{"id":9644,"npaid":"NPA009644","original_name":"Enterocin","mol_formula":"C22H20O10","mol_weight":"444.3920","exact_mass":"444.1056","inchikey":"CTBBEXWJRAPJIZ-AEQBLBADSA-N","smiles":"COC1=CC(=O)OC([C@@H]2[C@]3(O)[C@@H](O)[C@@H]4C[C@@]2(O)[C@@](O)(C(=O)O4)[C@H]3C(=O)C2=CC=CC=C2)=C1","cluster_id":1505,"node_id":1237,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C22H20O10/c1-30-11-7-12(31-14(23)8-11)16-20(27)9-13-18(25)21(16,28)17(22(20,29)19(26)32-13)15(24)10-5-3-2-4-6-10/h2-8,13,16-18,25,27-29H,9H2,1H3/t13-,16-,17-,18-,20-,21+,22-/m0/s1","m_plus_h":"445.1129","m_plus_na":"467.0948","origin_reference":{"doi":"10.1002/mrc.4384","pmid":26768306,"authors":"Reibarkh, Mikhail; Wyche, Thomas p; Saurí, Josep; Bugni, Tim s; Martin, Gary e; Williamson, R thomas","title":"Structure elucidation of uniformly 13C labeled small molecule natural products","journal":"Magnetic Resonance in Chemistry","year":2015,"volume":"53","issue":"12","pages":"i"},"origin_organism":{"id":3909,"type":"Bacterium","genus":"Streptomyces","species":"sp. 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