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CHEBI:152555 - (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one(1−)

ChEBI IDCHEBI:152555
ChEBI Name(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one(1−)
Stars
ASCII Name(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-)
DefinitionA phenolate anion resulting from the removal of a proton from the phenolic hydroxy group of (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. It is the major species at pH 7.3.
Last Modified4 June 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H14ClO4
Net Charge-1
Average Mass257.693
Monoisotopic Mass257.05861
SMILESCCCCCC(=O)c1c(O)cc([O-])c(Cl)c1O
InChIInChI=1S/C12H15ClO4/c1-2-3-4-5-7(14)10-8(15)6-9(16)11(13)12(10)17/h6,15-17H,2-5H2,1H3/p-1
InChIKeyOTRYFPNTAFPSBU-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one(1−) (CHEBI:152555) is a phenolate anion (CHEBI:50525)
(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one(1−) (CHEBI:152555) is conjugate base of (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one (CHEBI:153569)
Incoming Relation(s)
(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one (CHEBI:153569) is conjugate acid of (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one(1−) (CHEBI:152555)
IUPAC Name 
2-chloro-4-hexanoyl-3,5-dihydroxyphenolate
Synonyms  Source
Cl-THPH(1−)ChEBI
chloro-THPH(1−)ChEBI
UniProt Name  Source
(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-oneUniProt
Citations