Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

Compound

	ID:	225
	Name:	Acetylmerulidial
	Description:
	Labels:
	CAS:	108893-54-5
	InChi Code:	InChI=1S/C17H22O4/c1-10(20)21-14-12-6-15(2,3)5-11(12)13(7-18)17(9-19)8-16(14,17)4/h7,9,12,14H,5-6,8H2,1-4H3/t12-,14+,16+,17+/m1/s1

Properties

MCGM: Mammalian cell gene mutation test class

Value	Source or prediction
non-mutagen	experimental value
non-mutagen	Eq5: Model for α,β-unsaturated carbonyl compounds (Training set)