{"id":6265,"npaid":"NPA006265","original_name":"Cyanogramide","mol_formula":"C24H21N3O4","mol_weight":"415.4490","exact_mass":"415.1532","inchikey":"PLQBGVIHNRFEKK-FGTQWKHKSA-N","smiles":"C[C@@]1(N(C(=O)C2=C[C@]3(C4=CC=CC=C4N(C3=O)C)C(=O)N21)/C=C/C5=CC=CC=C5)OC","cluster_id":2937,"node_id":2256,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C24H21N3O4/c1-23(31-3)26(14-13-16-9-5-4-6-10-16)20(28)19-15-24(22(30)27(19)23)17-11-7-8-12-18(17)25(2)21(24)29/h4-15H,1-3H3/b14-13+/t23-,24+/m0/s1","m_plus_h":"416.1605","m_plus_na":"438.1424","origin_reference":{"doi":"10.1021/ol501523d","pmid":24968070,"authors":"Fu, Peng; Kong, Fandong; Li, Xia; Wang, Yi; Zhu, Weiming","title":"Cyanogramide with a new spiro[indolinone-pyrroloimidazole] skeleton from Actinoalloteichus cyanogriseus","journal":"Organic Letters","year":2014,"volume":"16","issue":"14","pages":"3708-3711"},"origin_organism":{"id":1920,"type":"Bacterium","genus":"Actinoalloteichus","species":"cyanogriseus WH1-2216-6","taxon":{"id":226,"name":"Actinoalloteichus","rank":"genus","taxon_db":"lpsn","external_id":"515028","ncbi_id":65496,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":203,"name":"Actinobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":201174},{"id":204,"name":"Actinobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":null},{"id":224,"name":"Pseudonocardiales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85010},{"id":225,"name":"Pseudonocardiaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2070}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/ol501523d","structure_smiles":"C[C@@]1(N(C(=O)C2=C[C@]3(C4=CC=CC=C4N(C3=O)C)C(=O)N21)/C=C/C5=CC=CC=C5)OC","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002347"},{"external_db_name":"npmrd","external_db_code":"NP0012988"}],"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":"CO[C@@]1(C)N(\\C=C\\C2=CC=CC=C2)C(=O)C2=C[C@@]3(C(=O)N(C)C4=CC=CC=C34)C(=O)N12","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=PLQBGVIHNRFEKK-FGTQWKHKSA-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":["Alpha amino acids and derivatives","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Azolidines","Benzene and substituted derivatives","Benzenoids","Carbonyl compounds","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Hydrocarbon derivatives","Imidazolidines","Imidazolidinones","Indoles and derivatives","Lactams","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Orthocarboxylic acid derivatives","Pyrrolines","Styrenes","Tertiary 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 alpha amino acids and derivatives. 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