{"PropertyTable":{"Properties":[{"CID":2353,"MolecularFormula":"C20H18NO4+","MolecularWeight":"336.4","SMILES":"COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC","ConnectivitySMILES":"COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC","InChI":"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1","InChIKey":"YBHILYKTIRIUTE-UHFFFAOYSA-N","ExactMass":"336.12358306","MonoisotopicMass":"336.12358306","TPSA":40.8,"Charge":1,"HBondDonorCount":0,"HBondAcceptorCount":4,"RotatableBondCount":2,"HeavyAtomCount":25,"Title":"Berberine"}]}}