{"id":25673,"npaid":"NPA025673","original_name":"Vatiamide D","mol_formula":"C31H45BrClNO7","mol_weight":"659.0580","exact_mass":"657.2068","inchikey":"MUWOPMUWBVOVID-XPKNVKJBSA-N","smiles":"COC1=CC(=O)OC(CC2CC(OC)C(C)C(O)(CNC(=O)CCC=C[C@H](C)CCC(=CCl)CCCC#CBr)O2)C1","cluster_id":7763,"node_id":5291,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C31H45BrClNO7/c1-22(13-14-24(20-33)11-6-5-9-15-32)10-7-8-12-29(35)34-21-31(37)23(2)28(39-4)18-27(41-31)17-26-16-25(38-3)19-30(36)40-26/h7,10,19-20,22-23,26-28,37H,5-6,8,11-14,16-18,21H2,1-4H3,(H,34,35)/t22-,23?,26?,27?,28?,31?/m0/s1","m_plus_h":"658.2141","m_plus_na":"680.1960","origin_reference":{"doi":"10.1002/anie.201902571","pmid":31071229,"authors":"Moss, Nathan A.; Seiler, Grant; Leão, Tiago F.; Castro-Falcón, Gabriel; Gerwick, Lena; Hughes, Chambers C.; Gerwick, William H.","title":"Nature's Combinatorial Biosynthesis Produces Vatiamides A–F","journal":"Angewandte Chemie International Edition","year":2019,"volume":"58","issue":"27","pages":"9027-9031"},"origin_organism":{"id":9386,"type":"Bacterium","genus":"Moorea","species":"producens ASI6Jul14-2","taxon":{"id":479,"name":"Moorea","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1155738,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":417,"name":"Cyanobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1117},{"id":418,"name":"Cyanophyceae","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":473,"name":"Oscillatoriales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1150},{"id":474,"name":"Oscillatoriaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1892254}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1002/anie.201902571","structure_smiles":"COC1=CC(=O)OC(CC2CC(OC)C(C)C(O)(CNC(=O)CCC=C[C@H](C)CCC(=CCl)CCCC#CBr)O2)C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002296"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005436463%Vatiamide D%3"},{"external_db_name":"npmrd","external_db_code":"NP0019722"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000086","name":"Pyrans","chemont_id":"CHEMONTID:0000086","description":"Compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and  two ring double bonds."},"smiles":"COC1CC(CC2CC(OC)=CC(=O)O2)OC(O)(CN=C(O)CCC=C[C@H](C)CCC(CCCC#CBr)=CCl)C1C","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=MUWOPMUWBVOVID-XPKNVKJBSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000481","name":"Pyranones and derivatives","chemont_id":"CHEMONTID:0000481","description":"Compounds containing a pyran ring which bears a ketone."},"ancestors":["Alpha,beta-unsaturated carboxylic esters","Carbonyl compounds","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Chloroalkenes","Dialkyl ethers","Dihydropyranones","Enoate esters","Ethers","Haloacetylenes and derivatives","Haloalkenes","Hemiacetals","Hydrocarbon derivatives","Lactones","Monocarboxylic acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organobromides","Organochlorides","Organohalogen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxanes","Propargyl-type 1,3-dipolar organic compounds","Pyranones and derivatives","Pyrans","Vinyl chlorides","Vinyl halides","Vinylogous esters"],"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 dihydropyranones. 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