{"id":12895,"npaid":"NPA012895","original_name":"20-hydroxylganoderic acid G","mol_formula":"C30H44O9","mol_weight":"548.6730","exact_mass":"548.2985","inchikey":"HHCQRNABFNZPFW-KLMKBIGWSA-N","smiles":"C[C@H](CC(=O)C[C@@](C)([C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)O)C)C)O)C(=O)O","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H44O9/c1-14(25(37)38)10-15(31)13-28(5,39)18-12-20(34)30(7)21-16(32)11-17-26(2,3)19(33)8-9-27(17,4)22(21)23(35)24(36)29(18,30)6/h14,16-19,24,32-33,36,39H,8-13H2,1-7H3,(H,37,38)/t14-,16+,17+,18-,19+,24-,27+,28+,29+,30+/m1/s1","m_plus_h":"549.3058","m_plus_na":"571.2877","origin_reference":{"doi":"10.1021/np010385e","pmid":11809071,"authors":"Ma, Jiyuan; Ye, Qing; Hua, Yanjun; Zhang, Decheng; Cooper, Raymond; Chang, Michael N.; Chang, Joseph Y.; Sun, Hao H.","title":"New lanostanoids from the mushroom Ganoderma lucidum","journal":"Journal of Natural Products","year":2002,"volume":"65","issue":"1","pages":"72-75"},"origin_organism":{"id":159,"type":"Fungus","genus":"Ganoderma","species":"lucidum","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/np010385e","structure_smiles":"C[C@H](CC(=O)C[C@@](C)([C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)O)C)C)O)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003979"}],"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)(CC(=O)C[C@](C)(O)[C@@]1([H])CC(=O)[C@@]2(C)C3=C(C(=O)[C@@]([H])(O)[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)[C@]1([H])C[C@]3([H])O)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=HHCQRNABFNZPFW-KLMKBIGWSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001553","name":"Triterpenoids","chemont_id":"CHEMONTID:0001553","description":"Terpene molecules containing six isoprene units."},"ancestors":["11-oxosteroids","12-beta-hydroxysteroids","12-hydroxysteroids","14-alpha-methylsteroids","3-beta-hydroxysteroids","3-hydroxysteroids","7-alpha-hydroxysteroids","7-hydroxysteroids","Alcohols and polyols","Beta-hydroxy ketones","Bile acids, alcohols and derivatives","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Cyclic ketones","Cyclohexenones","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","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Oxosteroids","Polyols","Prenol lipids","Secondary alcohols","Steroid acids","Steroids and steroid derivatives","Tertiary alcohols","Tetrahydroxy bile acids, alcohols 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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skeleton."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003243","name":"12-beta-hydroxysteroids","chemont_id":"CHEMONTID:0003243","description":"Hydroxysteroids carrying a beta-hydroxyl group at the 12-position."},{"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/C0003233","name":"3-beta-hydroxysteroids","chemont_id":"CHEMONTID:0003233","description":"Steroids carrying a beta-hydroxyl group at the 3-position of the steroid backbone."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003239","name":"7-alpha-hydroxysteroids","chemont_id":"CHEMONTID:0003239","description":"Steroids carrying a alpha-hydroxyl group at the 7-position of the steroid backbone."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001415","name":"Medium-chain keto 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic homopolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["bile acid (CHEBI:3098)","steroid acid (CHEBI:47891)","11-oxo steroid (CHEBI:47787)","12beta-hydroxy steroid (CHEBI:36847)","steroid (CHEBI:35341)","3beta-hydroxy steroid (CHEBI:36836)","7alpha-hydroxy steroid (CHEBI:36843)","oxo carboxylic acid (CHEBI:25754)","cyclohexenones (CHEBI:48953)","beta-hydroxy ketone (CHEBI:55380)","tertiary alcohol (CHEBI:26878)","organic hydroxy compound (CHEBI:33822)","secondary alcohol (CHEBI:35681)","carboxylic acid (CHEBI:33575)","carboxylic acid anion (CHEBI:29067)","carbonyl compound (CHEBI:36586)","polyol (CHEBI:26191)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","triterpenoid (CHEBI:36615)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","oxo steroid (CHEBI:35789)","hydroxy steroid (CHEBI:35350)","12-hydroxy steroid (CHEBI:36845)","3-hydroxy steroid (CHEBI:36834)","7-hydroxy steroid (CHEBI:36844)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","ketone (CHEBI:17087)","cyclic ketone (CHEBI:3992)","alcohol (CHEBI:30879)","ether lipid (CHEBI:64611)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Bile acids and derivatives (ST04)","Sterol Lipids (ST)","C30 isoprenoids (triterpenes) (PR0106)","Prenol Lipids (PR)"]},"npclassifier":{"isglycoside":false,"class_results":["Lanostane, Tirucallane and Euphane triterpenoids"],"pathway_results":["Terpenoids"],"superclass_results":["Triterpenoids"]}}