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CHEBI:80409 - 3-Chloro-2-hydroxymuconic semialdehyde

ChEBI IDCHEBI:80409
ChEBI Name3-Chloro-2-hydroxymuconic semialdehyde
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DownloadsMolfile
FormulaC6H5ClO4
Net Charge0
Average Mass176.555
Monoisotopic Mass175.98764
SMILESO=C/C=C\C(Cl)=C(\O)C(=O)O
InChIInChI=1S/C6H5ClO4/c7-4(2-1-3-8)5(9)6(10)11/h1-3,9H,(H,10,11)/b2-1-,5-4-
InChIKeyJLQFJRRWDWBGRV-OIFXTYEKSA-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-Chloro-2-hydroxymuconic semialdehyde (CHEBI:80409) is a medium-chain fatty acid (CHEBI:59554)
Manual XrefsDatabases
C16266KEGG COMPOUND