{"PropertyTable":{"Properties":[{"CID":3220,"MolecularFormula":"C15H10O5","MolecularWeight":"270.24","SMILES":"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O","ConnectivitySMILES":"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O","InChI":"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3","InChIKey":"RHMXXJGYXNZAPX-UHFFFAOYSA-N","ExactMass":"270.05282342","MonoisotopicMass":"270.05282342","TPSA":94.8,"Charge":0,"HBondDonorCount":3,"HBondAcceptorCount":5,"RotatableBondCount":0,"HeavyAtomCount":20,"Title":"Emodin"}]}}