{"PropertyTable":{"Properties":[{"CID":6473881,"MolecularFormula":"C15H20O3","MolecularWeight":"248.32","SMILES":"C/C/1=C\\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C","ConnectivitySMILES":"CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C","InChI":"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1","InChIKey":"KTEXNACQROZXEV-SLXBATTESA-N","ExactMass":"248.14124450","MonoisotopicMass":"248.14124450","TPSA":38.8,"Charge":0,"HBondDonorCount":0,"HBondAcceptorCount":3,"RotatableBondCount":0,"HeavyAtomCount":18,"Title":"Parthenolide"}]}}