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3-methylmuconolactone

Properties

Image

Occurences in reactions

MNX_ID

MNXM3181

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₇H₇O₄

charge

-1

mass

155.03498

reference

InChIKey

GXEVIPDDAUJTCF-YFKPBYRVSA-M

InChI

InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)/p-1/t5-/m0/s1

SMILES

CC1=CC(=O)O[C@H]1CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-10824 metacycM:CPD-10824	3-methylmuconolactone 4-carboxymethyl-3-methylbut-2-en-1,4-olide
envipath:...40a914fa6698 envipathM:...40a914fa6698	3-Methylmuconolactone
seed.compound:cpd02776 seedM:cpd02776	3-Methylmuconolactone 3-methylmuconolactone 4-Carboxymethyl-3-methylbut-2-en-1,4-olide 4-carboxymethyl-3-methylbut-2-en-1,4-olide
kegg.compound:C04558 keggC:C04558	3-Methylmuconolactone 4-Carboxymethyl-3-methylbut-2-en-1,4-olide
CHEBI:57883 chebi:57883	4-carboxymethyl-3-methylbut-2-en-1,4-olide (3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate 2-(3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide anion 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1-)
CHEBI:16754 chebi:16754	4-carboxymethyl-3-methylbut-2-en-1,4-olide (3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetic acid 3-Methylmuconolactone 3-methylmuconolactone 4-Carboxymethyl-3-methylbut-2-en-1,4-olide 5-carboxymethyl-4-methylfuran-2(5H)-one
chebi:11970 chebi:1798 chebi:20328 keggC:M_C04558 seedM:M_cpd02776	secondary/obsolete/fantasy identifier