{"id":31551,"npaid":"NPA031551","original_name":"Cyanogramide C","mol_formula":"C24H23N3O3","mol_weight":"401.4660","exact_mass":"401.1739","inchikey":"HJEQLHSAFDJJPU-UHFFFAOYSA-N","smiles":"COC1(C)N(CCC2=CC=CC=C2)C(=O)C2=CC3=C(C(=O)N21)N(C)C1=CC=CC=C31","cluster_id":8666,"node_id":2256,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C24H23N3O3/c1-24(30-3)26(14-13-16-9-5-4-6-10-16)22(28)20-15-18-17-11-7-8-12-19(17)25(2)21(18)23(29)27(20)24/h4-12,15H,13-14H2,1-3H3","m_plus_h":"402.1812","m_plus_na":"424.1631","origin_reference":{"doi":"10.1002/anie.202004978","pmid":32329169,"authors":"Zhu, Yiguang; Zhang, Qingbo; Fang, Chunyan; Zhang, Yingli; Ma, Liang; Liu, Zhiwen; Zhai, Shilan; Peng, Jing; Zhang, Liping; Zhu, Weiming; Zhang, Changsheng","title":"Refactoring the Concise Biosynthetic Pathway of Cyanogramide Unveils Spirooxindole Formation Catalyzed by a P450 Enzyme.","journal":"Angewandte Chemie International Edition","year":2020,"volume":"59","issue":"33","pages":"14065-14069"},"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":"10.1002/anie.202004978","structure_smiles":"COC1(C)N(CCC2=CC=CC=C2)C(=O)C2=CC3=C(C(=O)N21)N(C)C1=CC=CC=C31","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002347"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000211","name":"Indoles and derivatives","chemont_id":"CHEMONTID:0000211","description":"Organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring."},"smiles":"COC1(C)N(CCc2ccccc2)C(=O)c2cc3c4ccccc4n(C)c3c(=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=HJEQLHSAFDJJPU-UHFFFAOYSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001213","name":"Pyridoindoles","chemont_id":"CHEMONTID:0001213","description":"Compounds containing a pyridoindole, which consists of a pyridine fused to an indole. 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