{"id":12274,"npaid":"NPA012274","original_name":"Marineosin B","mol_formula":"C25H35N3O2","mol_weight":"409.5740","exact_mass":"409.2729","inchikey":"JPTGQNMDWMSVSF-XOLQFJJLSA-N","smiles":"C[C@H]1C[C@@H]2CCCCCCCC3=CC=C([C@H]2[C@]4(O1)[C@H](CC(=N4)C5=CC=CN5)OC)N3","cluster_id":4630,"node_id":3371,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C25H35N3O2/c1-17-15-18-9-6-4-3-5-7-10-19-12-13-21(27-19)24(18)25(30-17)23(29-2)16-22(28-25)20-11-8-14-26-20/h8,11-14,17-18,23-24,26-27H,3-7,9-10,15-16H2,1-2H3/t17-,18-,23-,24-,25+/m0/s1","m_plus_h":"410.2802","m_plus_na":"432.2621","origin_reference":{"doi":"10.1021/ja411544w","pmid":24575817,"authors":"Salem, Shaimaa M.; Kancharla, Papireddy; Florova, Galina; Gupta, Shweta; Lu, Wanli; Reynolds, Kevin A.","title":"Elucidation of final steps of the marineosins biosynthetic pathway through identification and characterization of the corresponding gene cluster","journal":"Journal of the American Chemical Society","year":2014,"volume":"136","issue":"12","pages":"4565-4574"},"origin_organism":{"id":4443,"type":"Bacterium","genus":"Streptomyces","species":"sp. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aromatic heteropolycyclic compounds","external_descriptors":[{"source":"CHEBI","source_id":"CHEBI:66677","annotations":["ether","pyrroles","macrocycle","azaspiro compound","oxaspiro compound"]}],"predicted_chebi_terms":["pyrroles (CHEBI:26455)","pyrroline (CHEBI:23763)","organic aromatic compound (CHEBI:33659)","ketimine (CHEBI:33272)","dipolar compound (CHEBI:51151)","oxacycle (CHEBI:38104)","ether (CHEBI:25698)","organonitrogen heterocyclic compound (CHEBI:38101)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organic molecule (CHEBI:72695)","oxanes (CHEBI:46942)","chemical entity (CHEBI:24431)","organic heterocyclic compound (CHEBI:24532)","nitrogen molecular entity (CHEBI:51143)","organonitrogen compound (CHEBI:35352)","imine (CHEBI:24783)","oxygen molecular entity (CHEBI:25806)","organooxygen compound (CHEBI:36963)"],"classification_version":"2.1","predicted_lipidmaps_terms":[]},"npclassifier":{"isglycoside":false,"class_results":[],"pathway_results":["Alkaloids"],"superclass_results":[]}}