{"id":33125,"npaid":"NPA033125","original_name":"Stieleriacine B2","mol_formula":"C22H33NO4","mol_weight":"375.5090","exact_mass":"375.2410","inchikey":"WJODOJHXITXKOU-KNTRCKAVSA-N","smiles":"CCCCCCCCCCCC(=O)N/C(=C/C1=CC(C)=C(O)C=C1)C(=O)O","cluster_id":6765,"node_id":914,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H33NO4/c1-3-4-5-6-7-8-9-10-11-12-21(25)23-19(22(26)27)16-18-13-14-20(24)17(2)15-18/h13-16,24H,3-12H2,1-2H3,(H,23,25)(H,26,27)/b19-16+","m_plus_h":"376.2483","m_plus_na":"398.2302","origin_reference":{"doi":"10.1038/s42003-020-0993-2","pmid":32533057,"authors":"Kallscheuer, Nicolai; Jeske, Olga; Sandargo, Birthe; Boedeker, Christian; Wiegand, Sandra; Bartling, Pascal; Jogler, Mareike; Rohde, Manfred; Petersen, Jörn; Medema, Marnix H.; Surup, Frank; Jogler, Christian","title":"The planctomycete Stieleria maiorica Mal15T employs stieleriacines to alter the species composition in marine biofilms","journal":"Communications Biology","year":2020,"volume":"3","issue":"1","pages":"None"},"origin_organism":{"id":10715,"type":"Bacterium","genus":"Stieleria","species":"maiorica Mal15T","taxon":{"id":1926,"name":"Stieleria","rank":"genus","taxon_db":"lpsn","external_id":"17604","ncbi_id":null,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":1922,"name":"Planctomycetota","rank":"phylum","taxon_db":"lpsn","external_id":" 25892","ncbi_id":null},{"id":1923,"name":"Planctomycetia","rank":"class","taxon_db":"lpsn","external_id":"11159","ncbi_id":null},{"id":1924,"name":"Pirellulales","rank":"order","taxon_db":"lpsn","external_id":"749","ncbi_id":null},{"id":1925,"name":"Pirellulaceae","rank":"family","taxon_db":"lpsn","external_id":"7783","ncbi_id":null}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1038/s42003-020-0993-2","structure_smiles":"CCCCCCCCCCCC(=O)N/C(=C/C1=CC(C)=C(O)C=C1)C(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002080"}],"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":"CCCCCCCCCCCC(O)=N\\C(=C\\c1ccc(O)c(C)c1)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=WJODOJHXITXKOU-KNTRCKAVSA-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":["1-hydroxy-2-unsubstituted benzenoids","Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Benzene and substituted derivatives","Benzenoids","Carboximidic acids","Carboximidic acids and derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Cresols","Fatty Acyls","Fatty acids and conjugates","Hydrocarbon derivatives","Hydroxy fatty acids","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","Organic 1,3-dipolar compounds","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Ortho cresols","Phenols","Propargyl-type 1,3-dipolar organic compounds","Unsaturated fatty acids"],"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 n-acyl-alpha amino acids. 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