{"id":25671,"npaid":"NPA025671","original_name":"Vatiamide B","mol_formula":"C28H37BrClNO4","mol_weight":"566.9640","exact_mass":"565.1594","inchikey":"HCSFEHTYSRHQQW-NVQXNPDNSA-N","smiles":"COC(=O)[C@H](CC1=CC=C(OC)C=C1)N(C)C(=O)CCC=C[C@H](C)CCC(=CCl)CCCC#CBr","cluster_id":7762,"node_id":5290,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C28H37BrClNO4/c1-22(13-14-24(21-30)11-6-5-9-19-29)10-7-8-12-27(32)31(2)26(28(33)35-4)20-23-15-17-25(34-3)18-16-23/h7,10,15-18,21-22,26H,5-6,8,11-14,20H2,1-4H3/t22-,26-/m0/s1","m_plus_h":"566.1667","m_plus_na":"588.1486","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":"COC(=O)[C@H](CC1=CC=C(OC)C=C1)N(C)C(=O)CCC=C[C@H](C)CCC(=CCl)CCCC#CBr","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002296"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005436466%Vatiamide B%3"},{"external_db_name":"npmrd","external_db_code":"NP0019720"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000265","name":"Carboxylic acids and derivatives","chemont_id":"CHEMONTID:0000265","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."},"smiles":"COC(=O)[C@H](Cc1ccc(OC)cc1)N(C)C(=O)CCC=C[C@H](C)CCC(CCCC#CBr)=CCl","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=HCSFEHTYSRHQQW-NVQXNPDNSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000013","name":"Amino acids, peptides, and analogues","chemont_id":"CHEMONTID:0000013","description":"Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."},"ancestors":["Alkyl aryl ethers","Alpha amino acid esters","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Amphetamines and derivatives","Anisoles","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids and derivatives","Chemical entities","Chloroalkenes","Ethers","Fatty Acyls","Fatty acid esters","Fatty amides","Haloacetylenes and derivatives","Haloalkenes","Hydrocarbon derivatives","Lipids and lipid-like molecules","Methoxybenzenes","Methyl esters","Monocarboxylic acids and derivatives","N-acyl amines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organobromides","Organochlorides","Organohalogen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Phenethylamines","Phenol ethers","Phenoxy compounds","Phenylalanine and derivatives","Tertiary carboxylic acid amides","Vinyl chlorides","Vinyl halides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000264","name":"Organic acids and derivatives","chemont_id":"CHEMONTID:0000264","description":"Compounds an organic acid or a derivative thereof."},"description":"This compound belongs to the class of organic compounds known as phenylalanine and derivatives. 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