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:	87
	Name:	Methyl marasmate
	Description:
	Labels:
	CAS:	2213-00-5
	InChi Code:	InChI=1S/C16H20O4/c1-14(2)5-10-4-11(7-17)15(9-18)8-16(15,12(10)6-14)13(19)20-3/h4,7,9-10,12H,5-6,8H2,1-3H3

Properties

AMES: Ames test mutagenicity class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)