{"id":33221,"npaid":"NPA033221","original_name":"Sesbanimide F","mol_formula":"C26H37NO9","mol_weight":"507.5800","exact_mass":"507.2468","inchikey":"MHWVTRIHXIJYOF-JEGFTUTRSA-N","smiles":"C=C(COC(=O)CCCCC/C=C/C=C/C(=O)O)C(C)C(=O)C(OC)C(O)CC1CC(=O)NC(=O)C1","cluster_id":9572,"node_id":6404,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C26H37NO9/c1-17(16-36-24(33)12-10-8-6-4-5-7-9-11-23(31)32)18(2)25(34)26(35-3)20(28)13-19-14-21(29)27-22(30)15-19/h5,7,9,11,18-20,26,28H,1,4,6,8,10,12-16H2,2-3H3,(H,31,32)(H,27,29,30)/b7-5+,11-9+","m_plus_h":"508.2541","m_plus_na":"530.2360","origin_reference":{"doi":"10.1111/1462-2920.15470","pmid":33734547,"authors":"Kačar, Dina; Cañedo, Librada M.; Rodríguez, Pilar; González, Elena G.; Galán, Beatriz; Schleissner, Carmen; Leopold-Messer, Stefan; Piel, Jörn; Cuevas, Carmen; de la Calle, Fernando; García, José L.","title":"Identification of trans-AT polyketide clusters in two marine bacteria reveals cryptic similarities between distinct symbiosis factors","journal":"Environmental Microbiology","year":2021,"volume":"23","issue":"5","pages":"2509-2521"},"origin_organism":{"id":10738,"type":"Bacterium","genus":"Stappia","species":"indica PHM037","taxon":{"id":1932,"name":"Stappia","rank":"genus","taxon_db":"lpsn","external_id":"517562","ncbi_id":null,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":3,"name":"Alphaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28211},{"id":1930,"name":"Hyphomicrobiales","rank":"order","taxon_db":"lpsn","external_id":" 5020","ncbi_id":null},{"id":1931,"name":"Stappiaceae","rank":"family","taxon_db":"lpsn","external_id":"  11028","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1111/1462-2920.15470","structure_smiles":"C=C(COC(=O)CCCCC/C=C/C=C/C(=O)O)C(C)C(=O)C(OC)C(O)CC1CC(=O)NC(=O)C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000195","name":"Piperidines","chemont_id":"CHEMONTID:0000195","description":"Compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms."},"smiles":"COC(C(O)CC1CC(=O)NC(=O)C1)C(=O)C(C)C(=C)COC(=O)CCCCC\\C=C\\C=C\\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=MHWVTRIHXIJYOF-JEGFTUTRSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001581","name":"Piperidinones","chemont_id":"CHEMONTID:0001581","description":"Compounds containing a piperidine ring which bears a ketone."},"ancestors":["Alcohols and polyols","Azacyclic compounds","Beta-hydroxy ketones","Branched fatty acids","Carbohydrates and carbohydrate conjugates","Carbonyl compounds","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acid imides","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Delta lactams","Dialkyl ethers","Dicarboximides","Dicarboxylic acids and derivatives","Ethers","Fatty Acyls","Fatty acid esters","Fatty acids and conjugates","Fatty amides","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydroxy fatty acids","Ketones","Lactams","Lipids and lipid-like molecules","Monosaccharides","N-acyl amines","N-unsubstituted carboxylic acid imides","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Piperidinediones","Piperidines","Piperidinones","Secondary alcohols","Unsaturated fatty acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as piperidinediones. 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