{"id":9000,"npaid":"NPA009000","original_name":"Ganoleuconin M","mol_formula":"C51H74O7","mol_weight":"799.1460","exact_mass":"798.5435","inchikey":"GSUMMBGPXVRPOL-WYQVCHQDSA-N","smiles":"C[C@H](CC[C@@H]([C@@](C)(COC(=O)/C(=C\\CC1=C(C=CC(=C1)O)O)/CC/C=C(\\C)/CCC=C(C)C)O)O)[C@H]2CC[C@@]3([C@@]2(CC=C4C3=CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C","cluster_id":363,"node_id":327,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(52)20-22-42(37)53)46(56)58-32-51(10,57)45(55)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(54)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-53,55,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1","m_plus_h":"799.5508","m_plus_na":"821.5327","origin_reference":{"doi":"10.1021/acs.jnatprod.5b00331","pmid":26287401,"authors":"Wang, Kai; Bao, Li; Xiong, Weiping; Ma, Ke; Han, Junjie; Wang, Wenzhao; Yin, Wenbing; Liu, Hongwei","title":"Lanostane Triterpenes from the Tibetan Medicinal Mushroom Ganoderma leucocontextum and Their Inhibitory Effects on HMG-CoA Reductase and α-Glucosidase","journal":"Journal of Natural Products","year":2015,"volume":"78","issue":"8","pages":"1977-1989"},"origin_organism":{"id":404,"type":"Fungus","genus":"Ganoderma","species":"leucocontextum","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":"10.1021/acs.jnatprod.5b00331","structure_smiles":"C[C@H](CC[C@@H]([C@@](C)(COC(=O)/C(=C\\CC1=C(C=CC(=C1)O)O)/CC/C=C(\\C)/CCC=C(C)C)O)O)[C@H]2CC[C@@]3([C@@]2(CC=C4C3=CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0014606"}],"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](CC[C@H](O)[C@](C)(O)COC(=O)C(\\CC\\C=C(/C)CCC=C(C)C)=C/Cc1cc(O)ccc1O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C","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=GSUMMBGPXVRPOL-WYQVCHQDSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001553","name":"Triterpenoids","chemont_id":"CHEMONTID:0001553","description":"Terpene molecules containing six isoprene units."},"ancestors":["1,2-diols","1-hydroxy-2-unsubstituted benzenoids","14-alpha-methylsteroids","3-oxo delta-7-steroids","3-oxo-5-alpha-steroids","3-oxosteroids","Alcohols and polyols","Alpha,beta-unsaturated carboxylic esters","Benzene and substituted derivatives","Benzenediols","Benzenoids","Bile acids, alcohols and derivatives","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Cyclic ketones","Delta-7-steroids","Dihydroxy bile acids, alcohols and derivatives","Enoate esters","Hydrocarbon derivatives","Hydroquinones","Hydroxy bile acids, alcohols and derivatives","Hydroxysteroids","Ketones","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Oxosteroids","Phenols","Polyols","Prenol lipids","Prenylated hydroquinones","Quinone and hydroquinone lipids","Secondary 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These are terpene molecules containing six isoprene units.","substituents":["Triterpenoid","25-hydroxysteroid","24-hydroxysteroid","Dihydroxy bile acid, alcohol, or derivatives","Hydroxy bile acid, alcohol, or derivatives","Cholane-skeleton","Bile acid, alcohol, or derivatives","Steroid ester","3-oxo-delta-7-steroid","3-oxosteroid","Oxosteroid","14-alpha-methylsteroid","3-oxo-5-alpha-steroid","Steroid","Delta-7-steroid","Prenylbenzoquinol","Hydroquinone","Phenol","1-hydroxy-2-unsubstituted benzenoid","Benzenoid","Monocyclic benzene moiety","Tertiary alcohol","Alpha,beta-unsaturated carboxylic ester","Enoate ester","1,2-diol","Cyclic ketone","Carboxylic acid ester","Secondary alcohol","Ketone","Carboxylic acid derivative","Monocarboxylic acid or derivatives","Carbonyl group","Organic oxygen compound","Hydrocarbon derivative","Organic oxide","Alcohol","Organooxygen compound","Aromatic homopolycyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001553","name":"Triterpenoids","chemont_id":"CHEMONTID:0001553","description":"Terpene molecules containing six isoprene units."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000516","name":"Dihydroxy bile acids, alcohols and derivatives","chemont_id":"CHEMONTID:0000516","description":"Compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001691","name":"Steroid esters","chemont_id":"CHEMONTID:0001691","description":"Compounds containing a steroid moiety which bears a carboxylic acid ester group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004192","name":"14-alpha-methylsteroids","chemont_id":"CHEMONTID:0004192","description":"Steroids substituted at the 14-position with a methyl group in the alpha-configuration."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002986","name":"3-oxo delta-7-steroids","chemont_id":"CHEMONTID:0002986","description":"3-oxo steroids containing a double bond between positions 6 and 7."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003245","name":"3-oxo-5-alpha-steroids","chemont_id":"CHEMONTID:0003245","description":"5-alpha-steroids carrying a C=O group at the 3-position of the steroid skeleton."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001295","name":"Hydroxysteroids","chemont_id":"CHEMONTID:0001295","description":"Compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002984","name":"Delta-7-steroids","chemont_id":"CHEMONTID:0002984","description":"Steroids containing a double bond between positions 7 and 8."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002801","name":"Prenylated hydroquinones","chemont_id":"CHEMONTID:0002801","description":"Quinones with a structure characterized by the hydroquinone ring substituted by an prenyl side-chain."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000136","name":"Hydroquinones","chemont_id":"CHEMONTID:0000136","description":"Compounds containing a hydroquinone moiety, which consists of a benzene ring with a hydroxyl groups at positions 1 and 4."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004646","name":"1-hydroxy-2-unsubstituted benzenoids","chemont_id":"CHEMONTID:0004646","description":"Phenols that a unsubstituted at the 2-position."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002279","name":"Benzene and substituted derivatives","chemont_id":"CHEMONTID:0002279","description":"Aromatic compounds containing one monocyclic ring system consisting of benzene."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001670","name":"Tertiary alcohols","chemont_id":"CHEMONTID:0001670","description":"Compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H )."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003626","name":"Enoate esters","chemont_id":"CHEMONTID:0003626","description":"An alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003487","name":"Cyclic ketones","chemont_id":"CHEMONTID:0003487","description":"Organic compounds containing a ketone that is conjugated to a cyclic moiety."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002467","name":"1,2-diols","chemont_id":"CHEMONTID:0002467","description":"Polyols containing an alcohol group at two adjacent positions."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001137","name":"Monocarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001137","description":"Carboxylic acids containing exactly one carboxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."}],"molecular_framework":"Aromatic homopolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["cholanoid (CHEBI:36078)","steroid ester (CHEBI:47880)","steroid (CHEBI:35341)","3-oxo Delta(7)-steroid (CHEBI:71598)","3-oxo steroid (CHEBI:47788)","hydroxy steroid (CHEBI:35350)","hydroquinones (CHEBI:24646)","phenols (CHEBI:33853)","benzenes (CHEBI:22712)","tertiary alcohol (CHEBI:26878)","enoate ester (CHEBI:51702)","secondary alcohol (CHEBI:35681)","cyclic ketone (CHEBI:3992)","polyol (CHEBI:26191)","carbonyl compound (CHEBI:36586)","organic molecule (CHEBI:72695)","organic oxide (CHEBI:25701)","triterpenoid (CHEBI:36615)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","bile acid (CHEBI:3098)","oxo steroid (CHEBI:35789)","ether lipid (CHEBI:64611)","benzenoid aromatic compound (CHEBI:33836)","benzenediols (CHEBI:33570)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","organooxygen compound (CHEBI:36963)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","carboxylic ester (CHEBI:33308)","alpha,beta-unsaturated carboxylic ester (CHEBI:51737)","ketone (CHEBI:17087)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Bile acids and derivatives (ST04)","Steryl esters (ST0102)","Sterol Lipids (ST)","Quinones and hydroquinones (PR02)","C30 isoprenoids (triterpenes) (PR0106)","Prenol Lipids (PR)"]},"npclassifier":{"isglycoside":false,"class_results":["Lanostane, Tirucallane and Euphane triterpenoids"],"pathway_results":["Terpenoids"],"superclass_results":["Triterpenoids"]}}