{"id":32824,"npaid":"NPA032824","original_name":"Sesterfisheric acid","mol_formula":"C25H40O3","mol_weight":"388.5920","exact_mass":"388.2977","inchikey":"SLCDJJDPKICHGM-ZIFIXUEUSA-N","smiles":"C/C1=C2\\CC[C@@H](C)[C@@H]2CC[C@H](C)[C@H]2C[C@@]3(C(=O)O)CC[C@H](C(C)C)[C@@H]3C[C@]12O","cluster_id":9484,"node_id":28,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H40O3/c1-14(2)18-10-11-24(23(26)27)12-21-16(4)7-8-19-15(3)6-9-20(19)17(5)25(21,28)13-22(18)24/h14-16,18-19,21-22,28H,6-13H2,1-5H3,(H,26,27)/b20-17-/t15-,16+,18-,19+,21-,22+,24+,25+/m1/s1","m_plus_h":"389.3050","m_plus_na":"411.2869","origin_reference":{"doi":"10.1021/jacs.5b08319","pmid":26332841,"authors":"Ye, Ying; Minami, Atsushi; Mandi, Attila; Liu, Chengwei; Taniguchi, Tohru; Kuzuyama, Tomohisa; Monde, Kenji; Gomi, Katsuya; Oikawa, Hideaki","title":"Genome Mining for Sesterterpenes Using Bifunctional Terpene Synthases Reveals a Unified Intermediate of Di/Sesterterpenes","journal":"Journal of the American Chemical Society","year":2015,"volume":"137","issue":"36","pages":"11846-11853"},"origin_organism":{"id":302,"type":"Fungus","genus":"Aspergillus","species":"oryzae","taxon":{"id":1237,"name":"Aspergillus","rank":"genus","taxon_db":"mycobank","external_id":"7248","ncbi_id":5052,"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":1212,"name":"Eurotiomycetes","rank":"class","taxon_db":"mycobank","external_id":"501483","ncbi_id":147545},{"id":1235,"name":"Eurotiales","rank":"order","taxon_db":"mycobank","external_id":"90472","ncbi_id":5042},{"id":1236,"name":"Aspergillaceae","rank":"family","taxon_db":"mycobank","external_id":"80489","ncbi_id":1131492}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/jacs.5b08319","structure_smiles":"C/C1=C2\\CC[C@@H](C)[C@@H]2CC[C@H](C)[C@H]2C[C@@]3(C(=O)O)CC[C@H](C(C)C)[C@@H]3C[C@]12O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002162"}],"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@@]1(C)CC\\C2=C(C)\\[C@@]3(O)C[C@@]4([H])[C@]([H])(CC[C@@]4(C[C@]3([H])[C@@]([H])(C)CC[C@@]12[H])C(O)=O)C(C)C","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=SLCDJJDPKICHGM-ZIFIXUEUSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001552","name":"Sesterterpenoids","chemont_id":"CHEMONTID:0001552","description":"Terpenes composed of five consecutive isoprene units."},"ancestors":["Alcohols and polyols","Branched fatty acids","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic alcohols and derivatives","Fatty Acyls","Fatty acids and conjugates","Hydrocarbon derivatives","Hydroxy fatty acids","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Prenol lipids","Sesterterpenoids","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 sesterterpenoids. 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