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CHEBI:28642 - 5-chloro-2-hydroxymuconic semialdehyde

ChEBI IDCHEBI:28642
ChEBI Name5-chloro-2-hydroxymuconic semialdehyde
Stars
Secondary ChEBI IDsCHEBI:2042, CHEBI:20558
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H5ClO4
Net Charge0
Average Mass176.555
Monoisotopic Mass175.98764
SMILESO=C/C(Cl)=C\C=C(\O)C(=O)O
InChIInChI=1S/C6H5ClO4/c7-4(3-8)1-2-5(9)6(10)11/h1-3,9H,(H,10,11)/b4-1+,5-2+
InChIKeyBCEOKDQALORSLH-GRSRPBPQSA-N
ChEBI Ontology
Outgoing Relation(s)
5-chloro-2-hydroxymuconic semialdehyde (CHEBI:28642) is a muconic semialdehyde (CHEBI:38436)
5-chloro-2-hydroxymuconic semialdehyde (CHEBI:28642) is a organochlorine compound (CHEBI:36683)
Synonyms  Source
5-Chloro-2-hydroxymuconic semialdehydeKEGG COMPOUND
5-chloro-2-hydroxymuconic semialdehydeChEBI
Manual XrefsDatabases
C07089KEGG COMPOUND
C07089KEGG COMPOUND
c0300UM-BBD