{"id":2249,"npaid":"NPA002249","original_name":"Tautomycetin","mol_formula":"C33H50O10","mol_weight":"606.7530","exact_mass":"606.3404","inchikey":"VAIBGAONSFVVKI-LOIRJACGSA-N","smiles":"CC/C(=C\\C(=O)CC(C)CC(C)CCC(C(C)C(=O)CC(C(C)C(C)OC(=O)C[C@H](C1=C(C(=O)OC1=O)C)O)O)O)/C=C","cluster_id":1354,"node_id":1138,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C33H50O10/c1-9-24(10-2)15-25(34)14-19(4)13-18(3)11-12-26(35)21(6)28(37)16-27(36)20(5)23(8)42-30(39)17-29(38)31-22(7)32(40)43-33(31)41/h9,15,18-21,23,26-27,29,35-36,38H,1,10-14,16-17H2,2-8H3/b24-15-/t18?,19?,20?,21?,23?,26?,27?,29-/m1/s1","m_plus_h":"607.3477","m_plus_na":"629.3296","origin_reference":{"doi":"10.7164/antibiotics.43.890","pmid":2387780,"authors":"CHENG, XING-CHUN; UBUKATA, MAKOTO; ISONO, KIYOSHI; 1990, ; tautomycetin, 'The structure of; antibiotic.', a dialkylmaleic anhydride; Antibiotics</i>, <i>The Journal of; 43, vol.; 7, no.; 890-896, pp.","title":"The structure of tautomycetin, a dialkylmaleic anhydride antibiotic","journal":"Journal of Antibiotics","year":1989,"volume":"43","issue":"7","pages":"890-896"},"origin_organism":{"id":1159,"type":"Bacterium","genus":"Streptomyces","species":"griseochromogenes","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":["10.2174/0929867023368818"],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.7164/antibiotics.43.890","structure_smiles":"CC/C(=C\\C(=O)CC(C)CC(C)CCC(C(C)C(=O)CC(C(C)C(C)OC(=O)C[C@H](C1=C(C(=O)OC1=O)C)O)O)O)/C=C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0000157"},{"external_db_name":"npmrd","external_db_code":"NP0011957"}],"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":"CC\\C(C=C)=C/C(=O)CC(C)CC(C)CCC(O)C(C)C(=O)CC(O)C(C)C(C)OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=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=VAIBGAONSFVVKI-LOIRJACGSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001550","name":"Sesquiterpenoids","chemont_id":"CHEMONTID:0001550","description":"Terpenes with three consecutive isoprene units."},"ancestors":["Acryloyl compounds","Alcohols and polyols","Alpha,beta-unsaturated carbonyl compounds","Alpha,beta-unsaturated ketones","Beta hydroxy acids and derivatives","Beta-hydroxy ketones","Butenolides","Carbonyl compounds","Carboxylic acid anhydrides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Dihydrofurans","Enones","Fatty Acyls","Fatty acid esters","Fatty alcohol esters","Fatty alcohols","Furanones","Hydrocarbon derivatives","Hydroxy acids and derivatives","Ketones","Lipids and lipid-like molecules","Long-chain fatty alcohols","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Prenol lipids","Secondary alcohols","Sesquiterpenoids","Tricarboxylic acids and derivatives"],"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 sesquiterpenoids. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["long-chain fatty alcohol (CHEBI:17135)","carboxylic ester (CHEBI:33308)","carbonyl compound (CHEBI:36586)","fatty acid ester (CHEBI:35748)","3-hydroxy carboxylic acid (CHEBI:61355)","butenolide (CHEBI:50523)","beta-hydroxy ketone (CHEBI:55380)","enone (CHEBI:51689)","carboxylic anhydride (CHEBI:35873)","olefinic compound (CHEBI:78840)","secondary alcohol (CHEBI:35681)","oxacycle (CHEBI:38104)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","sesquiterpenoid (CHEBI:26658)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","organooxygen compound (CHEBI:36963)","aliphatic alcohol (CHEBI:2571)","hydroxy carboxylic acid (CHEBI:24669)","organic heterocyclic compound (CHEBI:24532)","dihydrofuran (CHEBI:51659)","furans (CHEBI:24129)","cyclic ketone (CHEBI:3992)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","ketone (CHEBI:17087)","alpha,beta-unsaturated ketone (CHEBI:51721)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","ether lipid (CHEBI:64611)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Fatty alcohols (FA05)","Fatty Acyls (FA)","Fatty esters (FA07)","C15 isoprenoids (sesquiterpenes) (PR0103)","Prenol Lipids (PR)"]},"npclassifier":{"isglycoside":false,"class_results":["Open-chain polyketides"],"pathway_results":["Polyketides"],"superclass_results":["Linear polyketides"]}}