1(C(=O)C=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0017003"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000258","name":"Steroids and steroid derivatives","chemont_id":"CHEMONTID:0000258","description":"Compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred."},"smiles":"[H]C(C)(CC(=O)CC(C)(O)C1=CC(=O)[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[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=JFCYOZDABVWLAB-OGJFIDDRSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001445","name":"Bile acids, alcohols and derivatives","chemont_id":"CHEMONTID:0001445","description":"Organic compounds containing an alcohol or acid derivative of cholic acid."},"ancestors":["14-alpha-methylsteroids","3-oxo delta-7-steroids","3-oxo-5-alpha-steroids","3-oxosteroids","Alcohols and polyols","Beta-hydroxy ketones","Bile acids, alcohols and derivatives","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Cyclohexenones","Delta-7-steroids","Gamma-keto acids and derivatives","Hydrocarbon derivatives","Hydroxy bile acids, alcohols and derivatives","Hydroxysteroids","Keto acids and derivatives","Ketones","Lipids and lipid-like molecules","Medium-chain keto acids and derivatives","Monocarboxylic acids and derivatives","Monohydroxy bile acids, alcohols and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Oxosteroids","Steroid acids","Steroids and steroid derivatives","Tertiary alcohols"],"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 monohydroxy bile acids, alcohols and derivatives. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic homopolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["steroid acid (CHEBI:47891)","hydroxy steroid (CHEBI:35350)","3-oxo steroid (CHEBI:47788)","3-oxo Delta(7)-steroid (CHEBI:71598)","steroid (CHEBI:35341)","oxo carboxylic acid (CHEBI:25754)","cyclohexenones (CHEBI:48953)","beta-hydroxy ketone (CHEBI:55380)","tertiary alcohol (CHEBI:26878)","carbonyl compound (CHEBI:36586)","carboxylic acid (CHEBI:33575)","carboxylic acid anion (CHEBI:29067)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","bile acid (CHEBI:3098)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","oxo steroid (CHEBI:35789)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","ketone (CHEBI:17087)","cyclic ketone (CHEBI:3992)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Sterol Lipids (ST)","Bile acids and derivatives (ST04)"]},"npclassifier":{"isglycoside":false,"class_results":["Lanostane, Tirucallane and Euphane triterpenoids"],"pathway_results":["Terpenoids"],"superclass_results":["Triterpenoids"]}}