{"id":27423,"npaid":"NPA027423","original_name":"Nocuolin A","mol_formula":"C16H30N2O3","mol_weight":"298.4270","exact_mass":"298.2256","inchikey":"MPGIDXBHXRMMSY-UHFFFAOYSA-N","smiles":"CCCCCC1=NN(C(=O)CCO)OC(CCCCC)C1","cluster_id":8267,"node_id":5617,"has_exclusions":false,"synonyms":[{"reference_doi":"10.1371/journal.pone.0172850","name":"NocA"}],"inchi":"InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3","m_plus_h":"299.2329","m_plus_na":"321.2148","origin_reference":{"doi":"10.1371/journal.pone.0172850","pmid":28253280,"authors":"Voráčová K; Hájek J; Mareš J; Urajová P; Kuzma M; Cheel J; Villunger A; Kapuscik A; Bally M; Novák P; Kabeláč M; Krumschnabel G; Lukeš M; Voloshko L; Kopecký J; Hrouzek P","title":"The cyanobacterial metabolite nocuolin a is a natural oxadiazine that triggers apoptosis in human cancer cells.","journal":"PLoS One","year":2017,"volume":"12","issue":"3","pages":"e0172850"},"origin_organism":{"id":9704,"type":"Bacterium","genus":"Nostoc","species":"sp. 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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/C0000278","name":"Organonitrogen compounds","chemont_id":"CHEMONTID:0000278","description":"Organic compounds containing a nitrogen atom."},{"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 heteromonocyclic compounds","external_descriptors":[],"predicted_chebi_terms":["oxacycle (CHEBI:38104)","organonitrogen heterocyclic compound (CHEBI:38101)","primary alcohol (CHEBI:15734)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","carbonyl compound (CHEBI:36586)","organooxygen compound (CHEBI:36963)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","oxygen molecular entity (CHEBI:25806)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","nitrogen molecular entity (CHEBI:51143)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":[],"superclass_results":[]}}