{"id":16079,"npaid":"NPA016079","original_name":"Glisoprenin D","mol_formula":"C45H84O7","mol_weight":"737.1600","exact_mass":"736.6217","inchikey":"NWNDDBQOCUDCDV-QYOQUFJESA-N","smiles":"C/C(=C\\CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC(C(C)(C)O)O)O)O)O)O","cluster_id":36,"node_id":35,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C45H84O7/c1-36(18-11-19-37(2)21-13-23-39(4)26-35-46)20-12-22-38(3)24-14-27-42(7,49)28-15-29-43(8,50)30-16-31-44(9,51)32-17-33-45(10,52)34-25-40(47)41(5,6)48/h18,21-22,26,40,46-52H,11-17,19-20,23-25,27-35H2,1-10H3/b36-18+,37-21+,38-22+,39-26+","m_plus_h":"737.6290","m_plus_na":"759.6109","origin_reference":{"doi":"10.7164/antibiotics.51.117","pmid":9544931,"authors":"Thines, Eckhard; Eilbert, Frank; Anke, Heidrun; Sterner, Olov","title":"Glisoprenins C, D and E, new inhibitors of appressorium formation in Magnaporthe grisea, from cultures of Gliocladium roseum. 1. Production and biological activities","journal":"Journal of Antibiotics","year":1998,"volume":"51","issue":"2","pages":"117-122"},"origin_organism":{"id":3880,"type":"Fungus","genus":"Gliocladium","species":"roseum (HA190-95)","taxon":{"id":905,"name":"Gliocladium","rank":"genus","taxon_db":"mycobank","external_id":"8342","ncbi_id":62887,"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":617,"name":"Ascomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90031","ncbi_id":4890},{"id":879,"name":"Sordariomycetes","rank":"class","taxon_db":"mycobank","external_id":"90350","ncbi_id":147550},{"id":899,"name":"Hypocreales","rank":"order","taxon_db":"mycobank","external_id":"90477","ncbi_id":5125},{"id":901,"name":"Hypocreaceae","rank":"family","taxon_db":"mycobank","external_id":"80892","ncbi_id":5129}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.51.117","structure_smiles":"C/C(=C\\CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC(C(C)(C)O)O)O)O)O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0023652"}],"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(CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC(O)C(C)(C)O)=C/CO","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=NWNDDBQOCUDCDV-QYOQUFJESA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001535","name":"Polyprenols","chemont_id":"CHEMONTID:0001535","description":"Prenols with more than 4 consecutive isoprene units."},"ancestors":["Alcohols and polyols","Chemical entities","Fatty Acyls","Fatty alcohols","Hydrocarbon derivatives","Lipids and lipid-like molecules","Organic compounds","Organic oxygen compounds","Organooxygen compounds","Polyols","Polyprenols","Polyterpenoids","Prenol lipids","Primary alcohols","Secondary alcohols","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 polyprenols. These are prenols with more than 4 consecutive isoprene units.","substituents":["Polyterpenoid","Polyprenol skeleton","Fatty alcohol","Fatty acyl","Tertiary alcohol","Secondary alcohol","Polyol","Organic oxygen compound","Hydrocarbon derivative","Primary alcohol","Organooxygen compound","Alcohol","Aliphatic acyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001535","name":"Polyprenols","chemont_id":"CHEMONTID:0001535","description":"Prenols with more than 4 consecutive isoprene units."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001825","name":"Polyterpenoids","chemont_id":"CHEMONTID:0001825","description":"Terpenoids consisting of more than eight isoprene units."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001334","name":"Fatty alcohols","chemont_id":"CHEMONTID:0001334","description":"Aliphatic alcohols consisting of a chain of a least six carbon atoms."},{"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/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/C0002286","name":"Polyols","chemont_id":"CHEMONTID:0002286","description":"Organic compounds containing more than one hydroxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000286","name":"Primary alcohols","chemont_id":"CHEMONTID:0000286","description":"Compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl)."},{"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. 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