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

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ChEBI Name (2,6-dihydroxyphenyl)acetic acid
ChEBI ID CHEBI:952
Definition A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 2- and 6-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H8O4
Net Charge 0
Average Mass 168.14670
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKey CROCAQYJJNCZQH-UHFFFAOYSA-N
SMILES OC(=O)Cc1c(O)cccc1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (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 (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 Xref Database
C06207 KEGG COMPOUND
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Registry Numbers Types Sources
6891610 Reaxys Registry Number Reaxys
6891610 Beilstein Registry Number Beilstein
Last Modified
15 July 2011