{"id":11630,"npaid":"NPA011630","original_name":"Squalestatin S1","mol_formula":"C35H46O13","mol_weight":"674.7400","exact_mass":"674.2938","inchikey":"KKQOCSPYLTUDES-KVBVMKTNSA-N","smiles":"CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1C[C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C","cluster_id":105,"node_id":100,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C35H46O13/c1-7-20(2)17-21(3)13-14-27(37)46-26-19-33(47-29(30(38)39)34(44,31(40)41)35(26,48-33)32(42)43)16-15-22(4)28(45-24(6)36)23(5)18-25-11-9-8-10-12-25/h8-14,20-21,23,26,28-29,44H,4,7,15-19H2,1-3,5-6H3,(H,38,39)(H,40,41)(H,42,43)/b14-13+/t20-,21+,23+,26+,28+,29+,33-,34+,35-/m0/s1","m_plus_h":"675.3011","m_plus_na":"697.2830","origin_reference":{"doi":"10.7164/antibiotics.47.740","pmid":8071119,"authors":"Blows; Foster; Lane; Noble; Piercey; Sidebottom; Webb","title":"The squalestatins, novel inhibitors of squalene synthase produced by a species of Phoma. V. Minor metabolites","journal":"Journal of Antibiotics","year":1994,"volume":"47","issue":"7","pages":"740-754"},"origin_organism":{"id":300,"type":"Fungus","genus":"Phoma","species":"sp. 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