InChI
1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3
InChI key
HSMPDPBYAYSOBC-UHFFFAOYSA-N
SMILES string
COc1c2OC(C)=CC(=O)c2c(OC)c3ccoc13
assay
98%
bp
180-200 °C/0.05 mmHg (lit.)
mp
150-154 °C (lit.)
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Denis Fourches et al.
Chemical research in toxicology, 23(1), 171-183 (2009-12-18)
Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this
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