EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:15941 - 2,3-dihydroxy-2,3-dihydrobenzoic acid

Default Structure
ChEBI IDCHEBI:15941
ChEBI Name2,3-dihydroxy-2,3-dihydrobenzoic acid
Stars
DefinitionA cyclohexadienecarboxylic acid having the C=C bonds at the 1- and 3-positions, the carboxylic acid at the 1-position and two hydroxy substituents at the 5- and 6-positions.
Secondary ChEBI IDsCHEBI:877, CHEBI:11420, CHEBI:11423, CHEBI:19311
Last Modified21 January 2016
DownloadsMolfile
FormulaC7H8O4
Net Charge0
Average Mass156.137
Monoisotopic Mass156.04226
SMILESO=C(O)C1=CC=CC(O)C1O
InChIInChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)
InChIKeyINCSWYKICIYAHB-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)
2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:15941) is a cyclohexadienecarboxylic acid (CHEBI:23468)
2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:15941) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:15941) is conjugate acid of 2,3-dihydroxy-2,3-dihydrobenzoate (CHEBI:57576)
Incoming Relation(s)
2,3-dihydroxy-2,3-dihydrobenzoyl-CoA (CHEBI:49178) has functional parent 2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:15941)
(2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48969) is a 2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:15941)
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48968) is a 2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:15941)
2,3-dihydroxy-2,3-dihydrobenzoate (CHEBI:57576) is conjugate base of 2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:15941)
IUPAC Name 
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid