{"id":1599,"npaid":"NPA001599","original_name":"Limazepine F","mol_formula":"C14H16N2O2","mol_weight":"244.2940","exact_mass":"244.1212","inchikey":"ULQQQQMOGBDJEB-PHVGEZJSSA-N","smiles":"C/C=C/1\\C[C@H]2[C@H](NC3=CC=CC=C3C(=O)N2C1)O","cluster_id":1033,"node_id":891,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C14H16N2O2/c1-2-9-7-12-13(17)15-11-6-4-3-5-10(11)14(18)16(12)8-9/h2-6,12-13,15,17H,7-8H2,1H3/b9-2+/t12-,13+/m0/s1","m_plus_h":"245.1285","m_plus_na":"267.1104","origin_reference":{"doi":"10.1021/np800827w","pmid":19388705,"authors":"Fotso, Serge; Zabriskie, T. Mark; Proteau, Philip J.; Flatt, Patricia M.; Santosa, Dwi Andreas; Sulastri; Mahmud, Taifo","title":"Limazepines A-F, pyrrolo[1,4]benzodiazepine antibiotics from an Indonesian Micrococcus sp","journal":"Journal of Natural Products","year":2009,"volume":"72","issue":"4","pages":"690-695"},"origin_organism":{"id":1163,"type":"Bacterium","genus":"Micrococcus","species":"sp ICBB 8177","taxon":{"id":290,"name":"Micrococcus","rank":"genus","taxon_db":"lpsn","external_id":"516085","ncbi_id":1269,"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":285,"name":"Micrococcales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85006},{"id":286,"name":"Micrococcaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":1268}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/np800827w","structure_smiles":"C/C=C/1\\C[C@H]2[C@H](NC3=CC=CC=C3C(=O)N2C1)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0001652"},{"external_db_name":"npmrd","external_db_code":"NP0008466"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000295","name":"Benzodiazepines","chemont_id":"CHEMONTID:0000295","description":"Organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms)."},"smiles":"C\\C=C1/C[C@H]2[C@@H](O)NC3=CC=CC=C3C(=O)N2C1","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=ULQQQQMOGBDJEB-PHVGEZJSSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004097","name":"1,4-benzodiazepines","chemont_id":"CHEMONTID:0004097","description":"Organic compounds containing a benzene ring fused to a 1,4-azepine."},"ancestors":["1,4-benzodiazepines","Alkanolamines","Amines","Amino acids and derivatives","Amino acids, peptides, and analogues","Azacyclic compounds","Benzenoids","Benzodiazepines","Carboxylic acid amides","Carboxylic acid derivatives","Carboxylic acids and derivatives","Chemical entities","Hydrocarbon derivatives","Lactams","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Pyrrolidines","Secondary alkylarylamines","Secondary amines","Tertiary amines","Tertiary carboxylic acid amides","Vinylogous amides"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000002","name":"Organoheterocyclic compounds","chemont_id":"CHEMONTID:0000002","description":"Compounds containing a ring with least one carbon atom and one non-carbon atom."},"description":"This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["secondary amine (CHEBI:32863)","benzenoid aromatic compound (CHEBI:33836)","enone (CHEBI:51689)","enamine (CHEBI:47989)","carboxamide (CHEBI:37622)","pyrrolidines (CHEBI:38260)","tertiary amine (CHEBI:32876)","lactam (CHEBI:24995)","organonitrogen compound (CHEBI:35352)","organooxygen compound (CHEBI:36963)","organonitrogen heterocyclic compound (CHEBI:38101)","amino alcohol (CHEBI:22478)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","benzodiazepine (CHEBI:22720)","chemical entity (CHEBI:24431)","nitrogen molecular entity (CHEBI:51143)","organic molecular entity (CHEBI:50860)","amine (CHEBI:32952)","organic acid (CHEBI:64709)","carboxylic acid (CHEBI:33575)","amide (CHEBI:32988)","organic heterocyclic compound (CHEBI:24532)","carbonyl compound (CHEBI:36586)","oxygen molecular entity (CHEBI:25806)","amino acid (CHEBI:33709)","peptide (CHEBI:16670)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":["Benzodiazepine alkaloids"],"pathway_results":["Alkaloids"],"superclass_results":["Anthranilic acid alkaloids"]}}