{"id":16501,"npaid":"NPA016501","original_name":"Fredericamycin A","mol_formula":"C30H21NO9","mol_weight":"539.4960","exact_mass":"539.1216","inchikey":"NJLAGDPRCAPJIF-MHSJTTIKSA-N","smiles":"C/C=C/C=C/C1=CC2=CC3=C(C(=C2C(=O)N1)O)[C@@]4(CC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O","cluster_id":3558,"node_id":1016,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C30H21NO9/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33/h3-6,9-11,36-38H,7-8H2,1-2H3,(H,31,39)/b4-3+,6-5+/t30-/m0/s1","m_plus_h":"540.1289","m_plus_na":"562.1108","origin_reference":{"doi":"10.7164/antibiotics.34.1389","pmid":6798004,"authors":"Pandey, R C; Toussaint, M W; Stroshane, R M; Kalita, C C; Aszalos, A A; Garretson, A L; Wei, T T; Byrne, K M; Geoghegan, R F; White, R J","title":"Fredericamycin A, a new antitumor antibiotic. I. 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