{"id":14540,"npaid":"NPA014540","original_name":"Ferrocin B","mol_formula":"C51H84FeN13O19","mol_weight":"1239.1500","exact_mass":"1238.5356","inchikey":"NAGWAVXPMGJERZ-TUFURUPOSA-N","smiles":"CCCCCC/C=C\\CC(=O)N[C@H]1COC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NCC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)C(NC1=O)CCCN(C(=O)C)[O-])C(C)C)CO)CCCN(C(=O)C)[O-])CO)CCCN(C(=O)C)[O-].[Fe+3]","cluster_id":5177,"node_id":141,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C51H84N13O19.Fe/c1-7-8-9-10-11-12-13-20-41(70)58-40-30-83-44(73)27-55-46(74)36(18-15-22-63(81)33(5)68)57-42(71)25-54-48(76)38(28-65)52-24-35(17-14-21-62(80)32(4)67)56-49(77)39(29-66)60-51(79)45(31(2)3)61-43(72)26-53-47(75)37(59-50(40)78)19-16-23-64(82)34(6)69;/h12-13,31,35-40,45,52,65-66H,7-11,14-30H2,1-6H3,(H,53,75)(H,54,76)(H,55,74)(H,56,77)(H,57,71)(H,58,70)(H,59,78)(H,60,79)(H,61,72);/q-3;+3/b13-12-;/t35?,36?,37?,38-,39-,40-,45+;/m0./s1","m_plus_h":"1239.5429","m_plus_na":"1261.5248","origin_reference":{"doi":"10.7164/antibiotics.46.287","pmid":8468244,"authors":"Tsubotani; Katayama; Funabashi; Ono; Harada","title":"Ferrocins, a new iron-containing peptide antibiotics produced by bacteria. 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