{"id":21662,"npaid":"NPA021662","original_name":"Aurachin SS","mol_formula":"C21H27NO2","mol_weight":"325.4520","exact_mass":"325.2042","inchikey":"HWBJYDDVFLLLIR-DTQAZKPQSA-N","smiles":"CC1=[N+](C2=CC=CC=C2C(=C1C/C=C(\\C)/CCC=C(C)C)OC)[O-]","cluster_id":5993,"node_id":4200,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C21H27NO2/c1-15(2)9-8-10-16(3)13-14-18-17(4)22(23)20-12-7-6-11-19(20)21(18)24-5/h6-7,9,11-13H,8,10,14H2,1-5H3/b16-13+","m_plus_h":"326.2115","m_plus_na":"348.1934","origin_reference":{"doi":"10.1038/ja.2017.50","pmid":28420868,"authors":"Zhang, Mei; Yang, Cheng Long; Xiao, Yong Sheng; Zhang, Bo; Deng, Xin Zhao; Yang, Li; Shi, Jing; Wang, Yi Shuang; Li, Wei; Jiao, Rui Hua; Tan, Ren Xiang; Ge, Hui Ming","title":"Aurachin SS, a new antibiotic from Streptomyces sp. NA04227","journal":"Journal of Antibiotics","year":2017,"volume":"70","issue":"7","pages":"853-855"},"origin_organism":{"id":6781,"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":[],"predicted_chebi_terms":["monoterpenoid (CHEBI:25409)","methylpyridines (CHEBI:25340)","aromatic ether (CHEBI:35618)","benzenoid aromatic compound (CHEBI:33836)","organic aromatic compound (CHEBI:33659)","organonitrogen heterocyclic compound (CHEBI:38101)","pnictogen molecular entity (CHEBI:33302)","organic molecular entity (CHEBI:50860)","organonitrogen compound (CHEBI:35352)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","quinolines (CHEBI:26513)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","ether lipid (CHEBI:64611)","organic heterocyclic compound (CHEBI:24532)","pyridines (CHEBI:26421)","oxygen molecular entity (CHEBI:25806)","organooxygen compound (CHEBI:36963)","ether (CHEBI:25698)","nitrogen molecular entity (CHEBI:51143)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Bicyclic monoterpenoids (PR010212)","C10 isoprenoids (monoterpenes) (PR0102)","Prenol Lipids (PR)"]},"npclassifier":{"isglycoside":false,"class_results":["Quinoline alkaloids"],"pathway_results":["Alkaloids"],"superclass_results":["Tryptophan alkaloids","Anthranilic acid alkaloids"]}}