{"id":25088,"npaid":"NPA025088","original_name":"Camporidine B","mol_formula":"C18H25NO4","mol_weight":"319.4010","exact_mass":"319.1784","inchikey":"HEOCGAUXAHXHLX-XSJMJMTMSA-N","smiles":"CCCCCC[C@H]1CN([C@H]2C=CC(=C/C=C/C(=O)O)[C@@]23[C@@H]1O3)O","cluster_id":3808,"node_id":2854,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H25NO4/c1-2-3-4-5-7-13-12-19(22)15-11-10-14(8-6-9-16(20)21)18(15)17(13)23-18/h6,8-11,13,15,17,22H,2-5,7,12H2,1H3,(H,20,21)/b9-6+,14-8?/t13-,15-,17+,18-/m0/s1","m_plus_h":"320.1857","m_plus_na":"342.1676","origin_reference":{"doi":"10.1021/acs.jnatprod.8b01000","pmid":30912943,"authors":"Hong SH; Ban YH; Byun WS; Kim D; Jang YJ; An JS; Shin B; Lee SK; Shin J; Yoon YJ; Oh DC","title":"Camporidines A and B: Antimetastatic and Anti-inflammatory Polyketide Alkaloids from a Gut Bacterium of Camponotus kiusiuensis.","journal":"Journal of Natural Products","year":2019,"volume":"82","issue":"4","pages":"903-910"},"origin_organism":{"id":9015,"type":"Bacterium","genus":"Streptomyces","species":"sp. STA1","taxon":{"id":283,"name":"Streptomyces","rank":"genus","taxon_db":"lpsn","external_id":"517119","ncbi_id":1883,"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":275,"name":"Streptomycetales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":85011},{"id":276,"name":"Streptomycetaceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":2062}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/acs.jnatprod.8b01000","structure_smiles":"CCCCCC[C@H]1CN([C@H]2C=CC(=C/C=C/C(=O)O)[C@@]23[C@@H]1O3)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"mibig","external_db_code":"BGC0002308"},{"external_db_name":"npmrd","external_db_code":"NP0019429"},{"external_db_name":"npmrd","external_db_code":"NP0286607"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002530","name":"Epoxypiperidines","chemont_id":"CHEMONTID:0002530","description":"Heteropolycyclic compounds containing an oxirane fused to a piperidine ring."},"smiles":"[H]\\C(=C(\\[H])C(O)=O)C([H])=C1C=C[C@]2([H])N(O)C[C@]([H])(CCCCCC)[C@@]3([H])O[C@@]123","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=HEOCGAUXAHXHLX-XSJMJMTMSA-N","subclass":null,"ancestors":["1,4-oxazepines","Azacyclic compounds","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Dialkyl ethers","Epoxides","Epoxypiperidines","Ethers","Fatty Acyls","Fatty acids and conjugates","Heterocyclic fatty acids","Hydrocarbon derivatives","Lipids and lipid-like molecules","Monocarboxylic acids and derivatives","N-organohydroxylamines","Organic acids and derivatives","Organic compounds","Organic nitrogen compounds","Organic oxides","Organic oxygen compounds","Organoheterocyclic compounds","Organonitrogen compounds","Organooxygen compounds","Organopnictogen compounds","Oxacyclic compounds","Oxazepines","Piperidines","Unsaturated fatty acids"],"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 epoxypiperidines. 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Pnictogens are p-block element atoms that are in the group 15 of the periodic table."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001831","name":"Carbonyl compounds","chemont_id":"CHEMONTID:0001831","description":"Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["heterocyclic fatty acid (CHEBI:48847)","oxacycle (CHEBI:38104)","organonitrogen heterocyclic compound (CHEBI:38101)","unsaturated fatty acid (CHEBI:27208)","piperidines (CHEBI:26151)","hydroxylamines (CHEBI:24709)","carbonyl compound (CHEBI:36586)","epoxide (CHEBI:32955)","ether (CHEBI:25698)","carboxylic acid (CHEBI:33575)","carboxylic acid anion (CHEBI:29067)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","organooxygen compound (CHEBI:36963)","monocarboxylic acid (CHEBI:25384)","organic heterocyclic compound (CHEBI:24532)","nitrogen molecular entity (CHEBI:51143)","organonitrogen compound (CHEBI:35352)","oxygen molecular entity (CHEBI:25806)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Heterocyclic fatty acids (FA0115)","Unsaturated fatty acids (FA0103)","Fatty Acyls (FA)","Fatty Acids and Conjugates (FA01)"]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":[],"superclass_results":[]}}