{"id":12566,"npaid":"NPA012566","original_name":"Radiosumin B","mol_formula":"C23H32N4O5","mol_weight":"444.5320","exact_mass":"444.2373","inchikey":"DXOBDIZQMJWEAT-BMPSSULNSA-N","smiles":"CC(=O)N[C@@H]1CC/C(=C\\[C@@H](C(=O)O)NC(=O)[C@H](/C=C/2\\CC[C@H](C=C2)NC)NC(=O)C)/C=C1","cluster_id":3703,"node_id":2785,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C23H32N4O5/c1-14(28)25-19-10-6-17(7-11-19)13-21(23(31)32)27-22(30)20(26-15(2)29)12-16-4-8-18(24-3)9-5-16/h4,6,8,10,12-13,18-21,24H,5,7,9,11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)(H,31,32)/b16-12-,17-13-/t18-,19-,20-,21-/m0/s1","m_plus_h":"445.2446","m_plus_na":"467.2265","origin_reference":{"doi":"10.1021/np000511z","pmid":11374973,"authors":"Coleman, John E.; Wright, Jeffrey L.C.","title":"Radiosumin B, an unusual dipeptide from the cyanobacterium Microcystis aeruginosa","journal":"Journal of Natural Products","year":2001,"volume":"64","issue":"5","pages":"668-670"},"origin_organism":{"id":237,"type":"Bacterium","genus":"Microcystis","species":"aeruginosa","taxon":{"id":472,"name":"Microcystis","rank":"genus","taxon_db":"lpsn","external_id":"0","ncbi_id":1125,"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":466,"name":"Chroococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":1118},{"id":471,"name":"Microcystaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1890449}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np000511z","structure_smiles":"CC(=O)N[C@@H]1CC/C(=C\\[C@@H](C(=O)O)NC(=O)[C@H](/C=C/2\\CC[C@H](C=C2)NC)NC(=O)C)/C=C1","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0003691"}],"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":"CN[C@@H]1CC\\C(=C/[C@H](NC(C)=O)C(=O)N[C@@H](\\C=C2/CC[C@@H](NC(C)=O)C=C2)C(O)=O)C=C1","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=DXOBDIZQMJWEAT-BMPSSULNSA-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":["Acetamides","Alpha amino acid amides","Alpha amino acids and derivatives","Amines","Amino acids","Amino acids and derivatives","Amino acids, peptides, and analogues","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkylamines","Dipeptides","Hydrocarbon derivatives","Monocarboxylic acids and derivatives","N-acyl-L-alpha-amino acids","N-acyl-alpha amino acids","N-acyl-alpha amino acids and derivatives","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Peptides","Secondary amines","Secondary carboxylic acid amides"],"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 dipeptides. 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