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CHEBI:86006 - 6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoic acid

ChEBI IDCHEBI:86006
ChEBI Name6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoic acid
Stars
ASCII Name6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoic acid
DefinitionAn oxo monocarboxylic acid that is 3,8,8-trichloroocta-2,4,7-trienoic acid substituted by a 4-chlorophenyl group at position 7, a hydroxy group at position 2 and an oxo group at position 6.
Last Modified16 June 2015
Submitternamrata
DownloadsMolfile
FormulaC14H8Cl4O4
Net Charge0
Average Mass382.026
Monoisotopic Mass379.91767
SMILESO=C(/C=C/C(Cl)=C(\O)C(=O)O)C(=C(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl4O4/c15-8-3-1-7(2-4-8)11(13(17)18)10(19)6-5-9(16)12(20)14(21)22/h1-6,20H,(H,21,22)/b6-5+,12-9+
InChIKeyUTGDEXKGRFRGPM-HFACTSAFSA-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)
6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoic acid (CHEBI:86006) is a enol (CHEBI:33823)
6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoic acid (CHEBI:86006) is a monochlorobenzenes (CHEBI:83403)
6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoic acid (CHEBI:86006) is a oxo monocarboxylic acid (CHEBI:35871)
6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoic acid (CHEBI:86006) is conjugate acid of 6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate (CHEBI:2226)
Incoming Relation(s)
6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate (CHEBI:2226) is conjugate base of 6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoic acid (CHEBI:86006)
IUPAC Name 
(2E,4E)-3,8,8-trichloro-7-(4-chlorophenyl)-2-hydroxy-6-oxoocta-2,4,7-trienoic acid
Manual XrefsDatabases
C06645KEGG COMPOUND