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CHEBI:81659 - 3,5-Dichloro-2-methylmuconolactone

ChEBI IDCHEBI:81659
ChEBI Name3,5-Dichloro-2-methylmuconolactone
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DownloadsMolfile
FormulaC7H6Cl2O4
Net Charge0
Average Mass225.027
Monoisotopic Mass223.96431
SMILESCC1=C(Cl)C(C(Cl)C(=O)O)OC1=O
InChIInChI=1S/C7H6Cl2O4/c1-2-3(8)5(13-7(2)12)4(9)6(10)11/h4-5H,1H3,(H,10,11)
InChIKeyLQQCBKRSWIGKFK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,5-Dichloro-2-methylmuconolactone (CHEBI:81659) is a halo fatty acid (CHEBI:60692)
Manual XrefsDatabases
C18308KEGG COMPOUND