{"id":32831,"npaid":"NPA032831","original_name":"Variobactin B","mol_formula":"C45H79N11O17","mol_weight":"1046.1870","exact_mass":"1045.5655","inchikey":"VZLKLSFDPFHEHA-UHFFFAOYSA-N","smiles":"CCCCCCCCCC(=O)NC(CCCN(O)C(C)=O)C1OC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCNC(N)=O)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(C(O)C(=O)O)NC(=O)C1C","cluster_id":9486,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C45H79N11O17/c1-5-6-7-8-9-10-11-20-34(60)49-29(18-14-23-55(71)27(3)58)37-26(2)38(62)54-35(36(61)43(67)68)42(66)53-33(25-57)41(65)51-30(16-12-21-46)39(63)50-31(17-13-22-48-45(47)70)40(64)52-32(44(69)73-37)19-15-24-56(72)28(4)59/h26,29-33,35-37,57,61,71-72H,5-25,46H2,1-4H3,(H,49,60)(H,50,63)(H,51,65)(H,52,64)(H,53,66)(H,54,62)(H,67,68)(H3,47,48,70)","m_plus_h":"1046.5728","m_plus_na":"1068.5547","origin_reference":{"doi":"10.1038/ncomms9421","pmid":26412281,"authors":"Johnston, Chad W.; Skinnider, Michael A.; Wyatt, Morgan A.; Li, Xiang; Ranieri, Michael R. M.; Yang, Lian; Zechel, David L.; Ma, Bin; Magarvey, Nathan A.","title":"An automated Genomes-to-Natural Products platform (GNP) for the discovery of modular natural products","journal":"Nature Communications","year":2015,"volume":"6","issue":"None","pages":"None"},"origin_organism":{"id":10642,"type":"Bacterium","genus":"Variovorax","species":"paradoxus S110","taxon":{"id":69,"name":"Variovorax","rank":"genus","taxon_db":"lpsn","external_id":"516892","ncbi_id":34072,"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":50,"name":"Betaproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":28216},{"id":51,"name":"Burkholderiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":80840},{"id":64,"name":"Comamonadaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":80864}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1038/ncomms9421","structure_smiles":"CCCCCCCCCC(=O)NC(CCCN(O)C(C)=O)C1OC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCNC(N)=O)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(C(O)C(=O)O)NC(=O)C1C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002416"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001813","name":"Peptidomimetics","chemont_id":"CHEMONTID:0001813","description":"Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."},"smiles":"CCCCCCCCCC(=O)NC(CCCN(O)C(C)=O)C1OC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCNC(N)=O)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C1C)C(O)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=VZLKLSFDPFHEHA-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001961","name":"Depsipeptides","chemont_id":"CHEMONTID:0001961","description":"Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating."},"ancestors":["Acetamides","Acetohydroxamic acids","Alcohols and polyols","Alpha amino acid amides","Alpha amino acid esters","Alpha amino acids and derivatives","Alpha hydroxy acids and derivatives","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives","Azacyclic compounds","Branched fatty acids","Carbohydrates and carbohydrate conjugates","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acid esters","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cyclic depsipeptides","Depsipeptides","Dicarboxylic acids and derivatives","Fatty Acyls","Fatty acid esters","Fatty acids and conjugates","Fatty amides","Heterocyclic fatty acids","Hydrocarbon derivatives","Hydroxamic acids","Hydroxy acids and derivatives","Hydroxy fatty acids","Lactams","Lactones","Lipids and lipid-like molecules","Macrolactams","Macrolide lactams","Monoalkylamines","Monosaccharides","N-acyl amines","N-acyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic carbonic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Peptidomimetics","Phenylpropanoids and polyketides","Primary amines","Primary carboxylic acid amides","Secondary alcohols","Serine and derivatives"],"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 cyclic depsipeptides. 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