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CHEBI:952 - (2,6-dihydroxyphenyl)acetic acid

ChEBI IDCHEBI:952
ChEBI Name(2,6-dihydroxyphenyl)acetic acid
Stars
DefinitionA dihydroxyphenylacetic acid having the two hydroxy substituents located at the 2- and 6-positions.
Last Modified15 July 2011
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESO=C(O)Cc1c(O)cccc1O
InChIInChI=1S/C8H8O4/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKeyCROCAQYJJNCZQH-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)
(2,6-dihydroxyphenyl)acetic acid (CHEBI:952) has functional parent acetic acid (CHEBI:15366)
(2,6-dihydroxyphenyl)acetic acid (CHEBI:952) is a dihydroxyphenylacetic acid (CHEBI:61409)
(2,6-dihydroxyphenyl)acetic acid (CHEBI:952) is conjugate acid of (2,6-dihydroxyphenyl)acetate (CHEBI:28440)
Incoming Relation(s)
(2,6-dihydroxyphenyl)acetate (CHEBI:28440) is conjugate base of (2,6-dihydroxyphenyl)acetic acid (CHEBI:952)
IUPAC Name 
(2,6-dihydroxyphenyl)acetic acid
Manual XrefsDatabases
C06207KEGG COMPOUND
Registry NumbersSources
Reaxys:6891610Reaxys